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Petrography, age, and paleomagnetism of basalt lava flows in coreholes Well 80, NRF 89-04, NRF 89-05, and ICPP 123, Idaho National Engineering Laboratory
Lanphere, M.A.; Champion, D.E.; Kuntz, M.A.
The petrography, age, and paleomagnetism were determined on basalt from 23 lava flows comprising about 1200 feet of core from four coreholes in the Idaho National Engineering Laboratory (ML). The four coreholes are located in the southwestern part of the INEL. Paleomagnetic measurements were made on 192 samples of basalt, and K-Ar ages were measured on 19 basalt samples. All of the samples have normal magnetic polarity and were erupted during the Brunhes Normal Polarity Epoch. Basalt lava flows in ICPP 123 can be satisfactorily correlated with lava flows in the previously studied corehole at Site E, but correlations cannot be made with confidence between ICPP 123 and the other three coreholes studied in this investigation.
Analytical-Numerical Modeling Of Komatiite Lava Emplacement And...
submarine tuff. Flow distances must have been long (tens to hundreds of kilometers) and flow volumes must have been very high (hundreds to thousands of km3). Lava...
Petrography, age, and paleomagnetism of basaltic lava flows in coreholes at Test Area North (TAN), Idaho National Engineering Laboratory
Lanphere, M.A.; Champion, D.E.; Kuntz, M.A.
The petrography, age, and paleomagnetism were determined on basalt from 21 lava flows comprising about 1,700 feet of core from two coreholes (TAN CH No. 1 and TAN CH No. 2) in the Test Area North (TAN) area of the Idaho National Engineering Laboratory (INEL). Paleomagnetic studies were made on two additional cores from shallow coreholes in the TAN area. K-Ar ages and paleomagnetism also were determined on nearby surface outcrops of Circular Butte. Paleomagnetic measurements were made on 416 samples from four coreholes and on a single site in surface lava flows of Circular Butte. K-Ar ages were measured on 9 basalt samples from TAN CH No. 1 and TAN CH No. 2 and one sample from Circular Butte. K-Ar ages ranged from 1.044 Ma to 2.56 Ma. All of the samples have reversed magnetic polarity and were erupted during the Matuyama Reversed Polarity Epoch. The purpose of investigations was to develop a three-dimensional stratigraphic framework for geologic and hydrologic studies including potential volcanic hazards to facilities at the INEL and movement of radionuclides in the Snake River Plain aquifer.
Basaltic island sand provenance
Marsaglia, K.M. . Dept. of Geological Sciences)
The Hawaiian Islands are an ideal location to study basaltic sand provenance in that they are a series of progressively older basaltic shield volcanoes with arid to humid microclimates. Sixty-two sand samples were collected from beaches on the islands of Hawaii, Maui, Oahu and Kauai and petrographically analyzed. The major sand components are calcareous bioclasts, volcanic lithic fragments, and monomineralic grains of dense minerals and plagioclase. Proportions of these components vary from island to island, with bioclastic end members being more prevalent on older islands exhibiting well-developed fringing reef systems and volcanic end members more prevalent on younger, volcanically active islands. Climatic variations across the island of Hawaii are reflected in the percentage of weathered detritus, which is greater on the wetter, northern side of the island. The groundmass of glassy, basaltic lithics is predominantly black tachylite, with lesser brown sideromelane; microlitic and lathwork textures are more common than holohyaline vitric textures. Other common basaltic volcanic lithic fragments are holocrystalline aggregates of silt-sized pyroxene or olivine, opaque minerals and plagioclase. Sands derived from alkalic lavas are texturally and compositionally indistinguishable from sands derived from tholeiitic lavas. Although Hawaiian basaltic sands overlap in composition with magmatic arc-derived sands in terms of their relative QFL, QmPK and LmLvLs percentages, they are dissimilar in that they lack felsic components and are more enriched in lathwork volcanic lithic fragments, holocrystalline volcanic lithic fragments, and dense minerals.
Lava Dome | Open Energy Information
Horst and Graben Shield Volcano Flat Lava Dome Stratovolcano Cinder Cone Caldera Depression Resurgent Dome Complex "Volcanic or lava domes are formed by relatively small,...
Lava Hot Springs Pool & Spa Low Temperature Geothermal Facility...
Lava Hot Springs Pool & Spa Low Temperature Geothermal Facility Jump to: navigation, search Name Lava Hot Springs Pool & Spa Low Temperature Geothermal Facility Facility Lava Hot...
Ancient Lava Flows Trap CO2 for Long-Term Storage in Big Sky Injection
Broader source: Energy.gov [DOE]
How can a prehistoric volcanic eruption help us reduce the amount of CO2 released into the atmosphere today? The answer is found in the basalt formations created by the lava – formations that can be used as sites for injecting carbon dioxide (CO2) captured from industrial sources in a process called carbon capture and storage. The Big Sky Carbon Sequestration Partnership recently injected 1,000 metric tons of CO2 into the Grande Ronde Basalt Formation in eastern Washington. This first-of-its kind injection is part of research meant to determine if basalt formations could provide a long-term solution for storing CO2, a potent greenhouse gas.
Lava Hot Springs Space Heating Low Temperature Geothermal Facility...
Space Heating Low Temperature Geothermal Facility Jump to: navigation, search Name Lava Hot Springs Space Heating Low Temperature Geothermal Facility Facility Lava Hot Springs...
Injection and Monitoring at the Wallula Basalt Pilot Project
McGrail, B. Peter; Spane, Frank A.; Amonette, James E.; Thompson, Christopher J.; Brown, Christopher F.
Continental flood basalts represent one of the largest geologic structures on earth but have received comparatively little attention for geologic storage of CO2. Flood basalt lava flows have flow tops that are porous, permeable, and have large potential capacity for storage of CO2. In appropriate geologic settings, interbedded sediment layers and dense low-permeability basalt rock flow interior sections may act as effective seals allowing time for mineralization reactions to occur. Previous laboratory experiments showed the relatively rapid chemical reaction of CO2-saturated pore water with basalts to form stable carbonate minerals. However, recent laboratory tests with water-saturated supercritical CO2 show that mineralization reactions occur in this phase as well, providing a second and potentially more important mineralization pathway than was previously understood. Field testing of these concepts is proceeding with drilling of the world's first supercritical CO2 injection well in flood basalt being completed in May 2009 near the township of Wallula in Washington State and corresponding CO2 injection permit granted by the State of Washington in March 2011. Injection of a nominal 1000 MT of CO2 was completed in August 2013 and site monitoring is in progress. Well logging conducted immediately after injection termination confirmed the presence of CO2 predominantly within the upper flow top region, and showed no evidence of vertical CO2 migration outside the well casing. Shallow soil gas samples collected around the injection well show no evidence of leakage and fluid and gas samples collected from the injection zone show strongly elevated concentrations of Ca, Mg, Mn, and Fe and 13C/18O isotopic shifts that are consistent with basalt-water chemical reactions. If proven viable by this field test and others that are in progress or being planned, major flood basalts in the U.S., India, and perhaps Australia would provide significant additional CO2 storage capacity and additional geologic sequestration options in regions of these countries where conventional storage options are limited.
Injection and Monitoring at the Wallula Basalt Pilot Project
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
McGrail, B. Peter; Spane, Frank A.; Amonette, James E.; Thompson, Christopher J.; Brown, Christopher F.
Continental flood basalts represent one of the largest geologic structures on earth but have received comparatively little attention for geologic storage of CO2. Flood basalt lava flows have flow tops that are porous, permeable, and have large potential capacity for storage of CO2. In appropriate geologic settings, interbedded sediment layers and dense low-permeability basalt rock flow interior sections may act as effective seals allowing time for mineralization reactions to occur. Previous laboratory experiments showed the relatively rapid chemical reaction of CO2-saturated pore water with basalts to form stable carbonate minerals. However, recent laboratory tests with water-saturated supercritical CO2 show thatmore » mineralization reactions occur in this phase as well, providing a second and potentially more important mineralization pathway than was previously understood. Field testing of these concepts is proceeding with drilling of the world's first supercritical CO2 injection well in flood basalt being completed in May 2009 near the township of Wallula in Washington State and corresponding CO2 injection permit granted by the State of Washington in March 2011. Injection of a nominal 1000 MT of CO2 was completed in August 2013 and site monitoring is in progress. Well logging conducted immediately after injection termination confirmed the presence of CO2 predominantly within the upper flow top region, and showed no evidence of vertical CO2 migration outside the well casing. Shallow soil gas samples collected around the injection well show no evidence of leakage and fluid and gas samples collected from the injection zone show strongly elevated concentrations of Ca, Mg, Mn, and Fe and 13C/18O isotopic shifts that are consistent with basalt-water chemical reactions. If proven viable by this field test and others that are in progress or being planned, major flood basalts in the U.S., India, and perhaps Australia would provide significant additional CO2 storage capacity and additional geologic sequestration options in regions of these countries where conventional storage options are limited.« less
Seismic Structure And Seismicity Of The Cooling Lava Lake Of...
Of The Cooling Lava Lake Of Kilauea Iki, Hawaii Abstract The use of multiple methods is indispensable for the determination of the seismic properties of a complex body...
Laboratory Shock Experiments on Basalt - Iron Sulfate Mixes at...
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Laboratory Shock Experiments on Basalt - Iron Sulfate Mixes at 40 - 50 GPa and their ... Title: Laboratory Shock Experiments on Basalt - Iron Sulfate Mixes at 40 - 50 GPa and ...
A Pliocene Shoaling Basaltic Seamount- Ba Volcanic Group At Rakiraki...
or temporary storage in shoreline or shallow water environments prior to redeposition. Red, oxidised lava and scoria clasts in bedded breccia and conglomerate also imply that the...
Combined U-Th/He and 40Ar/39Ar geochronology of post-shield lavas from the Mauna Kea and Kohala volcanoes, Hawaii
Aciego, S.M.; Jourdan, F.; DePaolo, D.J.; Kennedy, B.M.; Renne, P.R.; Sims, K.W.W.
Late Quaternary, post-shield lavas from the Mauna Kea and Kohala volcanoes on the Big Island of Hawaii have been dated using the {sup 40}Ar/{sup 39}Ar and U-Th/He methods. The objective of the study is to compare the recently demonstrated U-Th/He age method, which uses basaltic olivine phenocrysts, with {sup 40}Ar/{sup 39}Ar ages measured on groundmass from the same samples. As a corollary, the age data also increase the precision of the chronology of volcanism on the Big Island. For the U-Th/He ages, U, Th and He concentrations and isotopes were measured to account for U-series disequilibrium and initial He. Single analyses U-Th/He ages for Hamakua lavas from Mauna Kea are 87 {+-} 40 ka to 119 {+-} 23 ka (2{sigma} uncertainties), which are in general equal to or younger than {sup 40}Ar/{sup 39}Ar ages. Basalt from the Polulu sequence on Kohala gives a U-Th/He age of 354 {+-} 54 ka and a {sup 40}Ar/{sup 39}Ar age of 450 {+-} 40 ka. All of the U-Th/He ages, and all but one spurious {sup 40}Ar/{sup 39}Ar ages conform to the previously proposed stratigraphy and published {sup 14}C and K-Ar ages. The ages also compare favorably to U-Th whole rock-olivine ages calculated from {sup 238}U - {sup 230}Th disequilibria. The U-Th/He and {sup 40}Ar/{sup 39}Ar results agree best where there is a relatively large amount of radiogenic {sup 40}Ar (>10%), and where the {sup 40}Ar/{sup 36}Ar intercept calculated from the Ar isochron diagram is close to the atmospheric value. In two cases, it is not clear why U-Th/He and {sup 40}Ar/{sup 39}Ar ages do not agree within uncertainty. U-Th/He and {sup 40}Ar/{sup 39}Ar results diverge the most on a low-K transitional tholeiitic basalt with abundant olivine. For the most alkalic basalts with negligible olivine phenocrysts, U-Th/He ages were unattainable while {sup 40}Ar/{sup 39}Ar results provide good precision even on ages as low as 19 {+-} 4 ka. Hence, the strengths and weaknesses of the U-Th/He and {sup 40}Ar/{sup 39}Ar methods are complimentary for basalts with ages of order 100-500 ka.
Physical Constraints on Geologic CO2 Sequestration in Low-Volume Basalt Formations
Ryan M. Pollyea; Jerry P. Fairley; Robert K. Podgorney; Travis L. McLing
Deep basalt formations within large igneous provinces have been proposed as target reservoirs for carbon capture and sequestration on the basis of favorable CO2-water-rock reaction kinetics that suggest carbonate mineralization rates on the order of 102�103 d. Although these results are encouraging, there exists much uncertainty surrounding the influence of fracture-controlled reservoir heterogeneity on commercial-scale CO2 injections in basalt formations. This work investigates the physical response of a low-volume basalt reservoir to commercial-scale CO2 injections using a Monte Carlo numerical modeling experiment such that model variability is solely a function of spatially distributed reservoir heterogeneity. Fifty equally probable reservoirs are simulated using properties inferred from the deep eastern Snake River Plain aquifer in southeast Idaho, and CO2 injections are modeled within each reservoir for 20 yr at a constant mass rate of 21.6 kg s�1. Results from this work suggest that (1) formation injectivity is generally favorable, although injection pressures in excess of the fracture gradient were observed in 4% of the simulations; (2) for an extensional stress regime (as exists within the eastern Snake River Plain), shear failure is theoretically possible for optimally oriented fractures if Sh is less than or equal to 0.70SV; and (3) low-volume basalt reservoirs exhibit sufficient CO2 confinement potential over a 20 yr injection program to accommodate mineral trapping rates suggested in the literature.
Repository site definition in basalt: Pasco Basin, Washington
Guzowski, R.V.; Nimick, F.B.; Muller, A.B.
Discussion of the regional setting, geology, hydrology, and geochemistry of the Pasco Basin are included in this report. Pasco basin is a structural and topographic basin of approximately 2000 mi/sup 2/ (5180 km/sup 2/) located within the Yakima Fold Belt Subprovince of the Columbia Plateau. The stratigraphic sequence within the basin consists of an undetermined thickness of lower Miocene and younger flood basalts with interbedded and overlying sedimentary units. This sequence rests upon a basement of probably diverse rock types that may range in age from precambrian through early Tertiary. Although a large amount of information is available on the hydrology of the unconfined aquifer system, ground-water flow within the basin is, in general, poorly understood. Recharge areas for the Mabton interbed and the Saddle Mountains Formation are the highlands surrounding the basin with the flow for these units toward Gable Butte - Gable Mountain and Lake Wallula. Gable Butte - Gable Mountain probably is a ground-water sink, although the vertical flow direction in this zone is uncertain. The amount of upward vertical leakage from the Saddle Mountains Formation into the overlying sediments or to the Columbia River is unknown. Units underlying the Mabton interbed may have a flow scheme similar to those higher units or a flow scheme dominated by interbasin flow. Upward vertical leakage either throughout the basin, dominantly to the Columbia River, or dominantly to Lake Wallula has been proposed for the discharge of the lower units. None of these proposals is verified. The lateral and vertical distribution of major and minor ions in solution, Eh and pH, and ion exchange between basalt and ground-water are not well defined for the basin. Changes in the redox potential from the level of the subsurface facility to the higher stratigraphic levels along with the numerous other factors influencing K/sub d/, result in a poor understanding of the retardation process.
The Cobb-Eickelberg seamount chain: Hotspot volcanism with mid-ocean ridge basalt affinity
Desonie, D.L.; Duncan, R.A. )
Cobb hotspot, currently located beneath Axial seamount on the Juan de Fuca ridge, has the temporal but not the isotopic characteristics usually attributed to a mantle plume. The earlier volcanic products of the hotspot, form eight volcanoes in the Cobb-Eickelberg seamount (CES) chain, show a westward age progression away from the hotspot and a westward increase in the age difference between the seamounts and the crust on which they formed. These results are consistent with movement of the Pacific plate over a fixed Cobb hotspot and eventual encroachment by the westwardly migrating Juan de Fuca ridge. CES lavas are slightly enriched in alkalies and incompatible elements relative to those of the Juan de Fuca ridge but they have Sr, Nd, and Pb isotopic compositions virtually identical to those found along the ridge. Therefore, Cobb hotspot is a stationary, upper mantle melting anomaly whose volcanic products show strong mid-ocean ridge basalt (MORB) affinity. These observations can be explained by low degrees of partial melting of entrained heterogeneous upper mantle MORB source material within a thermally driven lower mantle diapir or by an intrinsic MORB-like composition of the deeper mantle source region from which northeast Pacific plumes rise.
Shock Experiments on Basalt - Ferric Sulfate Mixes at 21 GPa...
Office of Scientific and Technical Information (OSTI)
Title: Shock Experiments on Basalt - Ferric Sulfate Mixes at 21 GPa ; 49 GPa and their Relevance to Martian Meteorite Impact Glasses Authors: Rao, M.N. ; Ross, D.K. ; See, T.H. ; ...
Insulation from basaltic stamp sand. Final technical report
Williams, F. D.
A Midwest Appropriate Technology Grant was awarded to determine the technical and economic feasibility of producing mineral-fiber insulation directly from extensive deposits of basaltic sand produced during former mining and milling operations in the Keweenaw Peninsula region of Michigan's Upper Peninsula. The amounts of local basaltic sands available and representative chemical compositions were determined. The variation of viscosity with temperature and chemical composition was estimated. Samples were melted and either pulled or blown into fiber. In all cases fiber could be made with a reasonable tensile strength to ensure usefulness. It was concluded that it was technically feasible to produce fibers from basaltic stamp sands of the Upper Peninsula of Michigan. A technical feasibility study using published data, a cost and design analysis of a basalt fiber production plant, a market survey of fiber needs, and an economic analysis for investing in a basalt fiber venture was undertaken. These studies concluded that the local production of basaltic insulation was both feasible and economically reasonable. It was suggested that the plant be located in a region of greater population density with lower utility costs. A representative one-third of these studies is included as appendices A, B, C, and D.
Breakthroughs in Seismic and Borehole Characterization of Basalt Sequestration Targets
Sullivan, E. C.; Hardage, Bob A.; McGrail, B. Peter; Davis, Klarissa N.
Mafic continental flood basalts form a globally important, but under-characterized CO2 sequestration target. The Columbia River Basalt Group (CRBG) in the northwestern U.S. is up to 5 km thick and covers over 168,000 km2. In India, flood basalts are 3 km thick and cover greater than 500,000 km2. Laboratory experiments demonstrate that the CRBG and other basalts react with formation water and super critical (sc) CO2 to precipitate carbonates, thus adding a potential mineral trapping mechanism to the standard trapping mechanisms of most other types of CO2 sequestration reservoirs. Brecciated tops of individual basalt flows in the CRBG form regional aquifers that locally have greater than 30% porosity and three Darcies of permeability. Porous flow tops are potential sites for sequestration of gigatons of scCO2 in areas where the basalts contain unpotable water and are at depths greater than 800 m. In this paper we report on the U.S. DOE Big Sky Regional Carbon Sequestration Partnership surface seismic and borehole geophysical characterization that supports a field test of capacity, integrity, and geochemical reactivity of CRBG reservoirs in eastern Washington, U.S.A. Traditional surface seismic methods have had little success in imaging basalt features in on-shore areas where the basalt is thinly covered by sediment. Processing of the experimental 6.5 km, 5 line 3C seismic swath included constructing an elastic wavefield model, identifying and separating seismic wave modes, and processing the swath as a single 2D line. Important findings include: (1) a wide variety of shear wave energy modes swamp the P-wave seismic records; (2) except at very short geophone offsets, ground roll overprints P-wave signal; and (3) because of extreme velocity contrasts, P-wave events are refracted at incidence angles greater than 7-15 degrees. Subsequent removal of S-wave and other noise during processing resulted in tremendous improvement in image quality. The application of wireline logging to onshore basalts is underexploited. Full waveform sonic logs and resistivity-based image logs acquired in the 1250 m basalt pilot borehole provide powerful tools for evaluating geomechanics and lithofacies. The azimuth of the fast shear wave is parallel to SH and records the changes through time in basalt flow and tectonic stress tensors. Combined with image log data, azimuthal S-wave data provide a borehole technique for assessing basalt emplacement and cooling history that is related to the development of reservoirs and seals, as well as the orientation of tectonic stresses and fracture systems that could affect CO2 transport or containment. Reservoir and seal properties are controlled by basalt lithofacies, and rescaled P- and S- wave slowness curves, integrated with image logs, provide a tool for improved recognition of subsurface lithofacies.
Preliminary Hydrogeologic Characterization Results from the Wallula Basalt Pilot Study
B.P. McGrail; E. C. Sullivan; F. A. Spane; D. H. Bacon; G. Hund; P. D. Thorne; C. J. Thompson; S. P. Reidel; F. S. Colwell
The DOE's Big Sky Regional Carbon Sequestration Partnership has completed drilling the first continental flood basalt sequestration pilot borehole to a total depth (TD) of 4,110 feet on the Boise White Paper Mill property at Wallula, Washington. Site suitability was assessed prior to drilling by the 2007-2008 acquisition, processing and analysis of a four-mile, five-line three component seismic swath, which was processed as a single data-dense line. Analysis of the seismic survey data indicated a composite basalt formation thickness of {approx}8,000 feet and absence of major geologic structures (i.e., faults) along the line imaged by the seismic swath. Drilling of Wallula pilot borehole was initiated on January 13, 2009 and reached TD on April 6, 2009. Based on characterization results obtained during drilling, three basalt breccia zones were identified between the depth interval of 2,716 and 2,910 feet, as being suitable injection reservoir for a subsequent CO2 injection pilot study. The targeted injection reservoir lies stratigraphically below the massive Umtanum Member of the Grande Ronde Basalt, whose flow-interior section possesses regionally recognized low-permeability characteristics. The identified composite injection zone reservoir provides a unique and attractive opportunity to scientifically study the reservoir behavior of three inter-connected reservoir intervals below primary and secondary caprock confining zones. Drill cuttings, wireline geophysical logs, and 31one-inch diameter rotary sidewall cores provided geologic data for characterization of rock properties. XRF analyses of selected rock samples provided geochemical characterizations of the rocks and stratigraphic control for the basalt flows encountered by the Wallula pilot borehole. Based on the geochemical results, the pilot borehole was terminated in the Wapshilla Ridge 1 flow of the Grande Ronde Basalt Formation. Detailed hydrologic test characterizations of 12 basalt interflow reservoir zones and 3 flow-interior/caprock intervals were performed during drilling and immediately following reaching the final borehole drilling depth (i.e., 4,110 ft). In addition, six of the 12 basalt interflow zones were selected for detailed hydrochemical characterization. Results from the detailed hydrologic test characterization program provided the primary information on basalt interflow zone transmissivity/injectivity, and caprock permeability characteristics.
Harnessing Sun, Wind and Lava for Islands' Energy Needs | Department of
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Energy Sun, Wind and Lava for Islands' Energy Needs Harnessing Sun, Wind and Lava for Islands' Energy Needs November 3, 2010 - 10:56am Addthis Niketa Kumar Niketa Kumar Public Affairs Specialist, Office of Public Affairs Last month, the Energy Blog featured a read out of Assistant Secretary Patricia Hoffman's trip to Honolulu and the Hawaii Clean Energy Initiative (HCEI). Bolstered by HCEI, Hawaii is harnessing its indigenous sources of energy to achieve 70 percent clean energy usage by
Nuclear waste package materials testing report: basaltic and tuffaceous environments
Bradley, D.J.; Coles, D.G.; Hodges, F.N.; McVay, G.L.; Westerman, R.E.
The disposal of high-level nuclear wastes in underground repositories in the continental United States requires the development of a waste package that will contain radionuclides for a time period commensurate with performance criteria, which may be up to 1000 years. This report addresses materials testing in support of a waste package for a basalt (Hanford, Washington) or a tuff (Nevada Test Site) repository. The materials investigated in this testing effort were: sodium and calcium bentonites and mixtures with sand or basalt as a backfill; iron and titanium-based alloys as structural barriers; and borosilicate waste glass PNL 76-68 as a waste form. The testing also incorporated site-specific rock media and ground waters: Reference Umtanum Entablature-1 basalt and reference basalt ground water, Bullfrog tuff and NTS J-13 well water. The results of the testing are discussed in four major categories: Backfill Materials: emphasizing water migration, radionuclide migration, physical property and long-term stability studies. Structural Barriers: emphasizing uniform corrosion, irradiation-corrosion, and environmental-mechanical testing. Waste Form Release Characteristics: emphasizing ground water, sample surface area/solution volume ratio, and gamma radiolysis effects. Component Compatibility: emphasizing solution/rock, glass/rock, glass/structural barrier, and glass/backfill interaction tests. This area also includes sensitivity testing to determine primary parameters to be studied, and the results of systems tests where more than two waste package components were combined during a single test.
Basalt Waste Isolation Project. Annual report, fiscal year 1980
Not Available
During this fiscal year the information available in the fields of geology and hydrology of the Columbia Plateau was consolidated and two reports were issued summarizing this information. In addition, the information on engineered barriers was consolidated and a report summarizing the research to date on waste package development and design of borehole seals was prepared. The waste package studies, when combined with the hydrologic integration, revealed that even under extreme disruptive conditions, a repository in basalt with appropriately designed waste packages can serve as an excellent barrier for containment of radionuclides for the long periods of time required for waste isolation. On July 1, 1980, the first two heater tests at the Near-Surface Test Facility were started and have been successfully operated to this date. The papers on the Near-Surface Test Facility section of this report present the results of the equipment installed and the preliminary results of the testing. In October 1979, the US Department of Energy selected the joint venture of Kaiser Engineers/Parsons Brinckerhoff Quade and Douglas, Inc., to be the architect-engineer to produce a conceptual design of a repository in basalt. During the year, this design has progressed and concept selection has now been completed. This annual report presents a summary of the highlights of the work completed during fiscal year 1980. It is intended to supplement and summarize the nearly 200 papers and reports that have been distributed to date as a part of the Basalt Waste Isolation Project studies.
Laboratory Shock Experiments on Basalt - Iron Sulfate Mixes at ~ 40 - 50
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GPa and their Relevance to the Martian Reolith Component Present in Shergotties (Conference) | SciTech Connect Laboratory Shock Experiments on Basalt - Iron Sulfate Mixes at ~ 40 - 50 GPa and their Relevance to the Martian Reolith Component Present in Shergotties Citation Details In-Document Search Title: Laboratory Shock Experiments on Basalt - Iron Sulfate Mixes at ~ 40 - 50 GPa and their Relevance to the Martian Reolith Component Present in Shergotties Basaltic shergottites such as
Engineered barrier development for a nuclear waste repository in basalt: an integration of current knowledge
Smith, M.J.
This document represents a compilation of data and interpretive studies conducted as part of the engineered barriers program of the Basalt Waste Isolation Project. The overall objective of these studies is to provide information on barrier system designs, emplacement and isolation techniques, and chemical reactions expected in a nuclear waste repository located in the basalts underlying the Hanford Site within the state of Washington. Backfills, waste-basalt interactions, sorption, borehole plugging, etc., are among the topics discussed.
Final Reclamation Report: Basalt Waste Isolation Project exploratory shaft site
Brandt, C.A.; Rickard, W.H. Jr.
The restoration of areas disturbed by activities of the Basalt Waste Isolation Project (BWIP) constitutes a unique operation at the US Department of Energy's (DOE) Hanford Site, both from the standpoint of restoration objectives and the time frame for accomplishing these objectives. The BWIP reclamation program comprises three separate projects: borehole reclamation, Near Surface Test Facility (NSTF) reclamation, and Exploratory Shaft Facility (ESF) reclamation. The main focus of this report is on determining the success of the revegetation effort 1 year after work was completed. This report also provides a brief overview of the ESF reclamation program. 21 refs., 7 figs., 14 tabs.
Preliminary potentiometric map and flow dynamic characteristics for the upper-basalt confined aquifer system
Spane, F.A. Jr.; Raymond, R.G.
This report presents the first comprehensive Hanford Site-wide potentiometric map for the upper-basalt confined aquifer system (i.e., the upper Saddle Mountains Basalt). In constructing the potentiometric map, over forty on-site and off-site monitoring wells and boreholes were used. The potentiometric map developed for the upper-basalt confined aquifer is consistent with the areal head pattern indicated for the Mabton interbed, which is a deeper and more areally extensive confined aquifer underlying the Hanford Site. Salient features for the upper-basalt confined aquifer system potentiometric map are described.
Prokaryotic diversity, distribution, and insights into their role in biogeochemical cycling in marine basalts
Mason, Olivia U.; Di Meo-Savoie, Carol A.; Van Nostrand, Joy D.; Zhou, Jizhong; Fisk, Martin R.; Giovannoni, Stephen J.
We used molecular techniques to analyze basalts of varying ages that were collected from the East Pacific Rise, 9 oN, from the rift axis of the Juan de Fuca Ridge, and from neighboring seamounts. Cluster analysis of 16S rDNA Terminal Restriction Fragment Polymorphism data revealed that basalt endoliths are distinct from seawater and that communities clustered, to some degree, based on the age of the host rock. This age-based clustering suggests that alteration processes may affect community structure. Cloning and sequencing of bacterial and archaeal 16S rRNA genes revealed twelve different phyla and sub-phyla associated with basalts. These include the Gemmatimonadetes, Nitrospirae, the candidate phylum SBR1093 in the c, andin the Archaea Marine Benthic Group B, none of which have been previously reported in basalts. We delineated novel ocean crust clades in the gamma-Proteobacteria, Planctomycetes, and Actinobacteria that are composed entirely of basalt associated microflora, and may represent basalt ecotypes. Finally, microarray analysis of functional genes in basalt revealed that genes coding for previously unreported processes such as carbon fixation, methane-oxidation, methanogenesis, and nitrogen fixation are present, suggesting that basalts harbor previously unrecognized metabolic diversity. These novel processes could exert a profound influence on ocean chemistry.
Basalt Waste Isolation Project. Quarterly report, July 1, 1980-September 30, 1980
Deju, R.A.
This report presents the technical progress for the Basalt Waste Isolation Project for the fourth quarter of fiscal year 1980. The overall Basalt Waste Isolation Project is divided into the following principal work areas: systems integration; geosciences; hydrology; engineered barriers; near-surface test facility; engineering testing; and repository studies. Summaries of major accomplishments for each of these areas are reported.
Interim reclamation report: Basalt Waste Isolation Project exploration shaft site
Brandt, C.A.; Rickard, W.H. Jr.; Hefty, M.G.
In 1968, a program was started to assess the feasibility of storing Hanford Site defense waste in deep caverns constructed in basalt. This program was expanded in 1976 to include investigations of the Hanford Site as a potential location for a mined commercial nuclear waste repository. Extensive studies of the geotechnical aspects of the site were undertaken, including preparations for drilling a large diameter Exploratory Shaft. This report describes the development of the reclamation program for the Exploratory Shaft Facility, its implementation, and preliminary estimates of its success. The goal of the reclamation program is to return sites disturbed by the repository program as nearly as practicable to their original conditions using native plant species. 43 refs., 19 figs., 9 tabs.
Understanding heat and groundwater flow through continental flood basalt provinces: insights gained from alternative models of permeability/depth relationships for the Columbia Plateau, USA
Burns, Erick R.; Williams, Colin F.; Ingebritsen, Steven E.; Voss, Clifford I.; Spane, Frank A.; DeAngelo, Jacob
Heat-flow mapping of the western USA has identified an apparent low-heat-flow anomaly coincident with the Columbia Plateau Regional Aquifer System, a thick sequence of basalt aquifers within the Columbia River Basalt Group (CRBG). A heat and mass transport model (SUTRA) was used to evaluate the potential impact of groundwater flow on heat flow along two different regional groundwater flow paths. Limited in situ permeability (k) data from the CRBG are compatible with a steep permeability decrease (approximately 3.5 orders of magnitude) at 600–900 m depth and approximately 40°C. Numerical simulations incorporating this permeability decrease demonstrate that regional groundwater flow can explain lower-than-expected heat flow in these highly anisotropic (kx/kz ~ 104) continental flood basalts. Simulation results indicate that the abrupt reduction in permeability at approximately 600 m depth results in an equivalently abrupt transition from a shallow region where heat flow is affected by groundwater flow to a deeper region of conduction-dominated heat flow. Most existing heat-flow measurements within the CRBG are from shallower than 600 m depth or near regional groundwater discharge zones, so that heat-flow maps generated using these data are likely influenced by groundwater flow. Substantial k decreases at similar temperatures have also been observed in the volcanic rocks of the adjacent Cascade Range volcanic arc and at Kilauea Volcano, Hawaii, where they result from low-temperature hydrothermal alteration.
Natural Gas Storage in Basalt Aquifers of the Columbia Basin, Pacific Northwest USA: A Guide to Site Characterization
Reidel, Steve P.; Spane, Frank A.; Johnson, Vernon G.
This report provides the technical background and a guide to characterizing a site for storing natural gas in the Columbia River Basalt
Preconceptual systems and equipment for plugging of man-made accesses to a repository in basalt
Taylor, C.L.; O'Rourke, J.E.; Allirot, D.; O'Connor, K.
This report presents results of a study leading to preconceptual designs for plugging boreholes, shafts, and tunnels to a nuclear waste repository in basalt. Beginning design criteria include a list of preferred plug materials and plugging machines that were selected to suit the environmental conditions, and depths, diameters, and orientations of the accesses to a nuclear waste repository in the Columbia River basalts located in eastern Washington State. The environmental conditions are described. The fiscal year 1979-1980 Task II work is presented in two parts: preliminary testing of materials for plugging of man-made accesses to a repository in basalt (described in a separate report); and preconceptual systems and equipment for plugging of man-made accesses to a repository in basalt (described in this report). To fulfill the scope of the Task II work, Woodward-Clyde Consultants (WCC) was requested to: provide preconceptual systems for plugging boreholes, tunnels, and shafts in basalt; describe preconceptual borehole plugging equipment for placing the selected materials in man-made accesses; utilize the quality assurance program, program plan and schedule, and work plans previously developed for Task II; and prepare a preliminary report.
Modeling of the Sedimentary Interbedded Basalt Stratigraphy for the Idaho National Laboratory Probabilistic Seismic Hazard Analysis
Suzette Payne
This report summarizes how the effects of the sedimentary interbedded basalt stratigraphy were modeled in the probabilistic seismic hazard analysis (PSHA) of the Idaho National Laboratory (INL). Drill holes indicate the bedrock beneath INL facilities is composed of about 1.1 km of alternating layers of basalt rock and loosely consolidated sediments. Alternating layers of hard rock and "soft" loose sediments tend to attenuate seismic energy greater than uniform rock due to scattering and damping. The INL PSHA incorporated the effects of the sedimentary interbedded basalt stratigraphy by developing site-specific shear (S) wave velocity profiles. The profiles were used in the PSHA to model the near-surface site response by developing site-specific stochastic attenuation relationships.
Modeling of the Sedimentary Interbedded Basalt Stratigraphy for the Idaho National Laboratory Probabilistic Seismic Hazard Analysis
Suzette Payne
This report summarizes how the effects of the sedimentary interbedded basalt stratigraphy were modeled in the probabilistic seismic hazard analysis (PSHA) of the Idaho National Laboratory (INL). Drill holes indicate the bedrock beneath INL facilities is composed of about 1.1 km of alternating layers of basalt rock and loosely consolidated sediments. Alternating layers of hard rock and "soft" loose sediments tend to attenuate seismic energy greater than uniform rock due to scattering and damping. The INL PSHA incorporated the effects of the sedimentary interbedded basalt stratigraphy by developing site-specific shear (S) wave velocity profiles. The profiles were used in the PSHA to model the near-surface site response by developing site-specific stochastic attenuation relationships.
Basalt waste isolation project. Quarterly report, October 1, 1980-December 31, 1980
Deju, R.A.
In September 1977, the National Waste Terminal Storage Program was restructured to support investigations of two US DOE sites - Hanford and Nevada. The Basalt Waste Isolation Project within Rockwell Hanford Operations has been chartered with the responsibility of conducting these investigations. The overall Basalt Waste Isolation Project is divided into the following principal work areas: systems integration, geosciences, hydrology, engineered barriers, near-surface test facility, engineering testing, and repository studies. Summaries of major accomplishments for each of these areas are reported in this document.
Basalt waste isolation project. Quarterly report, April 1, 1981-June 30, 1981
Deju, R.A.
This document reports progress made in the Basalt Waste Isolation Project during the third quarter of fiscal year 1981. Efforts are described for the following programs of the project work breakdown structure: systems; waste package; site; repository; regulatory and institutional; test facilities; in situ test facilities.
Wellbore cement fracture evolution at the cement�basalt caprock interface during geologic carbon sequestration
Jung, Hun Bok; Kabilan, Senthil; Carson, James P.; Kuprat, Andrew P.; Um, Wooyong; Martin, Paul F.; Dahl, Michael E.; Kafentzis, Tyler A.; Varga, Tamas; Stephens, Sean A.; Arey, Bruce W.; Carroll, KC; Bonneville, Alain; Fernandez, Carlos A.
Composite Portland cement-basalt caprock cores with fractures, as well as neat Portland cement columns, were prepared to understand the geochemical and geomechanical effects on the integrity of wellbores with defects during geologic carbon sequestration. The samples were reacted with CO2-saturated groundwater at 50 �C and 10 MPa for 3 months under static conditions, while one cement-basalt core was subjected to mechanical stress at 2.7 MPa before the CO2 reaction. Micro-XRD and SEM-EDS data collected along the cement-basalt interface after 3-month reaction with CO2-saturated groundwater indicate that carbonation of cement matrix was extensive with the precipitation of calcite, aragonite, and vaterite, whereas the alteration of basalt caprock was minor. X-ray microtomography (XMT) provided three-dimensional (3-D) visualization of the opening and interconnection of cement fractures due to mechanical stress. Computational fluid dynamics (CFD) modeling further revealed that this stress led to the increase in fluid flow and hence permeability. After the CO2-reaction, XMT images displayed that calcium carbonate precipitation occurred extensively within the fractures in the cement matrix, but only partially along the fracture located at the cement-basalt interface. The 3-D visualization and CFD modeling also showed that the precipitation of calcium carbonate within the cement fractures after the CO2-reaction resulted in the disconnection of cement fractures and permeability decrease. The permeability calculated based on CFD modeling was in agreement with the experimentally determined permeability. This study demonstrates that XMT imaging coupled with CFD modeling represent a powerful tool to visualize and quantify fracture evolution and permeability change in geologic materials and to predict their behavior during geologic carbon sequestration or hydraulic fracturing for shale gas production and enhanced geothermal systems.
Intermediate-scale sodium-concrete reaction tests with basalt and limestone concrete
Hassberger, J.A.; Muhlestein, L.D.
Ten tests were performed to investigate the chemical reactions and rate and extent of attack between sodium and basalt and limestone concretes. Test temperatures ranged from 510 to 870/sup 0/C (950 to 1600/sup 0/F) and test times from 2 to 24 hours. Sodium hydroxide was added to some of the tests to assess the impact of a sodium hydroxide-aided reaction on the overall penetration characteristics. Data suggest that the sodium penetration of concrete surfaces is limited. Penetration of basalt concrete in the presence of sodium hydroxide is shown to be less severe than attack by the metallic sodium alone. Presence of sodium hydroxide changes the characteristics of sodium penetration of limestone concrete, but no major differences in bulk penetration were observed as compared to penetration by metallic sodium.
Tabulation and evaluation of ion exchange data on smectites, certain zeolites and basalt
Benson, L.V.
An extensive search of the literature has been made for ion exchange data on smectites, certain zeolites and basalt. The data are in the form of thermodynamic equilibrium constants, corrected selectivity coefficients, and distribution coefficients. Room temperature alkali and alkaline earth metal cation ion exchange data for smectites are extensive. Correlation between the exchange free energies of alkali metal cations on Camp Berteau montmorillonite values with their Debeye-Hueckel parameter was found. Significant differences in values of exchange constants for the same reaction on different smectites were noted. While this in part may be attributable to differences in experimental procedures, much of the variance is probably due to differences in charge densities and the effective field strengths of the smectites. Differences in field strength are related to the type and amount of substitution on intercrystalline octahedral and tetrahedral sites. Data on smectites suggest that cation exchange selectivities are very strong functions of temperature. Experiments on the exchange properties of clinoptilolite and mordenite have been generally confined to alkali and alkaline earth cations although data for certain transition metal ions are also available for synthetic mordenite. The temperature dependences of zeolite exchange selectivities remain largely unknown. Distribution coefficients for groundwater-basalt systems have been measured for a variety of elements at temperatures up to 150/sup 0/C. Steady state concentrations are often never achieved either from the sorption or the desorption side. Classical models of ion exchange have been applied successfully to zeolite and smectite exchange reactions. The sorption behavior of a basalt is better treated with models of the interface which take surface ionization and complexation into account.
Preliminary Analysis of Grande Ronde Basalt Formation Flow Top Transmissivity as it Relates to Assessment and Site Selection Applications for Fluid/Energy Storage and Sequestration Projects
Spane, Frank A.
Preliminary Analysis of Grande Ronde Basalt Formation Flow Top Transmissivity as it Relates to Assessment and Site Selection Applications for Fluid/Energy Storage and Sequestration Projects
Office of Scientific and Technical Information (OSTI)
Numerical Comparison of Rule Ensemble Methods and Support Vector Machines Juan Meza ∗ Mark Woods † December 18, 2009 Abstract Machine or statistical learning is a growing field that encompasses many scientific problems including estimating parameters from data, identifying risk factors in health studies, image recognition, and finding clusters within datasets, to name just a few examples. Statistical learning can be described as "learning from data", with the goal of making a
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Numerical Simulation - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Fuel Cycle Defense Waste Management Programs Advanced
The Effects of Heterogeneity in Magma Water Concentration on the Development of Flow Banding and Spherulites in Rhyolitic Lava
Seaman, S.; Dyar, D; Marinkovic, N
This study focuses on the origin of flow-banded rhyolites that consist of compositionally similar darker and lighter flow bands of contrasting texture and color. Infrared radiation was used to obtain Fourier transform infrared (FTIR) spectra from which water concentrations were calculated, and to map variations in water concentrations across zones of spherulites and glass from the 23 million year old Sycamore Canyon lava flow of southern Arizona. Lighter-colored, thicker flow bands consist of gray glass, fine-grained quartz, and large (1.0 to 1.5 mm) spherulites. Darker-colored, thinner flow bands consist of orange glass and smaller (0.1 to 0.2 mm) spherulites. The centers of both large and small spherulites are occupied by either (1) a quartz or sanidine crystal, (2) a granophyric intergrowth, or (3) a vesicle. Mapping of water concentration (dominantly OH- in glass and OH- and H2O in sanidine crystals) illustrates fluctuating water availability during quenching of the host melt. Textures of large spherulites in the lighter (gray) bands in some cases indicate complex quenching histories that suggest that local water concentration controlled the generation of glass versus crystals. Small spherulites in darker (orange) bands have only one generation of radiating crystal growth. Both the glass surrounding spherulites, and the crystals in the spherulites contain more water in the gray flow bands than in the orange flow bands. Flow banding in the Sycamore Canyon lava flow may have originated by the stretching of a magma that contained pre-existing zones (vesicles or proto-vesicles) of contrasting water concentration, as the magma flowed in the conduit and on the surface. Variation in the original water concentration in the alternating layers is interpreted to have resulted in differences in undercooling textures in spherulites in the lighter compared to the darker flow bands.
Confidence in Numerical Simulations
Hemez, Francois M.
This PowerPoint presentation offers a high-level discussion of uncertainty, confidence and credibility in scientific Modeling and Simulation (M&S). It begins by briefly evoking M&S trends in computational physics and engineering. The first thrust of the discussion is to emphasize that the role of M&S in decision-making is either to support reasoning by similarity or to "forecast," that is, make predictions about the future or extrapolate to settings or environments that cannot be tested experimentally. The second thrust is to explain that M&S-aided decision-making is an exercise in uncertainty management. The three broad classes of uncertainty in computational physics and engineering are variability and randomness, numerical uncertainty and model-form uncertainty. The last part of the discussion addresses how scientists "think." This thought process parallels the scientific method where by a hypothesis is formulated, often accompanied by simplifying assumptions, then, physical experiments and numerical simulations are performed to confirm or reject the hypothesis. "Confidence" derives, not just from the levels of training and experience of analysts, but also from the rigor with which these assessments are performed, documented and peer-reviewed.
Simulating Geologic Co-sequestration of Carbon Dioxide and Hydrogen Sulfide in a Basalt Formation
Bacon, Diana H.; Ramanathan, Ramya; Schaef, Herbert T.; McGrail, B. Peter
Co-sequestered CO2 with H2S impurities could affect geologic storage, causing changes in pH and oxidation state that affect mineral dissolution and precipitation reactions and the mobility of metals present in the reservoir rocks. We have developed a variable component, non-isothermal simulator, STOMP-COMP (Water, Multiple Components, Salt and Energy), which simulates multiphase flow gas mixtures in deep saline reservoirs, and the resulting reactions with reservoir minerals. We use this simulator to model the co-injection of CO2 and H2S into brecciated basalt flow top. A 1000 metric ton injection of these supercritical fluids, with 99% CO2 and 1% H2S, is sequestered rapidly by solubility and mineral trapping. CO2 is trapped mainly as calcite within a few decades and H2S is trapped as pyrite within several years.
Probability encoding of hydrologic parameters for basalt. Elicitation of expert opinions from a panel of five consulting hydrologists
Runchal, A.K.; Merkhofer, M.W.; Olmsted, E.; Davis, J.D.
The Columbia River basalts underlying the Hanford Site in Washington State are being considered as a possible location for a geologic repository for high-level nuclear waste. To investigate the feasibility of a repository at this site, the hydrologic parameters of the site must be evaluated. Among hydrologic parameters of particular interest are the effective porosity of the Cohassett basalt flow top and flow interior and the vertical-to-horizontal hydraulic conductivity, or anisotropy ratio, of the Cohassett basalt flow interior. The Cohassett basalt flow is the prime candidate horizon for repository studies. Site-specific data for these hydrologic parameters are currently inadequate for the purpose of preliminary assessment of candidate repository performance. To obtain credible, auditable, and independently derived estimates of the specified hydrologic parameters, a panel of five nationally recognized hydrologists was assembled. Their expert judgments were quantified during two rounds of Delphi process by means of a probability encoding method developed to estimate the probability distributions of the selected hydrologic variables. The results indicate significant differences of expert opinion for cumulative probabilities of less than 10% and greater than 90%, but relatively close agreement in the middle ranges of values. The principal causes of the diversity of opinion are believed to be the lack of site-specific data and the absence of a single, widely accepted, conceptual or theoretical basis for analyzing these variables.
Rythmos Numerical Integration Package
Energy Science and Technology Software Center (OSTI)
Rythmos numerically integrates transient differential equations. The differential equations can be explicit or implicit ordinary differential equations ofr formulated as fully implicit differential-algebraic equations. Methods include backward Euler, forward Euler, explicit Runge-Kutta, and implicit BDF at this time. Native support for operator split methods and strict modularity are strong design goals. Forward sensitivity computations will be included in the first release with adjoint sensitivities coming in the near future. Rythmos heavily relies on Thyra formore » linear algebra and nonlinear solver interfaces to AztecOO, Amesos, IFPack, and NOX in Tilinos. Rythmos is specially suited for stiff differential equations and thos applictions where operator split methods have a big advantage, e.g. Computational fluid dynamics, convection-diffusion equations, etc.« less
Upper concentration limits for {sup 239}Pu traces in some {open_quotes}KTB{close_quotes}-samples and in one Hawaiian lava
Barth, H.; Ganz, M.; Brandt, R.
Trace quantities of plutonium are observed in the environment all over the world, and include both man-made {sup 238-242}Pu and natural {sup 239}Pu in uranium ores. Typical concentrations range from 10{sup {minus}14} g Pu/g sample up to 10{sup {minus}12} g Pu/g in pitchblende. We have determined some upper concentration limits for the plutonium in samples from KTB (Kontinentales Tiefbohrprogramm, Germany) which are in the range of 10{sup {minus}15} down to 3{center_dot}10{sup {minus}17} g Pu/g sample. In addition, we have investigated one sample of Hawaiian lava, with a limit of 5{center_dot}10{sup {minus}15}. We could not confirm previous reports on the observation of plutonium in some Pacific Lavas, nor do our results show any evidence for cold fusion neutrons producing plutonium in fluids of great depth in the crust.
Radiocarbon as a Reactive Tracer for Tracking Permanent CO2 Storage in Basaltic Rocks
Matter, Juerg; Stute, Martin; Schlosser, Peter; Broecker, Wallace
In view of concerns about the long-term integrity and containment of CO2 storage in geologic reservoirs, many efforts have been made to improve the monitoring, verification and accounting methods for geologically stored CO2. Our project aimed to demonstrate that carbon-14 (14C) could be used as a reactive tracer to monitor geochemical reactions and evaluate the extent of mineral trapping of CO2 in basaltic rocks. The capacity of a storage reservoir for mineral trapping of CO2 is largely a function of host rock composition. Mineral carbonation involves combining CO2 with divalent cations including Ca2+, Mg2+ and Fe2+. The most abundant geological sources for these cations are basaltic rocks. Based on initial storage capacity estimates, we know that basalts have the necessary capacity to store million to billion tons of CO2 via in situ mineral carbonation. However, little is known about CO2-fluid-rock reactions occurring in a basaltic storage reservoir during and post-CO2 injection. None of the common monitoring and verification techniques have been able to provide a surveying tool for mineral trapping. The most direct method for quantitative monitoring and accounting involves the tagging of the injected CO2 with 14C because 14C is not present in deep geologic reservoirs prior to injection. Accordingly, we conducted two CO2 injection tests at the CarbFix pilot injection site in Iceland to study the feasibility of 14C as a reactive tracer for monitoring CO2-fluid-rock reactions and CO2 mineralization. Our newly developed monitoring techniques, using 14C as a reactive tracer, have been successfully demonstrated. For the first time, permanent and safe disposal of CO2 as environmentally benign carbonate minerals in basaltic rocks could be shown. Over 95% of the injected CO2 at the CarbFix pilot injection site was mineralized to carbonate minerals in less than two years after injection. Our monitoring results confirm that CO2 mineralization in basaltic rocks is far faster than previously postulated.
Site characterization report for the basalt waste isolation project. Volume II
The reference location for a repository in basalt for the terminal storage of nuclear wastes on the Hanford Site and the candidate horizons within this reference repository location have been identified and the preliminary characterization work in support of the site screening process has been completed. Fifteen technical questions regarding the qualification of the site were identified to be addressed during the detailed site characterization phase of the US Department of Energy-National Waste Terminal Storage Program site selection process. Resolution of these questions will be provided in the final site characterization progress report, currently planned to be issued in 1987, and in the safety analysis report to be submitted with the License Application. The additional information needed to resolve these questions and the plans for obtaining the information have been identified. This Site Characterization Report documents the results of the site screening process, the preliminary site characterization data, the technical issues that need to be addressed, and the plans for resolving these issues. Volume 2 contains chapters 6 through 12: geochemistry; surface hydrology; climatology, meteorology, and air quality; environmental, land-use, and socioeconomic characteristics; repository design; waste package; and performance assessment.
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Numerical study of nucleation and growth of bubbles in viscous magmas
Toramaru, A.
The nucleation and growth processes of bubbles in viscous magmas with a constant decompression rate have been numerically investigated based on a formation which accounts for effects of viscosity, as well as diffusivity, interfacial tension, and decompression rate. The numerical solutions show two regimes in the nucleation and growth process, a diffusion-controlled regime and a viscosity-controlled regime, mainly depending on the decompression rate, initial saturation pressure and viscosity. The basic mechanism common to both regimes is that growth governs nucleation through depletion of degassing components. In basaltic eruptions the vesiculation is essentially controlled by diffusion, and the viscosity-controlled regime is limited to very high decompression rate and very small water content. When andesitic magma saturated by water at 10 MPa is decompressed through the propagation of rarefraction wave induced by a landslide, as took place in the Mount St. Helens 1980 eruption, the vesiculation is controlled by the viscosity up to 100 m depth. On the other hand, in a rhyolitic magma for the same situation, vesiculation is controlled by the viscosity over the whole depth of the magma column. In the viscosity-controlled regime, the vesicularity may be 90% or less as seen in silicic pumice, whereas in the diffusion-controlled regime the vesicularity equals or exceeds 98% such as in reticulite in Hawaiian basalt. An observed variation of the number density of bubbles by several orders of magnitude in plinian eruptions and the correlation with the SiO2 content can be attributed approximately to the dependence of diffusivity of viscosity on SiO2 content and temperature, assuming the apparent correlation between SiO2 content and temperature of magma.
Computed solid phases limiting the concentration of dissolved constituents in basalt aquifers of the Columbia Plateau in eastern Washington. Geochemical modeling and nuclide/rock/groundwater interaction studies
Deutsch, W.J.; Jenne, E.A.; Krupka, K.M.
A speciation-solubility geochemical model, WATEQ2, was used to analyze geographically-diverse, ground-water samples from the aquifers of the Columbia Plateau basalts in eastern Washington. The ground-water samples compute to be at equilibrium with calcite, which provides both a solubility control for dissolved calcium and a pH buffer. Amorphic ferric hydroxide, Fe(OH)/sub 3/(A), is at saturation or modestly oversaturated in the few water samples with measured redox potentials. Most of the ground-water samples compute to be at equilibrium with amorphic silica (glass) and wairakite, a zeolite, and are saturated to oversaturated with respect to allophane, an amorphic aluminosilicate. The water samples are saturated to undersaturated with halloysite, a clay, and are variably oversaturated with regard to other secondary clay minerals. Equilibrium between the ground water and amorphic silica presumably results from the dissolution of the glassy matrix of the basalt. The oversaturation of the clay minerals other than halloysite indicates that their rate of formation lags the dissolution rate of the basaltic glass. The modeling results indicate that metastable amorphic solids limit the concentration of dissolved silicon and suggest the same possibility for aluminum and iron, and that the processes of dissolution of basaltic glass and formation of metastable secondary minerals are continuing even though the basalts are of Miocene age. The computed solubility relations are found to agree with the known assemblages of alteration minerals in the basalt fractures and vesicles. Because the chemical reactivity of the bedrock will influence the transport of solutes in ground water, the observed solubility equilibria are important factors with regard to chemical-retention processes associated with the possible migration of nuclear waste stored in the earth's crust.
Disruptive Innovation in Numerical Hydrodynamics
Waltz, Jacob I.
We propose the research and development of a high-fidelity hydrodynamic algorithm for tetrahedral meshes that will lead to a disruptive innovation in the numerical modeling of Laboratory problems. Our proposed innovation has the potential to reduce turnaround time by orders of magnitude relative to Advanced Simulation and Computing (ASC) codes; reduce simulation setup costs by millions of dollars per year; and effectively leverage Graphics Processing Unit (GPU) and future Exascale computing hardware. If successful, this work will lead to a dramatic leap forward in the Laboratory's quest for a predictive simulation capability.
Numerical computation of Pop plot
Menikoff, Ralph
The Pop plot — distance-of-run to detonation versus initial shock pressure — is a key characterization of shock initiation in a heterogeneous explosive. Reactive burn models for high explosives (HE) must reproduce the experimental Pop plot to have any chance of accurately predicting shock initiation phenomena. This report describes a methodology for automating the computation of a Pop plot for a specific explosive with a given HE model. Illustrative examples of the computation are shown for PBX 9502 with three burn models (SURF, WSD and Forest Fire) utilizing the xRage code, which is the Eulerian ASC hydrocode at LANL. Comparison of the numerical and experimental Pop plot can be the basis for a validation test or as an aid in calibrating the burn rate of an HE model. Issues with calibration are discussed.
Evidence for biological activity in mineralization of secondary sulphate deposits in a basaltic environment: implications for the search for life in the Martian subsurface
C. Doc Richardson; Nancy W. Hinman; Jill R. Scott
Evidence of microbial activity associated with mineralization of secondary Na-sulphate minerals (thenardite, mirabilite) in the basaltic subsurface of Craters of the Moon National Monument (COM), Idaho were examined by scanning electron microscopy, X-ray diffraction, laser desorption Fourier transform ion cyclotron resonance mass spectrometry (LD-FTICR-MS), Fourier transform infrared spectroscopy (FTIR) and isotope ratio mass spectrometry. Peaks suggestive of bio/organic compounds were observed in the secondary Na-sulphate deposits by LD-FTICR-MS. FTIR provided additional evidence for the presence of bio/organic compounds. Sulphur fractionation was explored to assist in determining if microbes may play a role in oxidizing sulphur. The presence of bio/organic compounds associated with Na-sulphate deposits, along with the necessity of oxidizing reduced sulphur to sulphate, suggests that biological activity may be involved in the formation of these secondary minerals. The secondary Na-sulphate minerals probably form from the overlying basalt through leached sodium ions and sulphate ions produced by bio-oxidation of Fe-sulphide minerals. Since the COM basalts are one of the most comparable terrestrial analogues for their Martian counterparts, the occurrence of biological activity in the formation of sulphate minerals at COM has direct implications for the search for life on Mars. In addition, the presence of caves on Mars suggests the importance of these environments as possible locations for growth and preservation of microbial activity. Therefore, understanding the physiochemical pathways of abiotic and biotic mineralization in the COM subsurface and similar basaltic settings has direct implications for the search for extinct or extant life on Mars.
Seismic Characterization of Basalt Topography at Two Candidate Sites for the INL Remote-Handled Low-Level Waste Disposal Project
Jeff Sondrup; Gail Heath; Trent Armstrong; Annette Shafer; Jesse Bennett; Clark Scott
This report presents the seismic refraction results from the depth to bed rock surveys for two areas being considered for the Remote-Handled Low-Level Waste (RH-LLW) disposal facility at the Idaho National Laboratory. The first area (Site 5) surveyed is located southwest of the Advanced Test Reactor Complex and the second (Site 34) is located west of Lincoln Boulevard near the southwest corner of the Idaho Nuclear Technology and Engineering Center (INTEC). At Site 5, large area and smaller-scale detailed surveys were performed. At Site 34, a large area survey was performed. The purpose of the surveys was to define the topography of the interface between the surficial alluvium and underlying basalt. Seismic data were first collected and processed using seismic refraction tomographic inversion. Three-dimensional images for both sites were rendered from the data to image the depth and velocities of the subsurface layers. Based on the interpreted top of basalt data at Site 5, a more detailed survey was conducted to refine depth to basalt. This report briefly covers relevant issues in the collection, processing and inversion of the seismic refraction data and in the imaging process. Included are the parameters for inversion and result rendering and visualization such as the inclusion of physical features. Results from the processing effort presented in this report include fence diagrams of the earth model, for the large area surveys and iso-velocity surfaces and cross sections from the detailed survey.
Transient Inverse Calibration of Site-Wide Groundwater Model to Hanford Operational Impacts from 1943 to 1996--Alternative Conceptual Model Considering Interaction with Uppermost Basalt Confined Aquifer
Vermeul, Vincent R.; Cole, Charles R.; Bergeron, Marcel P.; Thorne, Paul D.; Wurstner, Signe K.
The baseline three-dimensional transient inverse model for the estimation of site-wide scale flow parameters, including their uncertainties, using data on the transient behavior of the unconfined aquifer system over the entire historical period of Hanford operations, has been modified to account for the effects of basalt intercommunication between the Hanford unconfined aquifer and the underlying upper basalt confined aquifer. Both the baseline and alternative conceptual models (ACM-1) considered only the groundwater flow component and corresponding observational data in the 3-Dl transient inverse calibration efforts. Subsequent efforts will examine both groundwater flow and transport. Comparisons of goodness of fit measures and parameter estimation results for the ACM-1 transient inverse calibrated model with those from previous site-wide groundwater modeling efforts illustrate that the new 3-D transient inverse model approach will strengthen the technical defensibility of the final model(s) and provide the ability to incorporate uncertainty in predictions related to both conceptual model and parameter uncertainty. These results, however, indicate that additional improvements are required to the conceptual model framework. An investigation was initiated at the end of this basalt inverse modeling effort to determine whether facies-based zonation would improve specific yield parameter estimation results (ACM-2). A description of the justification and methodology to develop this zonation is discussed.
Stephanie von Numers | Department of Energy
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Stephanie von Numers About Us Stephanie von Numers - Communications and Web Coordinator, Education & Workforce Development Stephanie von Numers joined the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy in November 2013. She supports the Education & Workforce Development team's printed and online resource development, social media activity, website maintenance and analytics, and outreach events to promote nation-wide energy literacy and career planning in the
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Submitted by Ocop(5) Member 15 July, 2014 - 07:07 MHK LCOE Reporting Guidance Draft Cost Current DOE LCOE numerical modeling Performance Tidal Wave To normalize competing...
Geologic ages and accumulation rates of basalt-flow groups and sedimentary interbeds in selected wells at the Idaho National Engineering Laboratory, Idaho
Anderson, S.R.; Liszewski, M.J.; Cecil, L.D.
Geologic ages and accumulation rates, estimated from regressions, were used to evaluate measured ages and interpreted stratigraphic and structural relations of basalt and sediment in the unsaturated zone and the Snake River Plain aquifer at the Idaho National Engineering Laboratory (INEL) in eastern Idaho. Geologic ages and accumulation rates were estimated from standard linear regressions of 21 mean potassium-argon (K-Ar) ages, selected mean paleomagnetic ages, and cumulative depths of a composite stratigraphic section composed of complete intervals of basalt and sediment that were deposited in areas of past maximum subsidence. Accumulation rates also were estimated from regressions of stratigraphic intervals in three wells in and adjacent to an area of interpreted uplift at and near the Idaho Chemical Processing Plant (ICPP) and the Test Reactor Area (TRA) to allow a comparison of rates in areas of past uplift and subsidence. Estimated geologic ages range from about 200 thousand to 1.8 million years before present and are reasonable approximations for the interval of basalt and sediment above the effective base of the aquifer, based on reported uncertainties of corresponding measured ages. Estimated ages between 200 and 800 thousand years are within the range of reported uncertainties for all 15 K-Ar ages used in regressions and two out of three -argon ({sup 40}Ar/{sup 39}Ar) ages of duplicate argon samples. Two sets of estimated ages between 800 thousand and 1.8 million years are within the range of reported uncertainties for all seven K-Ar ages used in regressions, which include one shared age of about 800 thousand years. Two sets of ages were estimated for this interval because K-Ar ages make up two populations that agree with previous and revised ages of three paleomagnetic subchrons. The youngest set of ages is consistent with a K-Ar age from the effective base of the aquifer that agrees with previous ages of the Olduvai Normal-Polarity Subchron.
Mechanical diode: Comparing numerical and experimental characterizations
Sagartz, M.J.; Segalman, D.; Simmermacher, T.
In this introductory work, joint compliance is studied in both a numerical and experimental setting. A simple bolted interface is used as the test article and compliance is measured for the joint in both compression and in tension. This simple interface is shown to exhibit a strong non-linearity near the transition from compression to tension (or vice-versa). Modeling issues pertaining to numerically solving for the compliance are addressed. It is shown that the model predictions, in spite of convergence being very sensitive to numerical artifacts of the interface model, are in good agreement with experimentally measured strains and joint compliances. The joint behavior is a mechanical analogy to a diode, i.e., in compression, the joint is very stiff, acting almost as a rigid link, while in tension the joint is relatively soft, acting as a spring.
Numerical simulations of strong incompressible magnetohydrodynamic turbulence
Mason, J.; Cattaneo, F.; Perez, J. C.; Boldyrev, S.
Magnetised plasma turbulence pervades the universe and is likely to play an important role in a variety of astrophysical settings. Magnetohydrodynamics (MHD) provides the simplest theoretical framework in which phenomenological models for the turbulent dynamics can be built. Numerical simulations of MHD turbulence are widely used to guide and test the theoretical predictions; however, simulating MHD turbulence and accurately measuring its scaling properties is far from straightforward. Computational power limits the calculations to moderate Reynolds numbers and often simplifying assumptions are made in order that a wider range of scales can be accessed. After describing the theoretical predictions and the numerical approaches that are often employed in studying strong incompressible MHD turbulence, we present the findings of a series of high-resolution direct numerical simulations. We discuss the effects that insufficiencies in the computational approach can have on the solution and its physical interpretation.
Numerical prediction of window condensation potential
McGowan, A.G.
Although a substantial amount of effort has been expended to develop numerical methods for determining windows U-factors (EE 1983; Goss and Curcija 1994; Standaert 1985; CSA 1993a; NFRC 1991), there has been little work to data on using numerical methods to predict condensation potential. It is perhaps of direct interest to most ASHRAE members to determine heat loss and solar gains through windows as a precursor to sizing heating and cooling equipment, but condensation has long been recognized as an extremely important issue for consumers (and, consequently, for window manufacturers). Moreover, building scientists recognize the link between condensation and increased energy consumption (due to latent loads), reduced occupant comfort and indoor air quality (from the presence of bacteria and mold), and structural damage (where accumulated condensation is absorbed by the building material, thus reducing their structural stability). The National Fenestration Rating Council (NFRC) is developing a rating method for condensation potential in fenestration products as part of its mandate from the US Department of Energy (DOE). A rating method would benefit from the use of simulation as a supplement to physical condensation resistance testing to reduce the cost and time required for implementation and increase the flexibility of the rating method. This paper outlines one of the necessary components in the application of numerical methods for evaluating condensation in fenestration products. The theoretical approach and its practical application are discussed, as well as some comparisons between numerical prediction and physical test results for a sample of products.
Stress-dependent permeability of fractured rock masses: A numerical...
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permeability of fractured rock masses: A numerical study Citation Details In-Document Search Title: Stress-dependent permeability of fractured rock masses: A numerical study We ...
Numerical Modeling At Dixie Valley Geothermal Area (McKenna ...
Numerical Modeling At Dixie Valley Geothermal Area (McKenna & Blackwell, 2003) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Numerical Modeling...
Numerical Verification of Bounce Harmonic Resonances in Neoclassical
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for Tokamaks Kimin Kim, Jong-Kyu Park and Allen H. Boozer 70 PLASMA PHYSICS AND FUSION TECHNOLOGY Tokamaks, Numerical Verification Tokamaks, Numerical Verification This...
Toward portable programming of numerical linear algebra on manycore...
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Toward portable programming of numerical linear algebra on manycore nodes. Citation Details In-Document Search Title: Toward portable programming of numerical linear algebra on ...
Numerical Simulation of Injectivity Effects of Mineral Scaling...
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Numerical Simulation of Injectivity Effects of Mineral Scaling and Clay Swelling in a Fractured Geothermal Reservoir Citation Details In-Document Search Title: Numerical Simulation ...
Sandia Energy - Numerical Simulations of Hydrokinetics in the...
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Numerical Simulations of Hydrokinetics in the Roza Canal, Yakima Washington Home Renewable Energy Energy Water Power Computational Modeling & Simulation Numerical Simulations of...
Numerical modeling of water injection into vapor-dominatedgeothermal...
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Technical Report: Numerical modeling of water injection into vapor-dominatedgeothermal reservoirs Citation Details In-Document Search Title: Numerical modeling of water injection ...
Numerical recipes for mold filling simulation
Kothe, D.; Juric, D.; Lam, K.; Lally, B.
Has the ability to simulate the filling of a mold progressed to a point where an appropriate numerical recipe achieves the desired results? If results are defined to be topological robustness, computational efficiency, quantitative accuracy, and predictability, all within a computational domain that faithfully represents complex three-dimensional foundry molds, then the answer unfortunately remains no. Significant interfacial flow algorithm developments have occurred over the last decade, however, that could bring this answer closer to maybe. These developments have been both evolutionary and revolutionary, will continue to transpire for the near future. Might they become useful numerical recipes for mold filling simulations? Quite possibly. Recent progress in algorithms for interface kinematics and dynamics, linear solution methods, computer science issues such as parallelization and object-oriented programming, high resolution Navier-Stokes (NS) solution methods, and unstructured mesh techniques, must all be pursued as possible paths toward higher fidelity mold filling simulations. A detailed exposition of these algorithmic developments is beyond the scope of this paper, hence the authors choose to focus here exclusively on algorithms for interface kinematics. These interface tracking algorithms are designed to model the movement of interfaces relative to a reference frame such as a fixed mesh. Current interface tracking algorithm choices are numerous, so is any one best suited for mold filling simulation? Although a clear winner is not (yet) apparent, pros and cons are given in the following brief, critical review. Highlighted are those outstanding interface tracking algorithm issues the authors feel can hamper the reliable modeling of today`s foundry mold filling processes.
Advanced Numerical Model for Irradiated Concrete
Giorla, Alain B.
In this report, we establish a numerical model for concrete exposed to irradiation to address these three critical points. The model accounts for creep in the cement paste and its coupling with damage, temperature and relative humidity. The shift in failure mode with the loading rate is also properly represented. The numerical model for creep has been validated and calibrated against different experiments in the literature [Wittmann, 1970, Le Roy, 1995]. Results from a simplified model are shown to showcase the ability of numerical homogenization to simulate irradiation effects in concrete. In future works, the complete model will be applied to the analysis of the irradiation experiments of Elleuch et al. [1972] and Kelly et al. [1969]. This requires a careful examination of the experimental environmental conditions as in both cases certain critical information are missing, including the relative humidity history. A sensitivity analysis will be conducted to provide lower and upper bounds of the concrete expansion under irradiation, and check if the scatter in the simulated results matches the one found in experiments. The numerical and experimental results will be compared in terms of expansion and loss of mechanical stiffness and strength. Both effects should be captured accordingly by the model to validate it. Once the model has been validated on these two experiments, it can be applied to simulate concrete from nuclear power plants. To do so, the materials used in these concrete must be as well characterized as possible. The main parameters required are the mechanical properties of each constituent in the concrete (aggregates, cement paste), namely the elastic modulus, the creep properties, the tensile and compressive strength, the thermal expansion coefficient, and the drying shrinkage. These can be either measured experimentally, estimated from the initial composition in the case of cement paste, or back-calculated from mechanical tests on concrete. If some are unknown, a sensitivity analysis must be carried out to provide lower and upper bounds of the material behaviour. Finally, the model can be used as a basis to formulate a macroscopic material model for concrete subject to irradiation, which later can be used in structural analyses to estimate the structural impact of irradiation on nuclear power plants.
Numerical uncertainty in computational engineering and physics
Hemez, Francois M
Obtaining a solution that approximates ordinary or partial differential equations on a computational mesh or grid does not necessarily mean that the solution is accurate or even 'correct'. Unfortunately assessing the quality of discrete solutions by questioning the role played by spatial and temporal discretizations generally comes as a distant third to test-analysis comparison and model calibration. This publication is contributed to raise awareness of the fact that discrete solutions introduce numerical uncertainty. This uncertainty may, in some cases, overwhelm in complexity and magnitude other sources of uncertainty that include experimental variability, parametric uncertainty and modeling assumptions. The concepts of consistency, convergence and truncation error are overviewed to explain the articulation between the exact solution of continuous equations, the solution of modified equations and discrete solutions computed by a code. The current state-of-the-practice of code and solution verification activities is discussed. An example in the discipline of hydro-dynamics illustrates the significant effect that meshing can have on the quality of code predictions. A simple method is proposed to derive bounds of solution uncertainty in cases where the exact solution of the continuous equations, or its modified equations, is unknown. It is argued that numerical uncertainty originating from mesh discretization should always be quantified and accounted for in the overall uncertainty 'budget' that supports decision-making for applications in computational physics and engineering.
RELAP-7 Numerical Stabilization: Entropy Viscosity Method
R. A. Berry; M. O. Delchini; J. Ragusa
The RELAP-7 code is the next generation nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). The code is based on the INL's modern scientific software development framework, MOOSE (Multi-Physics Object Oriented Simulation Environment). The overall design goal of RELAP-7 is to take advantage of the previous thirty years of advancements in computer architecture, software design, numerical integration methods, and physical models. The end result will be a reactor systems analysis capability that retains and improves upon RELAP5's capability and extends the analysis capability for all reactor system simulation scenarios. RELAP-7 utilizes a single phase and a novel seven-equation two-phase flow models as described in the RELAP-7 Theory Manual (INL/EXT-14-31366). The basic equation systems are hyperbolic, which generally require some type of stabilization (or artificial viscosity) to capture nonlinear discontinuities and to suppress advection-caused oscillations. This report documents one of the available options for this stabilization in RELAP-7 -- a new and novel approach known as the entropy viscosity method. Because the code is an ongoing development effort in which the physical sub models, numerics, and coding are evolving, so too must the specific details of the entropy viscosity stabilization method. Here the fundamentals of the method in their current state are presented.
Numerical Studies of Impurities in Fusion Plasmas
DOE R&D Accomplishments [OSTI]
Hulse, R. A.
The coupled partial differential equations used to describe the behavior of impurity ions in magnetically confined controlled fusion plasmas require numerical solution for cases of practical interest. Computer codes developed for impurity modeling at the Princeton Plasma Physics Laboratory are used as examples of the types of codes employed for this purpose. These codes solve for the impurity ionization state densities and associated radiation rates using atomic physics appropriate for these low-density, high-temperature plasmas. The simpler codes solve local equations in zero spatial dimensions while more complex cases require codes which explicitly include transport of the impurity ions simultaneously with the atomic processes of ionization and recombination. Typical applications are discussed and computational results are presented for selected cases of interest.
Very high numerical aperture light transmitting device
Allison, Stephen W.; Boatner, Lynn A.; Sales, Brian C.
A new light-transmitting device using a SCIN glass core and a novel calcium sodium cladding has been developed. The very high index of refraction, radiation hardness, similar solubility for rare earths and similar melt and viscosity characteristics of core and cladding materials makes them attractive for several applications such as high-numerical-aperture optical fibers and specialty lenses. Optical fibers up to 60 m in length have been drawn, and several simple lenses have been designed, ground, and polished. Preliminary results on the ability to directly cast optical components of lead-indium phosphate glass are also discussed as well as the suitability of these glasses as a host medium for rare-earth ion lasers and amplifiers.
High numerical aperture multilayer Laue lenses
Morgan, Andrew J.; Prasciolu, Mauro; Andrejczuk, Andrzej; Krzywinski, Jacek; Meents, Alke; Pennicard, David; Graafsma, Heinz; Barty, Anton; Bean, Richard J.; Barthelmess, Miriam; Oberthuer, Dominik; Yefanov, Oleksandr; Aquila, Andrew; Chapman, Henry N.; Bajt, Saša
The ever-increasing brightness of synchrotron radiation sources demands improved X-ray optics to utilise their capability for imaging and probing biological cells, nanodevices, and functional matter on the nanometer scale with chemical sensitivity. Here we demonstrate focusing a hard X-ray beam to an 8 nm focus using a volume zone plate (also referred to as a wedged multilayer Laue lens). This lens was constructed using a new deposition technique that enabled the independent control of the angle and thickness of diffracting layers to microradian and nanometer precision, respectively. This ensured that the Bragg condition is satisfied at each point along the lens, leading to a high numerical aperture that is limited only by its extent. We developed a phase-shifting interferometric method based on ptychography to characterise the lens focus. The precision of the fabrication and characterisation demonstrated here provides the path to efficient X-ray optics for imaging at 1 nm resolution.
A survey of numerical cubature over triangles
Lyness, J.N.; Cools, R.
This survey collects together theoretical results in the area of numerical cubature over triangles and is a vehicle for a current bibliography. We treat first the theory relating to regular integrands and then the corresponding theory for singular integrands with emphasis on the ``full comer singularity.`` Within these two sections we treat successively approaches based on transforming the triangle into a square, formulas based on polynomial moment fitting, and extrapolation techniques. Within each category we quote key theoretical results without proof, and relate other results and references to these. Nearly all the references we have found may be readily placed in one of these categories. This survey is theoretical in character and does not include recent work in adaptive and automatic integration.
Koeppel, Brian J.; Liu, Wenning N.; Stephens, Elizabeth V.; Khaleel, Mohammad A.
Numerical modeling was used to simulate the constrained sintering process of the cathode contact layer during assembly of solid oxide fuel cells (SOFCs). A finite element model based on the continuum theory for sintering of porous bodies was developed and used to investigate candidate low-temperature cathode contact materials. Constitutive parameters for various contact materials under investigation were estimated from dilatometry screening tests, and the influence of processing time, processing temperature, initial grain size, and applied compressive stress on the free sintering response was predicted for selected candidate materials. The densification behavior and generated stresses within a 5-cell planar SOFC stack during sintering, high temperature operation, and room temperature shutdown were predicted. Insufficient constrained densification was observed in the stack at the proposed heat treatment, but beneficial effects of reduced grain size, compressive stack preload, and reduced thermal expansion coefficient on the contact layer densification and stresses were observed.
Direct numerical simulation of turbulent reacting flows
Chen, J.H.
The development of turbulent combustion models that reflect some of the most important characteristics of turbulent reacting flows requires knowledge about the behavior of key quantities in well defined combustion regimes. In turbulent flames, the coupling between the turbulence and the chemistry is so strong in certain regimes that is is very difficult to isolate the role played by one individual phenomenon. Direct numerical simulation (DNS) is an extremely useful tool to study in detail the turbulence-chemistry interactions in certain well defined regimes. Globally, non-premixed flames are controlled by two limiting cases: the fast chemistry limit, where the turbulent fluctuations. In between these two limits, finite-rate chemical effects are important and the turbulence interacts strongly with the chemical processes. This regime is important because industrial burners operate in regimes in which, locally the flame undergoes extinction, or is at least in some nonequilibrium condition. Furthermore, these nonequilibrium conditions strongly influence the production of pollutants. To quantify the finite-rate chemistry effect, direct numerical simulations are performed to study the interaction between an initially laminar non-premixed flame and a three-dimensional field of homogeneous isotropic decaying turbulence. Emphasis is placed on the dynamics of extinction and on transient effects on the fine scale mixing process. Differential molecular diffusion among species is also examined with this approach, both for nonreacting and reacting situations. To address the problem of large-scale mixing and to examine the effects of mean shear, efforts are underway to perform large eddy simulations of round three-dimensional jets.
An Updated Numerical Model Of The Larderello-Travale Geothermal...
Numerical Model Of The Larderello-Travale Geothermal System, Italy Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: An Updated Numerical Model Of...
Numerical Modeling Of Basin And Range Geothermal Systems | Open...
for extensional geothermal systems that include structure, heat input, and permeability distribution have been established using numerical models. Extensional geothermal...
High numerical aperture multilayer Laue lenses
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Morgan, Andrew J.; Prasciolu, Mauro; Andrejczuk, Andrzej; Krzywinski, Jacek; Meents, Alke; Pennicard, David; Graafsma, Heinz; Barty, Anton; Bean, Richard J.; Barthelmess, Miriam; et al
The ever-increasing brightness of synchrotron radiation sources demands improved X-ray optics to utilise their capability for imaging and probing biological cells, nanodevices, and functional matter on the nanometer scale with chemical sensitivity. Here we demonstrate focusing a hard X-ray beam to an 8 nm focus using a volume zone plate (also referred to as a wedged multilayer Laue lens). This lens was constructed using a new deposition technique that enabled the independent control of the angle and thickness of diffracting layers to microradian and nanometer precision, respectively. This ensured that the Bragg condition is satisfied at each point along themore » lens, leading to a high numerical aperture that is limited only by its extent. We developed a phase-shifting interferometric method based on ptychography to characterise the lens focus. The precision of the fabrication and characterisation demonstrated here provides the path to efficient X-ray optics for imaging at 1 nm resolution.« less
Self-similar radiation from numerical Rosenau-Hyman compactons
Rus, Francisco Villatoro, Francisco R.
The numerical simulation of compactons, solitary waves with compact support, is characterized by the presence of spurious phenomena, as numerically induced radiation, which is illustrated here using four numerical methods applied to the Rosenau-Hyman K(p, p) equation. Both forward and backward radiations are emitted from the compacton presenting a self-similar shape which has been illustrated graphically by the proper scaling. A grid refinement study shows that the amplitude of the radiations decreases as the grid size does, confirming its numerical origin. The front velocity and the amplitude of both radiations have been studied as a function of both the compacton and the numerical parameters. The amplitude of the radiations decreases exponentially in time, being characterized by a nearly constant scaling exponent. An ansatz for both the backward and forward radiations corresponding to a self-similar function characterized by the scaling exponent is suggested by the present numerical results.
Numerical evaluation of effective unsaturated hydraulic properties for
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fractured rocks (Journal Article) | SciTech Connect Journal Article: Numerical evaluation of effective unsaturated hydraulic properties for fractured rocks Citation Details In-Document Search Title: Numerical evaluation of effective unsaturated hydraulic properties for fractured rocks To represent a heterogeneous unsaturated fractured rock by its homogeneous equivalent, Monte Carlo simulations are used to obtain upscaled (effective) flow properties. In this study, we present a numerical
Numerical analysis and measurement in corner-fired furnace
Zhengjun, S.; Rongsheng, G.
For several years, numerical analysis has been successfully used by Dongfang Boiler (Group) Co., Ltd. at a 200MW boiler, a 300MW boiler and so on, which were designed and made by DBC. The distribution of results is agreement each other between numerical analysis and measurement. In conclusion, it is considered that numerical analysis can be used as an important reference method in pulverized coal boiler design and test.
Toward portable programming of numerical linear algebra on manycore nodes.
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(Conference) | SciTech Connect Toward portable programming of numerical linear algebra on manycore nodes. Citation Details In-Document Search Title: Toward portable programming of numerical linear algebra on manycore nodes. Abstract not provided. Authors: Heroux, Michael Allen Publication Date: 2011-05-01 OSTI Identifier: 1109301 Report Number(s): SAND2011-3556C 471555 DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation: Conference: Toward petaflop numerical
Numerical simulation of the environmental impact of hydraulic...
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Numerical simulation of the environmental impact of hydraulic fracturing of tightshale gas reservoirs on near-surface groundwater: Background, base cases, shallow reservoirs,...
Numerical Modeling At Lightning Dock Geothermal Area (O'Brien...
Basin Additional References Retrieved from "http:en.openei.orgwindex.php?titleNumericalModelingAtLightningDockGeothermalArea(O%27Brien,EtAl.,1984)&oldid762871...
Info-Gap Analysis of Truncation Errors in Numerical Simulations...
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Title: Info-Gap Analysis of Truncation Errors in Numerical Simulations. Authors: Kamm, James R. ; Witkowski, Walter R. ; Rider, William J. ; Trucano, Timothy Guy ; Ben-Haim, Yakov. ...
Info-Gap Analysis of Numerical Truncation Errors. (Conference...
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Title: Info-Gap Analysis of Numerical Truncation Errors. Authors: Kamm, James R. ; Witkowski, Walter R. ; Rider, William J. ; Trucano, Timothy Guy ; Ben-Haim, Yakov. Publication ...
History, Applications, Numerical Values and Problems with the...
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Numerical Values and Problems with the Calculation of EROI (Energy Return on Energy Investment) Professor Charles Hall State University of NY College of Environmental Science and...
Development of Numerical Simulation Capabilities for In Situ...
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Numerical Simulation Capabilities for In Situ Heating of Oil Shale Hoda, Nazish ExxonMobil Upstream Research Company, Houston, TX, USA; Fang, Chen ExxonMobil Upstream Research...
An Integrated Experimental and Numerical Study: Developing a...
in a numerical simulator (modified version of TOUGH2) that can adjust porosity and permeability fields according to experimentally observed chemical fluid-rock interactions...
Numerical simulations for low energy nuclear reactions including...
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Numerical simulations for low energy nuclear reactions including direct channels to ... Visit OSTI to utilize additional information resources in energy science and technology. A ...
Numerical Modeling At Raft River Geothermal Area (1983) | Open...
Raft River Geothermal Area (1983) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Numerical Modeling At Raft River Geothermal Area (1983)...
Numerical simulations for low energy nuclear reactions including...
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energy nuclear reactions including direct channels to validate statistical models Citation Details In-Document Search Title: Numerical simulations for low energy nuclear reactions ...
An Iterated, Multipoint Differential Transform Method for Numerically...
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...Value Problems Citation Details In-Document Search Title: An Iterated, Multipoint Differential Transform Method for Numerically Evolving Partial Differential Equation Initial-Value ...
Numerical Analysis of Fixed Point Algorithms in the Presence...
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in the Presence of Hardware Faults Citation Details In-Document Search Title: Numerical Analysis of Fixed Point Algorithms in the Presence of Hardware Faults You are ...
Numerical Modelling of Geothermal Systems a Short Introduction...
Modelling of Geothermal Systems a Short Introduction Jump to: navigation, search OpenEI Reference LibraryAdd to library General: Numerical Modelling of Geothermal Systems a Short...
Final Report on Experimental and Numerical Modeling Activities...
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Technical Report: Final Report on Experimental and Numerical Modeling Activities for the Newark Basin Citation Details In-Document Search Title: Final Report on Experimental and ...
Development of Numerical Simulation Capabilities for In Situ...
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for In Situ Heating of Oil Shale Citation Details In-Document Search Title: Development of Numerical Simulation Capabilities for In Situ Heating of Oil Shale Authors: Hoda, ...
A Numerical Evaluation Of Electromagnetic Methods In Geothermal...
Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A Numerical Evaluation Of Electromagnetic Methods In Geothermal Exploration - Discussion...
Numerical Modeling At Coso Geothermal Area (1995) | Open Energy...
transform is employed to characterize guided-wave's velocity-frequency dispersion, and numerical methods are used to simulate the guided-wave propagation. The modeling...
Direct Numerical Simulations and Robust Predictions of Cloud...
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cloud. Credit: Computational Science and Engineering Laboratory, ETH Zurich, Switzerland Direct Numerical Simulations and Robust Predictions of Cloud Cavitation Collapse PI Name:...
Simple intrinsic defects in GaAs : numerical supplement.
Schultz, Peter Andrew
This Report presents numerical tables summarizing properties of intrinsic defects in gallium arsenide, GaAs, as computed by density functional theory. This Report serves as a numerical supplement to the results published in: P.A. Schultz and O.A. von Lilienfeld, 'Simple intrinsic defects in GaAs', Modelling Simul. Mater. Sci Eng., Vol. 17, 084007 (2009), and intended for use as reference tables for a defect physics package in device models. The numerical results for density functional theory calculations of properties of simple intrinsic defects in gallium arsenide are presented.
Mineralogical textural and compositional data on the alteration of basaltic glass from Kilauea, Hawaii to 300 degrees C: Insights to the corrosion of a borosilicate glass waste-form. [Yucca Mountain Project
Smith, D.K.
Mineralogical, textural and compositional data accompanying greenschist facies metamorphism (to 300{degrees}C) of basalts of the East Rift Zone (ERZ), Kilauea, Hawaii may be evaluated relative to published and experimental results for the surface corrosion of borosilicate glass. The ERZ alteration sequence is dominated by intermittent palagonite, interlayered smectite-chlorite, chlorite, and actinolite-epidote-anhydrite. Alteration is best developed in fractures and vesicles where surface reaction layers root on the glass matrix forming rinds in excess of 100 microns thick. Fractures control fluid circulation and the alteration sequence. Proximal to the glass surface, palagonite, Fe-Ti oxides and clays replace fresh glass as the surface reaction layer migrates inwards; away from the surface, amphibole, anhydrite, quartz and calcite crystallize from hydrothermal fluids in contact with the glass. The texture and composition of basaltic glass surfaces are similar to those of a SRL-165 glass leached statically for sixty days at 150 {degrees}C. While the ERZ reservoir is a complex open system, conservative comparisons between the alteration of ERZ and synthetic borosilicate glass are warranted. 31 refs., 2 figs.
Numerical simulation experiments on the long-term evolution of...
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the long-term evolution of a CO2 plume under a sloping caprock Citation Details In-Document Search Title: Numerical simulation experiments on the long-term evolution of a CO2 plume ...
A Numerical Evaluation Of Electromagnetic Methods In Geothermal...
L Pellerin, J M Johnston & G W Hohmann, Geophysics, 61(1), 1996, Pp 121-130 Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A Numerical...
Use of ARM observations and numerical models to determine radiative...
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We investigated whether the West African anvil clouds connected with squall line MCSs passing over the Niamey ARM site could be simulated in a numerical model by comparing the ...
Kees Bol, a scientist on Project Matterhorn, PDX and numerous...
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a scientist on Project Matterhorn, PDX and numerous experiments, dies at 90 By Jeanne Jackson DeVoe August 25, 2015 Tweet Widget Google Plus One Share on Facebook Photo courtesy...
Numerical Modeling Studies of The Dissolution-Diffusion-Convection...
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CO2 Storage in Saline Aquifers Citation Details In-Document Search Title: Numerical Modeling Studies of The Dissolution-Diffusion-Convection ProcessDuring CO2 Storage in ...
Experimental and numerical study of the effective thermal conductivity of
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silica nanocomposites with thermal boundary resistance (Journal Article) | SciTech Connect Experimental and numerical study of the effective thermal conductivity of silica nanocomposites with thermal boundary resistance Citation Details In-Document Search Title: Experimental and numerical study of the effective thermal conductivity of silica nanocomposites with thermal boundary resistance The thermal interface resistance at the macro scale is mainly described by the physical gap between two
Spin filtering in a double quantum dot device: Numerical renormalization
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group study of the internal structure of the Kondo state (Journal Article) | SciTech Connect Spin filtering in a double quantum dot device: Numerical renormalization group study of the internal structure of the Kondo state Citation Details In-Document Search Title: Spin filtering in a double quantum dot device: Numerical renormalization group study of the internal structure of the Kondo state A double quantum dot device, connected to two channels that only interact through interdot Coulomb
Accurate Numerical Simulations Of Chemical Phenomena Involved in Energy
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Production and Storage with MADNESS and MPQC: ALCF-2 Early Science Program Technical Report (Technical Report) | SciTech Connect Technical Report: Accurate Numerical Simulations Of Chemical Phenomena Involved in Energy Production and Storage with MADNESS and MPQC: ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Accurate Numerical Simulations Of Chemical Phenomena Involved in Energy Production and Storage with MADNESS and MPQC: ALCF-2 Early Science
An Iterated, Multipoint Differential Transform Method for Numerically
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Evolving Partial Differential Equation Initial-Value Problems (Journal Article) | SciTech Connect Journal Article: An Iterated, Multipoint Differential Transform Method for Numerically Evolving Partial Differential Equation Initial-Value Problems Citation Details In-Document Search Title: An Iterated, Multipoint Differential Transform Method for Numerically Evolving Partial Differential Equation Initial-Value Problems Authors: Finkel, H. J. [1] + Show Author Affiliations (LCF) Publication
Direct Numerical Simulation of Compressible, Turbulent Flow | Argonne
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Leadership Computing Facility Sample slice of the instantaneous density field Sample slice of the instantaneous density field in a Mach 2.3 turbulent boundary layer computed with the HOPS code. The computational mesh for this direct numerical simulation was over 33 billion cells, and was run on up to 102,400 cores under a DoD HPCMP Frontier Project. Nicholas Bisek and Ryan Gosse, Air Force Research Laboratory; Jonathan Poggie, Purdue University Direct Numerical Simulation of Compressible,
Numerical simulations shed new light on early universe
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Numerical simulations shed new light on early universe Numerical simulations shed new light on early universe The code simulates conditions during the first few minutes of cosmological evolution to model the role of neutrinos, nuclei and other particles in shaping the early universe. April 21, 2016 Los Alamos scientists developed the BURST computer code to predict-to unprecedented precision-the amounts of light nuclei synthesized in the Big Bang. Los Alamos scientists developed the BURST
Numerical evaluation of effective unsaturated hydraulic properties for
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fractured rocks (Journal Article) | SciTech Connect Journal Article: Numerical evaluation of effective unsaturated hydraulic properties for fractured rocks Citation Details In-Document Search Title: Numerical evaluation of effective unsaturated hydraulic properties for fractured rocks × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service.
Numerical simulation of phase transition problems with explicit interface
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tracking (Journal Article) | SciTech Connect Numerical simulation of phase transition problems with explicit interface tracking Citation Details In-Document Search This content will become publicly available on March 18, 2017 Title: Numerical simulation of phase transition problems with explicit interface tracking Authors: Hu, Yijing ; Shi, Qiangqiang Search SciTech Connect for author "Shi, Qiangqiang" Search SciTech Connect for ORCID "0000000173177251" Search orcid.org
Numerical simulations for low energy nuclear reactions including direct
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channels to validate statistical models (Conference) | SciTech Connect Numerical simulations for low energy nuclear reactions including direct channels to validate statistical models Citation Details In-Document Search Title: Numerical simulations for low energy nuclear reactions including direct channels to validate statistical models Authors: Kawano, Toshihiko [1] + Show Author Affiliations Los Alamos National Laboratory [Los Alamos National Laboratory Publication Date: 2014-01-08 OSTI
Lava Creek Geothermal Area | Open Energy Information
100C373.15 K 212 F 671.67 R 1 USGS Estimated Reservoir Volume: 2 km 1 USGS Mean Capacity: 5 MW 1 Click "Edit With Form" above to add content History and...
Mathematical and Numerical Analyses of Peridynamics for Multiscale Materials Modeling
Gunzburger, Max
We have treated the modeling, analysis, numerical analysis, and algorithmic development for nonlocal models of diffusion and mechanics. Variational formulations were developed and finite element methods were developed based on those formulations for both steady state and time dependent problems. Obstacle problems and optimization problems for the nonlocal models were also treated and connections made with fractional derivative models.
Translation and integration of numerical atomic orbitals in linear molecules
Hein�sm�ki, Sami
We present algorithms for translation and integration of atomic orbitals for LCAO calculations in linear molecules. The method applies to arbitrary radial functions given on a numerical mesh. The algorithms are based on pseudospectral differentiation matrices in two dimensions and the corresponding two-dimensional Gaussian quadratures. As a result, multicenter overlap and Coulomb integrals can be evaluated effectively.
Simple intrinsic defects in InAs : numerical predictions.
Schultz, Peter Andrew
This Report presents numerical tables summarizing properties of intrinsic defects in indium arsenide, InAs, as computed by density functional theory using semi-local density functionals, intended for use as reference tables for a defect physics package in device models.
Numerical Modeling At Neal Hot Springs Geothermal Area (U.S....
Area Exploration Technique Numerical Modeling Activity Date 2011 - 2011 Usefulness useful DOE-funding Unknown Exploration Basis A numerical reservoir model was created to...
On Numerical Considerations for Modeling Reactive Astrophysical Shocks
Papatheodore, Thomas L; Messer, Bronson
Simulating detonations in astrophysical environments is often complicated by numerical approximations to shock structure. A common prescription to ensure correct detonation speeds (and associated quantities) is to prohibit burning inside the numerically broadened shock (Fryxell et al. 1989). We have performed a series of simulations to verify the efficacy of this approximation and to understand how resolution and dimensionality might affect its use. Our results show that, in one dimension, prohibiting burning in the shock is important wherever the carbon burning length is not resolved, in keeping with the results of Fryxell et al. (1989). In two dimensions, we find that the prohibition of shock burning effectively inhibits the development of cellular structure for all but the most highly-resolved cases. We discuss the possible impacts this outcome may have on sub-grid models and detonation propagation in Type Ia supernovae.
Numerical study of thermoacoustic convection in a cavity
Fusegi, Toru; Farouk, B.; Oran, E.S.
Thermoacoustic convection in a two-dimensional cavity is numerically studied. Part of a compressible fluid (Helium) near the center line of the cavity is suddenly energized to generate pressure waves. Numerical solutions are secured by employing a highly accurate explicit method termed LCPFCT algorithm for the convection terms of the full Navier-Stokes equations. Thermoacoustic waves, which decay in large time due to the viscosity of fluid, are of the oscillatory nature. Much higher heat transfer rate can be achieved in an initial stage of transient processes, compared to that due to conduction. When a partial length of the cavity center line is heated, resulting thermoacoustic waves exhibit remarkable two-dimensional patterns.
Numerical method for shear bands in ductile metal with inclusions
Plohr, Jee Yeon N [Los Alamos National Laboratory; Plohr, Bradley J [Los Alamos National Laboratory
A numerical method for mesoscale simulation of high strain-rate loading of ductile metal containing inclusions is described. Because of small-scale inhomogeneities, such a composite material is prone to localized shear deformation (adiabatic shear bands). The modeling framework is the Generalized Method of Cells of Paley and Aboudi [Mech. Materials, vol. 14, pp. /27-139, 1992], which ensures that the micromechanical response of the material is reflected in the behavior of the composite at the mesoscale. To calculate the effective plastic strain rate when shear bands are present, the analytic and numerical analysis of shear bands by Glimm, Plohr, and Sharp [Mech. Materials, vol. 24, pp. 31-41, 1996] is adapted and extended.
Tropical anvil cirrus evolution from observations and numerical simulations
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Tropical anvil cirrus evolution from observations and numerical simulations Deng, Min University of Utah Mace, Gerald University of Utah Category: Modeling The tropical anvil cirrus formation and maintenance mechanism evolves during the life cycle of the mesoscale complexes. The large heating-rate gradients within the cloud may induce dynamical responses which would tend to lift and spread the anvils (Ackerman, 1988). The radiation heating can act as sources of turbulence and affect the anvil
Direct Numerical Simulations and Robust Predictions of Cloud Cavitation
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Collapse | Argonne Leadership Computing Facility Initiation of cloud cavitation collapse for 50,000 bubbles Initiation of cloud cavitation collapse for 50,000 bubbles. Jonas Sukys, ETH Zurich Direct Numerical Simulations and Robust Predictions of Cloud Cavitation Collapse PI Name: Petros Koumoutsakos PI Email: firstname.lastname@example.com Institution: ETH Zurich Allocation Program: INCITE Allocation Hours at ALCF: 72 Million Year: 2016 Research Domain: Engineering Cloud cavitation collapse-the evolution
Dispersion of helically corrugated waveguides: Analytical, numerical, and experimental study
Burt, G.; Ronald, K.; Young, A.R.; Phelps, A.D.R.; Cross, A.W.; Konoplev, I.V.; He, W.; Thomson, J.; Whyte, C.G.; Samsonov, S.V.; Denisov, G.G.; Bratman, V.L.
Helically corrugated waveguides have recently been studied for use in various applications such as interaction regions in gyrotron traveling-wave tubes and gyrotron backward-wave oscillators and as a dispersive medium for passive microwave pulse compression. The paper presents a summary of various methods that can be used for analysis of the wave dispersion of such waveguides. The results obtained from an analytical approach, simulations with the three-dimensional numerical code MAGIC, and cold microwave measurements are analyzed and compared.
Numerical Simulation of Ni Grain Growth in a Thermal Gradient
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665C Numerical Simulation of Ni Grain Growth in a Thermal Gradient Sandia National Laboratories John A. Mitchell and Veena Tikare Sandia National Laboratories, Albuquerque New Mexico 87185 Towards Grain Size Predictions for Heat Treatment^ Processes Strength, toughness & crack growth resistance in nickel alloys is enhanced by control over microstructure through multiple stages of wrought processing Heat treatments stimulate grain growth and evolution In this work, a Potts model is used to
COLLOQUIUM: History, Applications, Numerical Values and Problems with the
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Calculation of EROI - Energy Return on (Energy) Investment | Princeton Plasma Physics Lab March 2, 2016, 4:15pm to 5:30pm Colloquia MBG Auditorium COLLOQUIUM: History, Applications, Numerical Values and Problems with the Calculation of EROI - Energy Return on (Energy) Investment Professor Charles Hall State University of NY College of Environmental Science and Forestry Plants and animals are subjected to fierce selective pressure to do the "right thing" energetically, that is to
Numerical simulations of the decay of primordial magnetic turbulence
Kahniashvili, Tina [McWilliams Center for Cosmology and Department of Physics, Carnegie Mellon University, 5000 Forbes Ave, Pittsburgh, Pennsylvania 15213 (United States); Department of Physics, Laurentian University, Ramsey Lake Road, Sudbury, ON P3E 2C (Canada); Abastumani Astrophysical Observatory, Ilia State University, 2A Kazbegi Ave, Tbilisi, GE-0160 (Georgia); Brandenburg, Axel [Nordita, AlbaNova University Center, Roslagstullsbacken 23, 10691 Stockholm (Sweden); Department of Astronomy, Stockholm University, SE 10691 Stockholm (Sweden); Tevzadze, Alexander G. [Abastumani Astrophysical Observatory, Ilia State University, 2A Kazbegi Ave, Tbilisi, GE-0160 (Georgia); Faculty of Exact and Natural Sciences, Tbilisi State University, 1 Chavchavadze Avenue Tbilisi, GE-0128 (Georgia); Ratra, Bharat [Department of Physics, Kansas State University, 116 Cardwell Hall, Manhattan, Kansas 66506 (United States)
We perform direct numerical simulations of forced and freely decaying 3D magnetohydrodynamic turbulence in order to model magnetic field evolution during cosmological phase transitions in the early Universe. Our approach assumes the existence of a magnetic field generated either by a process during inflation or shortly thereafter, or by bubble collisions during a phase transition. We show that the final configuration of the magnetic field depends on the initial conditions, while the velocity field is nearly independent of initial conditions.
Los Alamos National Laboratory communicators capture numerous awards from
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Society for Technical Communication Society for Technical Communication Awards Los Alamos National Laboratory communicators capture numerous awards from Society for Technical Communication Three Los Alamos entries garnered Distinguished Technical Communication awards, the competition's highest award category. April 15, 2010 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering
Numerical solution of sand transport in hydraulic fracturing
Daneshy, A.A.; Crichlow, H.B.
A numerical solution is developed for the deposition of a propping agent inside a hydraulic fracture. Such parameters as fluid leak-off into the formation, increase in sand concentration caused by leak-off, non-Newtonian fracturing fluids, hindered settling velocity, and an up-to-date geometry are taken into consideration. Three examples investigate the proppant deposition for low-, medium-, and high-viscosity fracturing fluids.
Numerical Simulation of Groundwater Withdrawal at the Nevada Test Site
Carroll, Rosemary; Giroux, Brian; Pohll, Greg; Hershey, Ronald; Russell, Charles; Howcroft, William
Alternative uses of the Nevada Test Site (NTS) may require large amounts of water to construct and/or operate. The only abundant source of water at the NTS is groundwater. This report describes preliminary modeling to quantify the amount of groundwater available for development from three hydrographic areas at the NTS. Modeling was conducted with a three-dimensional transient numerical groundwater flow model.
Transient productivity index for numerical well test simulations
Blanc, G.; Ding, D.Y.; Ene, A.
The most difficult aspect of numerical simulation of well tests is the treatment of the Bottom Hole Flowing (BHF) Pressure. In full field simulations, this pressure is derived from the Well-block Pressure (WBP) using a numerical productivity index which accounts for the grid size and permeability, and for the well completion. This productivity index is calculated assuming a pseudo-steady state flow regime in the vicinity of the well and is therefore constant during the well production period. Such a pseudo-steady state assumption is no longer valid for the early time of a well test simulation as long as the pressure perturbation has not reached several grid-blocks around the well. This paper offers two different solutions to this problem: (1) The first one is based on the derivation of a Numerical Transient Productivity Index (NTPI) to be applied to Cartesian grids; (2) The second one is based on the use of a Corrected Transmissibility and Accumulation Term (CTAT) in the flow equation. The representation of the pressure behavior given by both solutions is far more accurate than the conventional one as shown by several validation examples which are presented in the following pages.
Numerical simulation of the hydrodynamical combustion to strange quark matter
Niebergal, Brian; Ouyed, Rachid; Jaikumar, Prashanth
We present results from a numerical solution to the burning of neutron matter inside a cold neutron star into stable u,d,s quark matter. Our method solves hydrodynamical flow equations in one dimension with neutrino emission from weak equilibrating reactions, and strange quark diffusion across the burning front. We also include entropy change from heat released in forming the stable quark phase. Our numerical results suggest burning front laminar speeds of 0.002-0.04 times the speed of light, much faster than previous estimates derived using only a reactive-diffusive description. Analytic solutions to hydrodynamical jump conditions with a temperature-dependent equation of state agree very well with our numerical findings for fluid velocities. The most important effect of neutrino cooling is that the conversion front stalls at lower density (below {approx_equal}2 times saturation density). In a two-dimensional setting, such rapid speeds and neutrino cooling may allow for a flame wrinkle instability to develop, possibly leading to detonation.
Numerical simulation of carbon arc discharge for nanoparticle synthesis
Kundrapu, M.; Keidar, M.
Arc discharge with catalyst-filled carbon anode in helium background was used for the synthesis of carbon nanoparticles. In this paper, we present the results of numerical simulation of carbon arc discharges with arc current varying from 10 A to 100 A in a background gas pressure of 68 kPa. Anode sublimation rate and current voltage characteristics are compared with experiments. Distribution of temperature and species density, which is important for the estimation of the growth of nanoparticles, is obtained. The probable location of nanoparticle growth region is identified based on the temperature range for the formation of catalyst clusters.
High numerical aperture projection system for extreme ultraviolet projection lithography
Hudyma, Russell M. (San Ramon, CA)
An optical system is described that is compatible with extreme ultraviolet radiation and comprises five reflective elements for projecting a mask image onto a substrate. The five optical elements are characterized in order from object to image as concave, convex, concave, convex, and concave mirrors. The optical system is particularly suited for ring field, step and scan lithography methods. The invention uses aspheric mirrors to minimize static distortion and balance the static distortion across the ring field width which effectively minimizes dynamic distortion. The present invention allows for higher device density because the optical system has improved resolution that results from the high numerical aperture, which is at least 0.14.
Numerical Modeling of WECS at Ecole Centrale de Nantes
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LHEEA CNRS UMR 6598 Laboratoire de recherche en Hydrodynamique Énergétique et Environnement Atmosphérique Numerical modelling of Wave Energy Converters at LHEEA Lab Ecole Centrale de Nantes (France) Alain H. CLEMENT Senior researcher Ocean Energy and Ocean Waves Group NREL MHK Workshop - Broomfield (CO) - 9-10 July 2012 LHEEA CNRS UMR 6598 Laboratoire de recherche en Hydrodynamique Énergétique et Environnement Atmosphérique NREL MHK Workshop - Broomfield (CO) - 9-10 July 2012 The Ocean
Numerical calculation of the ion polarization in MEIC
Derbenev, Yaroslav; Lin, Fanglei; Morozov, Vasiliy; Zhang, Yuhong; Kondratenko, Anatoliy; Kondratenko, M A; Filatov, Yury
Ion polarization in the Medium-energy Electron-Ion Collider (MEIC) is controlled by means of universal 3D spin rotators designed on the basis of "weak" solenoids. We use numerical calculations to demonstrate that the 3D rotators have negligible effect on the orbital properties of the ring. We present calculations of the polarization dynamics along the collider's orbit for both longitudinal and transverse polarization directions at a beam interaction point. We calculate the degree of depolarization due to the longitudinal and transverse beam emittances in case when the zero-integer spin resonance is compensated.
Advanced numerical methods in mesh generation and mesh adaptation
Lipnikov, Konstantine; Danilov, A; Vassilevski, Y; Agonzal, A
Numerical solution of partial differential equations requires appropriate meshes, efficient solvers and robust and reliable error estimates. Generation of high-quality meshes for complex engineering models is a non-trivial task. This task is made more difficult when the mesh has to be adapted to a problem solution. This article is focused on a synergistic approach to the mesh generation and mesh adaptation, where best properties of various mesh generation methods are combined to build efficiently simplicial meshes. First, the advancing front technique (AFT) is combined with the incremental Delaunay triangulation (DT) to build an initial mesh. Second, the metric-based mesh adaptation (MBA) method is employed to improve quality of the generated mesh and/or to adapt it to a problem solution. We demonstrate with numerical experiments that combination of all three methods is required for robust meshing of complex engineering models. The key to successful mesh generation is the high-quality of the triangles in the initial front. We use a black-box technique to improve surface meshes exported from an unattainable CAD system. The initial surface mesh is refined into a shape-regular triangulation which approximates the boundary with the same accuracy as the CAD mesh. The DT method adds robustness to the AFT. The resulting mesh is topologically correct but may contain a few slivers. The MBA uses seven local operations to modify the mesh topology. It improves significantly the mesh quality. The MBA method is also used to adapt the mesh to a problem solution to minimize computational resources required for solving the problem. The MBA has a solid theoretical background. In the first two experiments, we consider the convection-diffusion and elasticity problems. We demonstrate the optimal reduction rate of the discretization error on a sequence of adaptive strongly anisotropic meshes. The key element of the MBA method is construction of a tensor metric from hierarchical edge-based error estimates. We conclude that the quasi-optimal mesh must be quasi-uniform in this metric. All numerical experiments are based on the publicly available Ani3D package, the collection of advanced numerical instruments.
Numerical simulation model for vertical flow in geothermal wells
Tachimori, M.
A numerical simulation model for vertical flow in geothermal wells is presented. The model consists of equations for the conservation of mass, momentum, and energy, for thermodynamic state of water, for friction losses, for slip velocity relations, and of the criteria for various flow regimes. A new set of correlations and criteria is presented for two-phase flow to improve the accuracy of predictions; bubbly flow - Griffith and Wallis correlation, slug flow - Nicklin et al. one, annular-mist flow - Inoue and Aoki and modified by the author. The simulation method was verified by data from actual wells.
Chiswell, S.; Buckley, R.
During the year 2008, the United States National Weather Service (NWS) completed an eight fold increase in sampling capability for weather radars to 250 m resolution. This increase is expected to improve warning lead times by detecting small scale features sooner with increased reliability; however, current NWS operational model domains utilize grid spacing an order of magnitude larger than the radar data resolution, and therefore the added resolution of radar data is not fully exploited. The assimilation of radar reflectivity and velocity data into high resolution numerical weather model forecasts where grid spacing is comparable to the radar data resolution was investigated under a Laboratory Directed Research and Development (LDRD) 'quick hit' grant to determine the impact of improved data resolution on model predictions with specific initial proof of concept application to daily Savannah River Site operations and emergency response. Development of software to process NWS radar reflectivity and radial velocity data was undertaken for assimilation of observations into numerical models. Data values within the radar data volume undergo automated quality control (QC) analysis routines developed in support of this project to eliminate empty/missing data points, decrease anomalous propagation values, and determine error thresholds by utilizing the calculated variances among data values. The Weather Research and Forecasting model (WRF) three dimensional variational data assimilation package (WRF-3DVAR) was used to incorporate the QC'ed radar data into input and boundary conditions. The lack of observational data in the vicinity of SRS available to NWS operational models signifies an important data void where radar observations can provide significant input. These observations greatly enhance the knowledge of storm structures and the environmental conditions which influence their development. As the increase in computational power and availability has made higher resolution real-time model simulations possible, the need to obtain observations to both initialize numerical models and verify their output has become increasingly important. The assimilation of high resolution radar observations therefore provides a vital component in the development and utility of numerical model forecasts for both weather forecasting and contaminant transport, including future opportunities to improve wet deposition computations explicitly.
Numerical studies of the radiant flash pyrolysis of cellulose
Kothari, V.; Antal, M.J. Jr.
When biomass particles are heated very rapidly (temperatures greater than 1000 degrees/s) in an oxygen free environment, they undergo pyrolysis with the formation of little or no char. If concentrated solar energy is used to rapidly heat the particles their temperature may exceed that of the surrounding gaseous environment by several hundred degrees Celsius when pyrolysis occurs. This two temperature effect gives rise to the formation of high yields of syrups from the pyrolyzing biomass. Numerical exploration of the combined effects of heat and mass transfer on the radiative flash pyrolysis phenonmena are described in this paper. 12 references.
Numerical routines for predicting ignition in pyrotechnic devices
Pierce, K.G.
Two numerical models of the thermal processes leading to ignition in a pyrotechnic device have been developed. These models are based on finite difference approximations to the heat diffusion equation, with temperature-dependent thermal properties, in a single spatial coordinate. The derivation of the finite difference equations is discussed and the methods employed at boundaries and interfaces are given. The sources of the thermal-properties data are identified and how these data are used is explained. The program structure is explained and example runs of the programs are given.
A hybrid numerical fluid dynamics code for resistive magnetohydrodynamics
Spasmos is a computational fluid dynamics code that uses two numerical methods to solve the equations of resistive magnetohydrodynamic (MHD) flows in compressible, inviscid, conducting media[1]. The code is implemented as a set of libraries for the Python programming language[2]. It represents conducting and non-conducting gases and materials with uncomplicated (analytic) equations of state. It supports calculations in 1D, 2D, and 3D geometry, though only the 1D configuation has received significant testing to date. Because it uses the Python interpreter as a front end, users can easily write test programs to model systems with a variety of different numerical and physical parameters. Currently, the code includes 1D test programs for hydrodynamics (linear acoustic waves, the Sod weak shock[3], the Noh strong shock[4], the Sedov explosion[5], magnetic diffusion (decay of a magnetic pulse[6], a driven oscillatory "wine-cellar" problem[7], magnetic equilibrium), and magnetohydrodynamics (an advected magnetic pulse[8], linear MHD waves, a magnetized shock tube[9]). Spasmos current runs only in a serial configuration. In the future, it will use MPI for parallel computation.
Numerical analysis of the spatial range of the Kondo effect
Busser, C. A.; Martins, G. B.; Ribeiro, L. Costa; Vernek, E.; Anda, E. V.; Dagotto, Elbio R
The spatial length of the Kondo screening is still a controversial issue related to Kondo physics. While renormalization-group and Bethe-Ansatz solutions have provided detailed information about the thermodynamics of magnetic impurities, they are insufficient to study the effect on the surrounding electrons, i.e., the spatial range of the correlations created by the Kondo effect between the localized magnetic moment and the conduction electrons. The objective of this work is to present a quantitative way of measuring the extension of these correlations by studying their effect directly on the local density of states (LDOS) at arbitrary distances from the impurity. The numerical techniques used, the embedded cluster approximation, the finite-U slave bosons, and numerical renormalization group, calculate the Green s functions in real space. With this information, one can calculate how the local density of states away from the impurity is modified by its presence, below and above the Kondo temperature, and then estimate the range of the disturbances in the noninteracting Fermi sea due to the Kondo effect, and how it changes with the Kondo temperature TK. The results obtained agree with results obtained through spin-spin correlations, showing that the LDOS captures the phenomenology of the Kondo cloud as well.
Numerical Model for Conduction-Cooled Current Lead Heat Loads
White, M.J.; Wang, X.L.; Brueck, H.D.; /DESY
Current leads are utilized to deliver electrical power from a room temperature junction mounted on the vacuum vessel to a superconducting magnet located within the vacuum space of a cryostat. There are many types of current leads used at laboratories throughout the world; however, conduction-cooled current leads are often chosen for their simplicity and reliability. Conduction-cooled leads have the advantage of using common materials, have no superconducting/normal state transition, and have no boil-off vapor to collect. This paper presents a numerical model for conduction-cooled current lead heat loads. This model takes into account varying material and fluid thermal properties, varying thicknesses along the length of the lead, heat transfer in the circumferential and longitudinal directions, electrical power dissipation, and the effect of thermal intercepts. The model is validated by comparing the numerical model results to ideal cases where analytical equations are valid. In addition, the XFEL (X-Ray Free Electron Laser) prototype current leads are modeled and compared to the experimental results from testing at DESY's XFEL Magnet Test Stand (XMTS) and Cryomodule Test Bench (CMTB).
A hybrid numerical fluid dynamics code for resistive magnetohydrodynamics
Energy Science and Technology Software Center (OSTI)
Spasmos is a computational fluid dynamics code that uses two numerical methods to solve the equations of resistive magnetohydrodynamic (MHD) flows in compressible, inviscid, conducting media[1]. The code is implemented as a set of libraries for the Python programming language[2]. It represents conducting and non-conducting gases and materials with uncomplicated (analytic) equations of state. It supports calculations in 1D, 2D, and 3D geometry, though only the 1D configuation has received significant testing to date. Becausemore » it uses the Python interpreter as a front end, users can easily write test programs to model systems with a variety of different numerical and physical parameters. Currently, the code includes 1D test programs for hydrodynamics (linear acoustic waves, the Sod weak shock[3], the Noh strong shock[4], the Sedov explosion[5], magnetic diffusion (decay of a magnetic pulse[6], a driven oscillatory "wine-cellar" problem[7], magnetic equilibrium), and magnetohydrodynamics (an advected magnetic pulse[8], linear MHD waves, a magnetized shock tube[9]). Spasmos current runs only in a serial configuration. In the future, it will use MPI for parallel computation.« less
Numerical simulation of multi-layered textile composite reinforcement forming
Wang, P.; Hamila, N.; Boisse, P.
One important perspective in aeronautics is to produce large, thick or/and complex structural composite parts. The forming stage presents an important role during the whole manufacturing process, especially for LCM processes (Liquid Composites Moulding) or CFRTP (Continuous Fibre Reinforcements and Thermoplastic resin). Numerical simulations corresponding to multi-layered composite forming allow the prediction for a successful process to produce the thick parts, and importantly, the positions of the fibres after forming to be known. This paper details a set of simulation examples carried out by using a semi-discrete shell finite element made up of unit woven cells. The internal virtual work is applied on all woven cells of the element taking into account tensions, in-plane shear and bending effects. As one key problem, the contact behaviours of tool/ply and ply/ply are described in the numerical model. The simulation results not only improve our understanding of the multi-layered composite forming process but also point out the importance of the fibre orientation and inter-ply friction during formability.
Mathematical and Numerical Analyses of Peridynamics for Multiscale Materials Modeling
Du, Qiang
The rational design of materials, the development of accurate and efficient material simulation algorithms, and the determination of the response of materials to environments and loads occurring in practice all require an understanding of mechanics at disparate spatial and temporal scales. The project addresses mathematical and numerical analyses for material problems for which relevant scales range from those usually treated by molecular dynamics all the way up to those most often treated by classical elasticity. The prevalent approach towards developing a multiscale material model couples two or more well known models, e.g., molecular dynamics and classical elasticity, each of which is useful at a different scale, creating a multiscale multi-model. However, the challenges behind such a coupling are formidable and largely arise because the atomistic and continuum models employ nonlocal and local models of force, respectively. The project focuses on a multiscale analysis of the peridynamics materials model. Peridynamics can be used as a transition between molecular dynamics and classical elasticity so that the difficulties encountered when directly coupling those two models are mitigated. In addition, in some situations, peridynamics can be used all by itself as a material model that accurately and efficiently captures the behavior of materials over a wide range of spatial and temporal scales. Peridynamics is well suited to these purposes because it employs a nonlocal model of force, analogous to that of molecular dynamics; furthermore, at sufficiently large length scales and assuming smooth deformation, peridynamics can be approximated by classical elasticity. The project will extend the emerging mathematical and numerical analysis of peridynamics. One goal is to develop a peridynamics-enabled multiscale multi-model that potentially provides a new and more extensive mathematical basis for coupling classical elasticity and molecular dynamics, thus enabling next generation atomistic-to-continuum multiscale simulations. In addition, a rigorous studyof nite element discretizations of peridynamics will be considered. Using the fact that peridynamics is spatially derivative free, we will also characterize the space of admissible peridynamic solutions and carry out systematic analyses of the models, in particular rigorously showing how peridynamics encompasses fracture and other failure phenomena. Additional aspects of the project include the mathematical and numerical analysis of peridynamics applied to stochastic peridynamics models. In summary, the project will make feasible mathematically consistent multiscale models for the analysis and design of advanced materials.
Numerical Modeling of Impact Initiation of High Explosives
Wu, C J; Piggott, T; Yoh, J; Reaugh, J
We performed continuum mechanics simulations to examine the behavior of energetic materials in Ballistic Chamber Impact (BIC) experiments, using an Arbitrary Lagrangian-Eulerian code (ALE3D). Our simulations revealed that interface friction plays an important role in inducing the formation of shear bands, which result in 'hot spots' for ignition. The temperature localization during BIC impact was found to be significant in materials with high yield strength. In those materials, there are multiple locations inside shear bands can achieve temperatures exceeding the threshold temperature for reaction. In addition, we investigated the relevant parameters influencing the pressure profile of a BIC test by numerical analysis from a simple phenomenological model. To our surprise, we found that the peaks of BIC pressure profiles not only can be a result of multi-center chemical reactions, but can also arise from factors associated apparatus configuration.
Progress report on LBL's numerical modeling studies on Cerro Prieto
Halfman-Dooley, S.E.; Lippman, M.J.; Bodvarsson, G.S.
An exploitation model of the Cerro Prieto geothermal system is needed to assess the energy capacity of the field, estimate its productive lifetime and develop an optimal reservoir management plan. The model must consider the natural state (i.e., pre-exploitation) conditions of the system and be able to predict changes in the reservoir thermodynamic conditions (and fluid chemistry) in response to fluid production (and injection). This paper discusses the results of a three-dimensional numerical simulation of the natural state conditions of the Cerro Prieto field and compares computed and observed pressure and temperature/enthalpy changes for the 1973--1987 production period. 16 refs., 24 figs., 2 tabs.
Numerical studies of the radiant flash pyrolysis of cellulose
Kothari, V.; Antal, M.J.
When biomass particles are heated very rapidly (>1000/sup 0/C/s) in an oxygen free environment, they undergo pyrolysis with the formation of little or no char. If concentrated solar energy is used to rapidly heat the particles, their temperature may exceed that of the surrounding gaseous environment by several hundred degrees Celsius when pyrolysis occurs. This ''two temperature'' effect gives rise to the formation of high yields of sirups from the pyrolyzing biomass. Interest in the selective formation of sirups during the radiative flash pyrolysis of biomass caused the authors to initiate numerical explorations of the combined effects of heat and mass transfer on the radiative flash pyrolysis phenomena. These explorations are described in this paper.
Three dimensional numerical simulations of the UPS-292-SC engine
O'Rourke, P.J.; Amsden, A.A.
We present and analyze three-dimensional calculations of the spray, mixing and combustion in the UPS-292 stratified charge engine for three different operating conditions, corresponding to overall air-fuel ratios between 22.4 and 61.0. The numerical calculations are performed with KIVA, a multidimensional arbitrary-mesh, finite-difference hydrodynamics program for internal combustion engine applications. The calculations use a mesh of 10,000 computational cells, which conform to the shape of the piston bowl and cylinder and move to follow piston motion. Each operating condition is calculated from intake valve closure at 118/sup 0/ BTDC to 90/sup 0/ ATDC and requires approximately three hours of CRAY-XMP computer time.
A neural approach for the numerical modeling of two-dimensional magnetic
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hysteresis (Journal Article) | SciTech Connect A neural approach for the numerical modeling of two-dimensional magnetic hysteresis Citation Details In-Document Search Title: A neural approach for the numerical modeling of two-dimensional magnetic hysteresis This paper deals with a neural network approach to model magnetic hysteresis at macro-magnetic scale. Such approach to the problem seems promising in order to couple the numerical treatment of magnetic hysteresis to FEM numerical solvers
Michaut, C.; Cavet, C.; Bouquet, S. E.; Roy, F.; Nguyen, H. C.
The Vishniac instability is thought to explain the complex structure of radiative supernova remnants in their Pressure-Driven Thin Shell (PDTS) phase after a blast wave (BW) has propagated from a central explosion. In this paper, the propagation of the BW and the evolution of the PDTS stage are studied numerically with the two-dimensional (2D) code HYDRO-MUSCL for a finite-thickness shell expanding in the interstellar medium (ISM). Special attention is paid to the adiabatic index, {gamma}, and three distinct values are taken for the cavity ({gamma}{sub 1}), the shell ({gamma}{sub 2}), and the ISM ({gamma}{sub 3}) with the condition {gamma}{sub 2} < {gamma}{sub 1}, {gamma}{sub 3}. This low value of {gamma}{sub 2} accounts for the high density in the shell achieved by a strong radiative cooling. Once the spherical background flow is obtained, the evolution of a 2D-axisymmetric perturbation is computed from the linear to the nonlinear regime. The overstable mechanism, previously demonstrated theoretically by E. T. Vishniac in 1983, is recovered numerically in the linear stage and is expected to produce and enhance anisotropies and clumps on the shock front, leading to the disruption of the shell in the nonlinear phase. The period of the increasing oscillations and the growth rate of the instability are derived from several points of view (the position of the perturbed shock front, mass fluxes along the shell, and density maps), and the most unstable mode differing from the value given by Vishniac is computed. In addition, the influence of several parameters (the Mach number, amplitude and wavelength of the perturbation, and adiabatic index) is examined and for wavelengths that are large enough compared to the shell thickness, the same conclusion arises: in the late stage of the evolution of the radiative supernova remnant, the instability is dampened and the angular initial deformation of the shock front is smoothed while the mass density becomes uniform with the angle. As a result, our model shows that the supernova remnant returns to a stable evolution and the Vishniac instability does not lead to the fragmentation of the shock as predicted by the theory.
Partitioning of Eu between augite and a highly spiked martian basalt composition as a function of oxygen fugacity (IW-1 to QFM): Determination of Eu[superscript 2+]/Eu[superscript 3+] ratios by XANES
Karner, J.M.; Papike, J.J.; Sutton, S.R.; Burger, P.V.; Shearer, C.K.; Le, L.; Newville, M.; Choi, Y.
We have determined D{sub Eu} between augite and melt in samples that crystallized from a highly spiked martian basalt composition at four f{sub O{sub 2}} conditions. D{sub Eu} augite/melt shows a steady increase with f{sub O{sub 2}} from 0.086 at IW-1 to 0.274 at IW+3.5. This increase is because Eu{sup 3+} is more compatible than Eu{sup 2+} in the pyroxene structure; thus increasing f{sub O{sub 2}} leads to greater Eu{sup 3+}/Eu{sup 2+} in the melt and more Eu (total) can partition into the crystallizing pyroxene. This interpretation is supported by direct determinations of Eu valence state by XANES, which show a steady increase of Eu{sup 3+}/Eu{sup 2+} with increasing f{sub O{sub 2}} in both pyroxene (0.38 to 14.6) and glass (0.20 to 12.6) in the samples. Also, pyroxene Eu{sup 3+}/Eu{sup 2+} is higher than that of adjacent glass in all the samples, which verifies that Eu{sup 3+} is more compatible than Eu{sup 2+} in the pyroxene structure. Combining partitioning data with XANES data allows for the calculation of specific valence state D-values for augite/melt where D{sub Eu{sup 3+}} = 0.28 and D{sub Eu{sup 2+}} = 0.07.
Advanced Numerical Methods and Software Approaches for Semiconductor Device Simulation
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Carey, Graham F.; Pardhanani, A. L.; Bova, S. W.
In this article we concisely present several modern strategies that are applicable to driftdominated carrier transport in higher-order deterministic models such as the driftdiffusion, hydrodynamic, and quantum hydrodynamic systems. The approaches include extensions of "upwind" and artificial dissipation schemes, generalization of the traditional Scharfetter – Gummel approach, Petrov – Galerkin and streamline-upwind Petrov Galerkin (SUPG), "entropy" variables, transformations, least-squares mixed methods and other stabilized Galerkin schemes such as Galerkin least squares and discontinuous Galerkin schemes. The treatment is representative rather than an exhaustive review and several schemes are mentioned only briefly with appropriate reference to the literature. Some of themore » methods have been applied to the semiconductor device problem while others are still in the early stages of development for this class of applications. We have included numerical examples from our recent research tests with some of the methods. A second aspect of the work deals with algorithms that employ unstructured grids in conjunction with adaptive refinement strategies. The full benefits of such approaches have not yet been developed in this application area and we emphasize the need for further work on analysis, data structures and software to support adaptivity. Finally, we briefly consider some aspects of software frameworks. These include dial-an-operator approaches such as that used in the industrial simulator PROPHET, and object-oriented software support such as those in the SANDIA National Laboratory framework SIERRA.« less
Energy Science and Technology Software Center (OSTI)
UNIPACK is a computer interface that simplifies and enhances the use of numerical simulation tools to design a primary geometry and/or a forming die for a powder compact and/or to design the pressing process used to shape a powder by compaction. More particularly, it is an interface that utilizes predefined generic geometric configurations to simplify the use of finite element method modeling software to simply and more efficiently design: (1) the shape and size amore » powder compact; (2) a forming die to shape a powder compact; and/or (3) the pressing process used to form a powder compact. UNIPACK is a user interface for a predictive model for powder compaction that incorporates unprecedented flexibility to design powder press tooling and powder pressing processes. UNIPACK works with the Sandia National Laboratories (SNL) Engineering Analysis Cide Access System (SEACAS) to generate a finite element (FE) mesh and automatically perform a FE analysis of powder compaction. UNIPACK was developed to allow a non-expert with minimal training to quickly and easily design/construct a variable dimension component or die in real time on a desktop or laptop personal computer.« less
Numerical simulation of linear fiction welding (LFW) processes
Fratini, L.; La Spisa, D. [University of Palermo-Dept. of Industrial engineering (Italy)
Solid state welding processes are becoming increasingly important due to a large number of advantages related to joining ''unweldable'' materials and in particular light weight alloys. Linear friction welding (LFW) has been used successfully to bond non-axisymmetric components of a range of materials including titanium alloys, steels, aluminum alloys, nickel, copper, and also dissimilar material combinations. The technique is useful in the research of quality of the joints and in reducing costs of components and parts of the aeronautic and automotive industries.LFW involves parts to be welded through the relative reciprocating motion of two components under an axial force. In such process the heat source is given by the frictional forces work decaying into heat determining a local softening of the material and proper bonding conditions due to both the temperature increase and the local pressure of the two edges to be welded. This paper is a comparative test between the numerical model in two dimensions, i.e. in plane strain conditions, and in three dimensions of a LFW process of AISI1045 steel specimens. It must be observed that the 3D model assures a faithful simulation of the actual threedimensional material flow, even if the two-dimensional simulation computational times are very short, a few hours instead of several ones as the 3D model. The obtained results were compared with experimental values found out in the scientific literature.
Numeric spectral radiation hydrodynamic calculations of supernova shock breakouts
Sapir, Nir; Halbertal, Dorri
We present here an efficient numerical scheme for solving the non-relativistic one-dimensional radiation-hydrodynamics equations including inelastic Compton scattering, which is not included in most codes and is crucial for solving problems such as shock breakout. The devised code is applied to the problems of a steady-state planar radiation mediated shock (RMS) and RMS breakout from a stellar envelope. The results are in agreement with those of a previous work on shock breakout, in which Compton equilibrium between matter and radiation was assumed and the 'effective photon' approximation was used to describe the radiation spectrum. In particular, we show that the luminosity and its temporal dependence, the peak temperature at breakout, and the universal shape of the spectral fluence derived in this earlier work are all accurate. Although there is a discrepancy between the spectral calculations and the effective photon approximation due to the inaccuracy of the effective photon approximation estimate of the effective photon production rate, which grows with lower densities and higher velocities, the difference in peak temperature reaches only 30% for the most discrepant cases of fast shocks in blue supergiants. The presented model is exemplified by calculations for supernova 1987A, showing the detailed evolution of the burst spectrum. The incompatibility of the stellar envelope shock breakout model results with observed properties of X-ray flashes (XRFs) and the discrepancy between the predicted and observed rates of XRFs remain unexplained.
Advances in the numerical modeling of field-reversed configurations
Belova, Elena V.; Davidson, Ronald C.; Ji, Hantao; Yamada, Masaaki
The field-reversed configuration (FRC) is a compact torus with little or no toroidal magnetic field. A theoretical understanding of the observed FRC equilibrium and stability properties presents significant challenges due to the high plasma beta, plasma flows, large ion gyroradius, and the stochasticity of the particle orbits. Advanced numerical simulations are generally required to describe and understand the detailed behavior of FRC plasmas. Results of such simulations are presented in this paper. It is shown that 3D nonlinear hybrid simulations using the HYM code [E. V. Belova et al., Phys. Plasmas 7, 4996 (2000)] reproduce all major experimentally observed stability properties of elongated (theta-pinch-formed) FRCs. Namely, the scaling of the growth rate of the n=1 tilt mode with the S*/E parameter (S* is the FRC kinetic parameter, E is elongation, and n is toroidal mode number), the nonlinear saturation of the tilt mode, ion toroidal spin-up, and the growth of the n=2 rotational mode have been demonstrated and studied in detail. The HYM code has also been used to study stability properties of FRCs formed by the counterhelicity spheromak merging method. A new stability regime has been found for FRCs with elongation E{approx}1, which requires a close-fitting conducting shell and energetic beam ion stabilization.
Comparison of numerical models of a pyrotechnic device
Pierce, K.G.
The predictions of two numerical models of a hot-wire initiated pyrotechnic device are compared to each other and to experimental results. Both models employ finite difference approximations to the heat diffusion equation in cylindrical coordinates. The temperature dependence of the thermal properties of the pyrotechnic materials and of the bridgewire are modeled. An Arrhenius' model is used to describe the exothermic reaction in the powder. One model employs a single radial coordinate and predicts the radial temperature distribution in the bridgewire and surrounding powder mass. In addition to the radial coordinate, the other model also employs a longitudinal coordinate to predict the temperature distribution parallel to the axis of the bridgewire. The predictions of the two-dimensional model concerning the energy requirements for ignition and the energy losses from the ends of the bridgewire are presented. A comparison of the predictions of the two models and the development of thermal gradients are employed to define the regime where the assumption, in the one-dimensional model, of negligible heat transfer axial to the bridgewire does not lead to significant error. The general problems associated with predicting ignition from a diffusion model are also discussed.
Numerical simulation of plasma heating of a composite powder particle
Demetriou, M.D.; Lavine, A.S.; Ghoniem, N.M.
The use of fine composite powder particles (composed of a ceramic core and a metallic coating) in plasma spraying processes is desirable in developing thin film coatings that possess high abrasion as well as high fracture resistance. Quantitative knowledge of the thermal behavior of a composite particle in a plasma beam is essential in optimizing the process variables to achieve uniform melting of the coating material. In this work, a numerical model is developed to analyze the in-flight thermal behavior of a spherically symmetric WC-Co composite particle travelling in an argon arc-jet DC plasma under strongly unsteady plasma conditions. The model gives quantitative as well as qualitative information about the thermal response of the heated particle. The important features that are addressed are the temperature response of the particle; the history of the location of the melting and vaporization fronts; and the physical state of the particle at the end of its flight. For the conditions investigated, it was determined that the internal conduction resistance is negligible as compared to the net external resistance. However, the presence of the ceramic base was found to affect the transient heating process since its content in the particle composition determines the time constant of the process. Another interesting observation is that proper selection of the particle injection speed and injection location can be effective means for optimizing the heating process and achieving uniform melting of the coating material.
Numerical investigation of spontaneous flame propagation under RCCI conditions
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Bhagatwala, Ankit V; Sankaran, Ramanan; Kokjohn, Sage; Chen, Jacqueline H
This paper presents results from one and two-dimensional direct numerical simulations under Reactivity Controlled Compression Ignition (RCCI) conditions of a primary reference fuel (PRF) mixture consisting of n-heptane and iso-octane. RCCI uses in-cylinder blending of two fuels with different autoignition characteristics to control combustion phasing and the rate of heat release. These simulations employ an improved model of compression heating through mass source/sink terms developed in a previous work by Bhagatwala et al. (2014), which incorporates feedback from the flow to follow a predetermined experimental pressure trace. Two-dimensional simulations explored parametric variations with respect to temperature stratification, pressure profiles andmore » n-heptane concentration. Furthermore, statistics derived from analysis of diffusion/reaction balances locally normal to the flame surface were used to elucidate combustion characteristics for the different cases. Both deflagration and spontaneous ignition fronts were observed to co-exist, however it was found that higher n-heptane concentration provided a greater degree of flame propagation, whereas lower n-heptane concentration (higher fraction of iso-octane) resulted in more spontaneous ignition fronts. A significant finding was that simulations initialized with a uniform initial temperature and a stratified n-heptane concentration field, resulted in a large fraction of combustion occurring through flame propagation. The proportion of spontaneous ignition fronts increased at higher pressures due to shorter ignition delay when other factors were held constant. For the same pressure and fuel concentration, the contribution of flame propagation to the overall combustion was found to depend on the level of thermal stratification, with higher initial temperature gradients resulting in more deflagration and lower gradients generating more ignition fronts. Statistics of ignition delay are computed to assess the Zel'dovich (1980) theory for the mode of combustion propagation based on ignition delay gradients.« less
Numerical investigation of spontaneous flame propagation under RCCI conditions
Bhagatwala, Ankit V; Sankaran, Ramanan; Kokjohn, Sage; Chen, Jacqueline H
This paper presents results from one and two-dimensional direct numerical simulations under Reactivity Controlled Compression Ignition (RCCI) conditions of a primary reference fuel (PRF) mixture consisting of n-heptane and iso-octane. RCCI uses in-cylinder blending of two fuels with different autoignition characteristics to control combustion phasing and the rate of heat release. These simulations employ an improved model of compression heating through mass source/sink terms developed in a previous work by Bhagatwala et al. (2014), which incorporates feedback from the flow to follow a predetermined experimental pressure trace. Two-dimensional simulations explored parametric variations with respect to temperature stratification, pressure profiles and n-heptane concentration. Furthermore, statistics derived from analysis of diffusion/reaction balances locally normal to the flame surface were used to elucidate combustion characteristics for the different cases. Both deflagration and spontaneous ignition fronts were observed to co-exist, however it was found that higher n-heptane concentration provided a greater degree of flame propagation, whereas lower n-heptane concentration (higher fraction of iso-octane) resulted in more spontaneous ignition fronts. A significant finding was that simulations initialized with a uniform initial temperature and a stratified n-heptane concentration field, resulted in a large fraction of combustion occurring through flame propagation. The proportion of spontaneous ignition fronts increased at higher pressures due to shorter ignition delay when other factors were held constant. For the same pressure and fuel concentration, the contribution of flame propagation to the overall combustion was found to depend on the level of thermal stratification, with higher initial temperature gradients resulting in more deflagration and lower gradients generating more ignition fronts. Statistics of ignition delay are computed to assess the Zel'dovich (1980) theory for the mode of combustion propagation based on ignition delay gradients.
Numerical modeling of the SNS H{sup ?} ion source
Veitzer, Seth A.; Beckwith, Kristian R. C.; Kundrapu, Madhusudhan; Stoltz, Peter H.
Ion source rf antennas that produce H- ions can fail when plasma heating causes ablation of the insulating coating due to small structural defects such as cracks. Reducing antenna failures that reduce the operating capabilities of the Spallation Neutron Source (SNS) accelerator is one of the top priorities of the SNS H- Source Program at ORNL. Numerical modeling of ion sources can provide techniques for optimizing design in order to reduce antenna failures. There are a number of difficulties in developing accurate models of rf inductive plasmas. First, a large range of spatial and temporal scales must be resolved in order to accurately capture the physics of plasma motion, including the Debye length, rf frequencies on the order of tens of MHz, simulation time scales of many hundreds of rf periods, large device sizes on tens of cm, and ion motions that are thousands of times slower than electrons. This results in large simulation domains with many computational cells for solving plasma and electromagnetic equations, short time steps, and long-duration simulations. In order to reduce the computational requirements, one can develop implicit models for both fields and particle motions (e.g. divergence-preserving ADI methods), various electrostatic models, or magnetohydrodynamic models. We have performed simulations using all three of these methods and have found that fluid models have the greatest potential for giving accurate solutions while still being fast enough to perform long timescale simulations in a reasonable amount of time. We have implemented a number of fluid models with electromagnetics using the simulation tool USim and applied them to modeling the SNS H- ion source. We found that a reduced, single-fluid MHD model with an imposed magnetic field due to the rf antenna current and the confining multi-cusp field generated increased bulk plasma velocities of > 200 m/s in the region of the antenna where ablation is often observed in the SNS source. We report here on comparisons of simulated plasma parameters and code performance using more accurate physical models, such as two-temperature extended MHD models, for both a related benchmark system describing a inductively coupled plasma reactor, and for the SNS ion source. We also present results from scaling studies for mesh generation and solvers in the USim simulation code.
Numerical studies of active current profile control in the reversed-field pinch
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Toroidal Viscosity for Tokamaks (Technical Report) | SciTech Connect Numerical Verification of Bounce Harmonic Resonances in Neoclassical Toroidal Viscosity for Tokamaks Citation Details In-Document Search Title: Numerical Verification of Bounce Harmonic Resonances in Neoclassical Toroidal Viscosity for Tokamaks This Letter presents the rst numerical veri cation for the bounce-harmonic (BH) resonance phenomena of the neoclassical transport in a tokamak perturbed by non-axisymmetric magnetic
Numerical method to test a theoretical model of the quantum interferen...
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A numerical method is provided to fit the experimental conductivity to the complicated conductivity expression for the quantum interference effect of Anderson localization. This ...
Numerical Study of Velocity Shear Stabilization of 3D and Theoretical...
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We studied the feasibility of resonantly driving GAMs in tokamaks. A numerical simulation ... Experimental implications of this were quantified. Theoretical support was provided for ...
On the Numerical Dispersion of Electromagnetic Particle-In-Cell Code : Finite Grid Instability
Meyers, Michael David; Huang, Chengkun; Zeng, Yong; Yi, Sunghwan; Albright, Brian James
The Particle-In-Cell (PIC) method is widely used in relativistic particle beam and laser plasma modeling. However, the PIC method exhibits numerical instabilities that can render unphysical simulation results or even destroy the simulation. For electromagnetic relativistic beam and plasma modeling, the most relevant numerical instabilities are the finite grid instability and the numerical Cherenkov instability. We review the numerical dispersion relation of the electromagnetic PIC algorithm to analyze the origin of these instabilities. We rigorously derive the faithful 3D numerical dispersion of the PIC algorithm, and then specialize to the Yee FDTD scheme. In particular, we account for the manner in which the PIC algorithm updates and samples the fields and distribution function. Temporal and spatial phase factors from solving Maxwell's equations on the Yee grid with the leapfrog scheme are also explicitly accounted for. Numerical solutions to the electrostatic-like modes in the 1D dispersion relation for a cold drifting plasma are obtained for parameters of interest. In the succeeding analysis, we investigate how the finite grid instability arises from the interaction of the numerical 1D modes admitted in the system and their aliases. The most significant interaction is due critically to the correct representation of the operators in the dispersion relation. We obtain a simple analytic expression for the peak growth rate due to this interaction.
Numerical simulation of scattering of acoustic waves by inelastic bodies using hypersingular boundary integral equation
Daeva, S.G.; Setukha, A.V.
A numerical method for solving a problem of diffraction of acoustic waves by system of solid and thin objects based on the reduction the problem to a boundary integral equation in which the integral is understood in the sense of finite Hadamard value is proposed. To solve this equation we applied piecewise constant approximations and collocation methods numerical scheme. The difference between the constructed scheme and earlier known is in obtaining approximate analytical expressions to appearing system of linear equations coefficients by separating the main part of the kernel integral operator. The proposed numerical scheme is tested on the solution of the model problem of diffraction of an acoustic wave by inelastic sphere.
Geology of the Waste Treatment Plant Seismic Boreholes
Barnett, D. BRENT; Bjornstad, Bruce N.; Fecht, Karl R.; Lanigan, David C.; Reidel, Steve; Rust, Colleen F.
In 2006, DOE-ORP initiated the Seismic Boreholes Project (SBP) to emplace boreholes at the Waste Treatment Plant (WTP) site in order to obtain direct Vs measurements and other physical property measurements in Columbia River basalt and interbedded sediments of the Ellensburg Formation. The goal was to reduce the uncertainty in the response spectra and seismic design basis, and potentially recover design margin for the WTP. The characterization effort within the deep boreholes included 1) downhole measurements of the velocity properties of the suprabasalt, basalt, and sedimentary interbed sequences, 2) downhole measurements of the density of the subsurface basalt and sediments, and 3) confirmation of the geometry of the contact between the various basalt and interbedded sediments through examination of retrieved core from the corehole and data collected through geophysical logging of each borehole. This report describes the results of the geologic studies from three mud-rotary boreholes and one cored borehole at the WTP. All four boreholes penetrated the entire Saddle Mountains Basalt and the upper part of the Wanapum Basalt where thick sedimentary interbeds occur between the lava flows. The basalt flows penetrated in Saddle Mountains Basalt included the Umatilla Member, Esquatzel Member, Pomona Member and the Elephant Mountain Member. The underlying Priest Rapids Member of the Wanapum Basalt was also penetrated. The Ellensburg Formation sediments consist of the Mabton Interbed, the Cold Creek Interbed, the Selah Interbed and the Rattlesnake Ridge Interbed; the Byron Interbed occurs between two flows of the Priest Rapids Member. The Mabton Interbed marks the contact between the Wanapum and Saddle Mountains Basalts. The thicknesses of the basalts and interbedded sediments were within expected limits. However, a small reverse fault was found in the Pomona Member flow top. This fault has three periods of movement and less than 15 feet of repeated section. Most of the movement on the fault appears to have occurred before the youngest lava flow, the 10.5 million year old Elephant Mountain Member was emplaced above the Pomona Member.
Numerical thermalization in particle-in-cell simulations with Monte-Carlo collisions
Lai, P. Y.; Lin, T. Y.; Lin-Liu, Y. R.; Chen, S. H.
Numerical thermalization in collisional one-dimensional (1D) electrostatic (ES) particle-in-cell (PIC) simulations was investigated. Two collision models, the pitch-angle scattering of electrons by the stationary ion background and large-angle collisions between the electrons and the neutral background, were included in the PIC simulation using Monte-Carlo methods. The numerical results show that the thermalization times in both models were considerably reduced by the additional Monte-Carlo collisions as demonstrated by comparisons with Turner's previous simulation results based on a head-on collision model [M. M. Turner, Phys. Plasmas 13, 033506 (2006)]. However, the breakdown of Dawson's scaling law in the collisional 1D ES PIC simulation is more complicated than that was observed by Turner, and the revised scaling law of the numerical thermalization time with numerical parameters are derived on the basis of the simulation results obtained in this study.
Numerical research of the optimal control problem in the semi-Markov inventory model
Gorshenin, Andrey K.
This paper is devoted to the numerical simulation of stochastic system for inventory management products using controlled semi-Markov process. The results of a special software for the system�s research and finding the optimal control are presented.
Numerical simulation of tectonic plates motion and seismic process in Central Asia
Peryshkin, A. Yu.; Makarov, P. V. Eremin, M. O.
An evolutionary approach proposed in [1, 2] combining the achievements of traditional macroscopic theory of solid mechanics and basic ideas of nonlinear dynamics is applied in a numerical simulation of present-day tectonic plates motion and seismic process in Central Asia. Relative values of strength parameters of rigid blocks with respect to the soft zones were characterized by the ? parameter that was varied in the numerical experiments within ? = 1.1�1.8 for different groups of the zonal-block divisibility. In general, the numerical simulations of tectonic block motion and accompanying seismic process in the model geomedium indicate that the numerical solutions of the solid mechanics equations characterize its deformation as a typical behavior of a nonlinear dynamic system under conditions of self-organized criticality.
Numerical modeling of self-limiting and self-enhancing caprock...
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by CO2 storage in a depleted gas reservoir Citation Details In-Document Search Title: Numerical modeling of self-limiting and self-enhancing caprock alteration induced by CO2 ...
A numerical study of crack initiation in a bcc iron system based...
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direct numerical results to the dynamic bifurcation theory R. Haberman, SIAM J. Appl. Math. 37, 69-106 (1979). Authors: Li, Xiantao, E-mail: email@example.com 1 + Show Author...
Force-controlled absorption in a fully-nonlinear numerical wave tank
Spinneken, Johannes Christou, Marios; Swan, Chris
An active control methodology for the absorption of water waves in a numerical wave tank is introduced. This methodology is based upon a force-feedback technique which has previously been shown to be very effective in physical wave tanks. Unlike other methods, an a-priori knowledge of the wave conditions in the tank is not required; the absorption controller being designed to automatically respond to a wide range of wave conditions. In comparison to numerical sponge layers, effective wave absorption is achieved on the boundary, thereby minimising the spatial extent of the numerical wave tank. In contrast to the imposition of radiation conditions, the scheme is inherently capable of absorbing irregular waves. Most importantly, simultaneous generation and absorption can be achieved. This is an important advance when considering inclusion of reflective bodies within the numerical wave tank. In designing the absorption controller, an infinite impulse response filter is adopted, thereby eliminating the problem of non-causality in the controller optimisation. Two alternative controllers are considered, both implemented in a fully-nonlinear wave tank based on a multiple-flux boundary element scheme. To simplify the problem under consideration, the present analysis is limited to water waves propagating in a two-dimensional domain. The paper presents an extensive numerical validation which demonstrates the success of the method for a wide range of wave conditions including regular, focused and random waves. The numerical investigation also highlights some of the limitations of the method, particularly in simultaneously generating and absorbing large amplitude or highly-nonlinear waves. The findings of the present numerical study are directly applicable to related fields where optimum absorption is sought; these include physical wavemaking, wave power absorption and a wide range of numerical wave tank schemes.
Experimental And Numerical Investigation Of An Optimized Airfoil For Vertical Axis Wind Turbines
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and numerical investigation of an optimized airfoil for vertical axis wind turbines Daniele Ragni Delft University of Technology - DUWind Carlos Sim~ ao Ferreira Delft University of Technology - DUWind Matthew Barone Sandia National Laboratories ∗ The present study addresses the experimental and numerical verification of the per- formance of a new airfoil design for lift driven vertical-axis wind-turbines (VAWT). The airfoil is obtained by a genetic algorithm optimization of the objective
A Numerical Comparison of Rule Ensemble Methods and Support Vector Machines
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(Technical Report) | SciTech Connect A Numerical Comparison of Rule Ensemble Methods and Support Vector Machines Citation Details In-Document Search Title: A Numerical Comparison of Rule Ensemble Methods and Support Vector Machines Machine or statistical learning is a growing field that encompasses many scientific problems including estimating parameters from data, identifying risk factors in health studies, image recognition, and finding clusters within datasets, to name just a few
Numerical Study of Velocity Shear Stabilization of 3D and Theoretical
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Considerations for Centrifugally Confined Plasmas and Other Interchange-Limited Fusion Concepts (Technical Report) | SciTech Connect Numerical Study of Velocity Shear Stabilization of 3D and Theoretical Considerations for Centrifugally Confined Plasmas and Other Interchange-Limited Fusion Concepts Citation Details In-Document Search Title: Numerical Study of Velocity Shear Stabilization of 3D and Theoretical Considerations for Centrifugally Confined Plasmas and Other Interchange-Limited
Numerical analysis of the spatial range of the Kondo effect (Journal
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Article) | SciTech Connect Numerical analysis of the spatial range of the Kondo effect Citation Details In-Document Search Title: Numerical analysis of the spatial range of the Kondo effect The spatial length of the Kondo screening is still a controversial issue related to Kondo physics. While renormalization-group and Bethe-Ansatz solutions have provided detailed information about the thermodynamics of magnetic impurities, they are insufficient to study the effect on the surrounding
Development of Numerical Simulation Capabilities for In Situ Heating of Oil
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Shale (Conference) | SciTech Connect Conference: Development of Numerical Simulation Capabilities for In Situ Heating of Oil Shale Citation Details In-Document Search Title: Development of Numerical Simulation Capabilities for In Situ Heating of Oil Shale Authors: Hoda, Nazish [1] ; Fang, Chen [1] ; Kelkar, Sharad [2] ; Pawar, Rajesh J. [2] + Show Author Affiliations ExxonMobil Upstream Research Company, Houston, TX, USA Los Alamos National Laboratory Publication Date: 2012-12-06 OSTI
Experimental and numerical investigation of one-dimensional waterflood in porous reservoir
Hadia, N.; Chaudhari, L.; Mitra, Sushanta K.; Aggarwal, A.; Vinjamur, M.; Singh, R.
Experimental and numerical investigation of relative permeability and oil recovery from the porous reservoir are described for short and long core samples. The relative permeability ratios, which are function of water saturation, obtained from laboratory core flooding experiments have been used for prediction of oil recovery through numerical simulation of non-dimensional Buckley-Leverett equation. The simulation results for oil recovery compared well with recovery results obtained from core flooding experiments. (author)
Three-dimensional Numerical Analysis on Blade Response of Vertical Axis
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Tidal Current Turbine Under Operational Condition (Journal Article) | SciTech Connect Three-dimensional Numerical Analysis on Blade Response of Vertical Axis Tidal Current Turbine Under Operational Condition Citation Details In-Document Search Title: Three-dimensional Numerical Analysis on Blade Response of Vertical Axis Tidal Current Turbine Under Operational Condition Tidal power as a large-scale renewable source of energy has been receiving significant attention recently because of its
Numerical and experimental investigation of melting with internal heat generation within cylindrical enclosures
Amber Shrivastava; Brian Williams; Ali S. Siahpush; Bruce Savage; John Crepeau
There have been significant efforts by the heat transfer community to investigate the melting phenomenon of materials. These efforts have included the analytical development of equations to represent melting, numerical development of computer codes to assist in modeling the phenomena, and collection of experimental data. The understanding of the melting phenomenon has application in several areas of interest, for example, the melting of a Phase Change Material (PCM) used as a thermal storage medium as well as the melting of the fuel bundle in a nuclear power plant during an accident scenario. The objective of this research is two-fold. First a numerical investigation, using computational fluid dynamics (CFD), of melting with internal heat generation for a vertical cylindrical geometry is presented. Second, to the best of authors knowledge, there are very limited number of engineering experimental results available for the case of melting with Internal Heat Generation (IHG). An experiment was performed to produce such data using resistive, or Joule, heating as the IHG mechanism. The numerical results are compared against the experimental results and showed favorable correlation. Uncertainties in the numerical and experimental analysis are discussed. Based on the numerical and experimental analysis, recommendations are made for future work.
Subtask 2.2 - Creating A Numerical Technique for Microseismic Data Inversion
Anastasia Dobroskok; Yevhen Holubnyak; James Sorensen
Geomechanical and geophysical monitoring are the techniques which can complement each other and provide enhancement in the solutions of many problems of geotechnical engineering. One of the most promising geophysical techniques is passive seismic monitoring. The essence of the technique is recording the acoustic signals produced in the subsurface, either naturally or in response to human activity. The acoustic signals are produced by mechanical displacements on the contacts of structural elements (e.g., faults, boundaries of rock blocks, natural and induced fractures). The process can be modeled by modern numerical techniques developed in geomechanics. The report discusses a study that was aimed at the unification of the passive seismic monitoring and numerical modeling for the monitoring of the hydraulic fracture propagation. The approach adopted in the study consisted of numerical modeling of the seismicity accompanying hydraulic fracture propagation and defining seismic attributes and patterns characterizing the process and fracture parameters. Numerical experiments indicated that the spatial distribution of seismic events is correlated to geometrical parameters of hydrofracture. Namely, the highest density of the events is observed along fracture contour, and projection of the events to the fracture plane makes this effect most pronounced. The numerical experiments also showed that dividing the totality of the events into groups corresponding to the steps of fracture propagation allows for reconstructing the geometry of the resulting fracture more accurately than has been done in the majority of commercial applications.
Haihua Zhao; Ling Zou; Hongbin Zhang; Richard Martineau
The RELAP-7 code is the next generation of nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). All the physics in RELAP-7 are fully coupled and the errors resulted from the traditional operator-splitting approach are eliminated. By using 2nd order methods in both time and space and eliminating operator-splitting errors, the numerical error of RELAP-7 can be minimized. Numerical verification is the process to verify the orders of numerical methods. It is an important part of modern verification and validation process. The core channel component in RELAP-7 is designed to simulate coolant flow as well as the conjugated heat transfer between coolant flow and the fuel rod. A special treatment at fuel centerline to avoid numerical singularity for the cylindrical heat conduction in the continuous finite element mesh is discussed. One steady state test case and one fast power up transient test case are utilized for the verification of the core channel model with single-phase flow. Analytical solution for the fuel pin temperature and figures of merit such as peak clad temperature and peak fuel temperature are used to define numerical errors. These cases prove that the mass and energy are well conserved and 2nd order convergence rates for both time and space are achieved in the core channel model.
Numerical approaches to combustion modeling. Progress in Astronautics and Aeronautics. Vol. 135
Oran, E.S.; Boris, J.P. )
Various papers on numerical approaches to combustion modeling are presented. The topics addressed include; ab initio quantum chemistry for combustion; rate coefficient calculations for combustion modeling; numerical modeling of combustion of complex hydrocarbons; combustion kinetics and sensitivity analysis computations; reduction of chemical reaction models; length scales in laminar and turbulent flames; numerical modeling of laminar diffusion flames; laminar flames in premixed gases; spectral simulations of turbulent reacting flows; vortex simulation of reacting shear flow; combustion modeling using PDF methods. Also considered are: supersonic reacting internal flow fields; studies of detonation initiation, propagation, and quenching; numerical modeling of heterogeneous detonations, deflagration-to-detonation transition to reactive granular materials; toward a microscopic theory of detonations in energetic crystals; overview of spray modeling; liquid drop behavior in dense and dilute clusters; spray combustion in idealized configurations: parallel drop streams; comparisons of deterministic and stochastic computations of drop collisions in dense sprays; ignition and flame spread across solid fuels; numerical study of pulse combustor dynamics; mathematical modeling of enclosure fires; nuclear systems.
Numerical solution of the time dependent neutron transport equation by the method of the characteristics
Talamo, Alberto
This study presents three numerical algorithms to solve the time dependent neutron transport equation by the method of the characteristics. The algorithms have been developed taking into account delayed neutrons and they have been implemented into the novel MCART code, which solves the neutron transport equation for two-dimensional geometry and an arbitrary number of energy groups. The MCART code uses regular mesh for the representation of the spatial domain, it models up-scattering, and takes advantage of OPENMP and OPENGL algorithms for parallel computing and plotting, respectively. The code has been benchmarked with the multiplication factor results of a Boiling Water Reactor, with the analytical results for a prompt jump transient in an infinite medium, and with PARTISN and TDTORT results for cross section and source transients. The numerical simulations have shown that only two numerical algorithms are stable for small time steps.
Numerical design of SiC bulk crystal growth for electronic applications
Wejrzanowski, T.; Grybczuk, M.; Kurzydlowski, K. J.; Tymicki, E.
Presented study concerns numerical simulation of Physical Vapor Transport (PVT) growth of bulk Silicon Carbide (SiC) crystals. Silicon Carbide is a wide band gap semiconductor, with numerous applications due to its unique properties. Wider application of SiC is limited by high price and insufficient quality of the product. Those problems can be overcame by optimizing SiC production methods. Experimental optimization of SiC production is expensive because it is time consuming and requires large amounts of energy. Numerical modeling allows to learn more about conditions inside the reactor and helps to optimize the process at much lower cost. In this study several simulations of processes with different reactor geometries were presented along with discussion of reactor geometry influence on obtained monocrystal shape and size.
Electromagnetic scattering problems -Numerical issues and new experimental approaches of validation
Geise, Robert; Neubauer, Bjoern; Zimmer, Georg
Electromagnetic scattering problems, thus the question how radiated energy spreads when impinging on an object, are an essential part of wave propagation. Though the Maxwell�s differential equations as starting point, are actually quite simple,the integral formulation of an object�s boundary conditions, respectively the solution for unknown induced currents can only be solved numerically in most cases.As a timely topic of practical importance the scattering of rotating wind turbines is discussed, the numerical description of which is still based on rigorous approximations with yet unspecified accuracy. In this context the issue of validating numerical solutions is addressed, both with reference simulations but in particular with the experimental approach of scaled measurements. For the latter the idea of an incremental validation is proposed allowing a step by step validation of required new mathematical models in scattering theory.
Numerical Simulation of Horizontal Continuous Casting Process of C194 Copper Alloy
Huang Guojie; Xie Shuisheng; Cheng Lei; Cheng Zhenkang [State Key Laboratory for Fabrication and Processing of Nonferrous Metals, Beijing General Research Institute for Non-ferrous Metals, China, 100088 (China)
Horizontal Continuous Casting (H.C.C) is an important method to cast C194 copper ingot. In this paper, numerical simulation is adopted to investigate the casting process in order to optimize the H.C.C technical parameters, such as the casting temperature, casting speed and cooling intensity. According to the numerical results, the reasonable parameters are that the casting temperature is between 1383K{approx}1463K, the casting speed is between 7.2m/h{approx}10.8m/h and the speed of cooling water is between 3.6m/s{approx}4.6m/s. The results of numerical simulation provide the significant reference to the subsequent experiments.
Foundation heat exchangers for residential ground source heat pump systems Numerical modeling and experimental validation
Xing, Lu; Cullin, James; Spitler, Jeffery; Im, Piljae; Fisher, Daniel
A new type of ground heat exchanger that utilizes the excavation often made for basements or foundations has been proposed as an alternative to conventional ground heat exchangers. This article describes a numerical model that can be used to size these foundation heat exchanger (FHX) systems. The numerical model is a two-dimensional finite-volume model that considers a wide variety of factors, such as soil freezing and evapotranspiration. The FHX numerical model is validated with one year of experimental data collected at an experimental house located near Oak Ridge, Tennessee. The model shows good agreement with the experimental data-heat pump entering fluid temperatures typically within 1 C (1.8 F) - with minor discrepancies due to approximations, such as constant moisture content throughout the year, uniform evapotranspiration over the seasons, and lack of ground shading in the model.
Litvinenko, Yuri E.; Noble, P. L.
Focused particle transport in a nonuniform large-scale magnetic field is investigated numerically in the case of isotropic pitch-angle scattering. Evolving particle density profiles and distribution moments are computed from solutions of a system of stochastic differential equations, equivalent to the original Fokker-Planck equation for the particle distribution. Conflicting analytical predictions for the transport coefficients in the diffusion limit, independently calculated by Beeck and Wibberenz and Shalchi, are compared with the numerical results. The reasons for the discrepancies among the analytical and numerical treatments, as well as the general limitations of the diffusion model, are discussed. The telegraph equation, derived in a higher-order expansion of the particle distribution function, is shown to describe the particle transport much more accurately than the diffusion model, especially ahead of a moving density pulse.
Discrete kinetic eigenmode spectra of electron plasma oscillations in weakly collisional plasma: A numerical study
Black, Carrie; Ng, C. S.
It has been demonstrated that in the presence of weak collisions, described by the Lenard-Bernstein (LB) collision operator, the Landau-damped solutions become true eigenmodes of the system and constitute a complete set [C.-S. Ng et al., Phys. Rev. Lett. 83, 1974 (1999) and C. S. Ng et al., Phys. Rev. Lett. 96, 065002 (2004)]. We present numerical results from an Eulerian Vlasov code that incorporates the Lenard-Bernstein collision operator [A. Lenard and I. B. Bernstein, Phys. Rev. 112, 1456 (1958)]. The effect of collisions on the numerical recursion phenomenon seen in Vlasov codes is discussed. The code is benchmarked against exact linear eigenmode solutions in the presence of weak collisions, and a spectrum of Landau-damped solutions is determined within the limits of numerical resolution. Tests of the orthogonality and the completeness relation are presented.
Numerical Analysis of Fixed Point Algorithms in the Presence of Hardware
Office of Scientific and Technical Information (OSTI)
Faults (Technical Report) | SciTech Connect Numerical Analysis of Fixed Point Algorithms in the Presence of Hardware Faults Citation Details In-Document Search Title: Numerical Analysis of Fixed Point Algorithms in the Presence of Hardware Faults Authors: Stoyanov, Miroslav K [1] ; Webster, Clayton G [1] + Show Author Affiliations ORNL Publication Date: 2013-08-01 OSTI Identifier: 1089785 Report Number(s): ORNL/TM-2013/283 KJ0402000; ERKJU16 DOE Contract Number: DE-AC05-00OR22725 Resource
Numerical Simulation of Ni Grain Growth in a Thermal Gradient. (Conference)
Office of Scientific and Technical Information (OSTI)
| SciTech Connect Numerical Simulation of Ni Grain Growth in a Thermal Gradient. Citation Details In-Document Search Title: Numerical Simulation of Ni Grain Growth in a Thermal Gradient. Abstract not provided. Authors: Mitchell, John Anthony ; Tikare, Veena Publication Date: 2015-03-01 OSTI Identifier: 1246844 Report Number(s): SAND2015-1665C 579723 DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation: Conference: Proposed for presentation at the SIAM Conference on
Numerical modeling of aerial bursts and ablation melting of Libyan desert
Office of Scientific and Technical Information (OSTI)
glass. (Conference) | SciTech Connect Numerical modeling of aerial bursts and ablation melting of Libyan desert glass. Citation Details In-Document Search Title: Numerical modeling of aerial bursts and ablation melting of Libyan desert glass. No abstract prepared. Authors: Boslough, Mark Bruce Elrick Publication Date: 2006-07-01 OSTI Identifier: 892766 Report Number(s): SAND2006-4263C TRN: US200623%%501 DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation:
Yang, Zhaoqing; Wang, Taiping; Copping, Andrea
This paper presents an application of a hydrodynamic model to simulate tidal energy extraction in a tidal dominated estuary in the Pacific Northwest coast. A series of numerical experiments were carried out to simulate tidal energy extraction with different turbine array configurations, including location, spacing and array size. Preliminary model results suggest that array optimization for tidal energy extraction in a real-world site is a very complex process that requires consideration of multiple factors. Numerical models can be used effectively to assist turbine siting and array arrangement in a tidal turbine farm for tidal energy extraction.
Data summary of municipal solid waste management alternatives. Volume 12, Numerically indexed bibliography
This appendix contains the numerically indexed bibliography for the complete group of reports on municipal solid waste management alternatives. The list references information on the following topics: mass burn technologies, RDF technologies, fluidized bed combustion, pyrolysis and gasification of MSW, materials recovery- recycling technologies, sanitary landfills, composting and anaerobic digestion of MSW.
Numerical Studies of Collective Phenomena in Two-Dimensional Electron and Cold Atom Systems
Rezayi, Edward
Numerical calculations were carried out to investigate a number of outstanding questions in both two-dimensional electron and cold atom systems. These projects aimed to increase our understanding of the properties of and prospects for non-Abelian states in quantum Hall matter.
Numerical simulation of transient, incongruent vaporization induced by high power laser
Tsai, C.H.
A mathematical model and numerical calculations were developed to solve the heat and mass transfer problems specifically for uranum oxide subject to laser irradiation. It can easily be modified for other heat sources or/and other materials. In the uranium-oxygen system, oxygen is the preferentially vaporizing component, and as a result of the finite mobility of oxygen in the solid, an oxygen deficiency is set up near the surface. Because of the bivariant behavior of uranium oxide, the heat transfer problem and the oxygen diffusion problem are coupled and a numerical method of simultaneously solving the two boundary value problems is studied. The temperature dependence of the thermal properties and oxygen diffusivity, as well as the highly ablative effect on the surface, leads to considerable non-linearities in both the governing differential equations and the boundary conditions. Based on the earlier work done in this laboratory by Olstad and Olander on Iron and on Zirconium hydride, the generality of the problem is expanded and the efficiency of the numerical scheme is improved. The finite difference method, along with some advanced numerical techniques, is found to be an efficient way to solve this problem.
Numerical study of self modulation instability of 1 nC electron bunch at ATF
Fang Yun; Mori, Warren; Muggli, Patric
The development of self-modulation instability (SMI) is investigated numerically for the 1 nC electron bunch available at Accelerator Test Facility (ATF) of Brookhaven National Laboratory (BNL). Possible experiment based on the simulation results is proposed. All the simulations are performed with the 2D-cylindrically symmetric particle-in-cell code.
Numerical errors in the presence of steep topography: analysis and alternatives
Lundquist, K A; Chow, F K; Lundquist, J K
It is well known in computational fluid dynamics that grid quality affects the accuracy of numerical solutions. When assessing grid quality, properties such as aspect ratio, orthogonality of coordinate surfaces, and cell volume are considered. Mesoscale atmospheric models generally use terrain-following coordinates with large aspect ratios near the surface. As high resolution numerical simulations are increasingly used to study topographically forced flows, a high degree of non-orthogonality is introduced, especially in the vicinity of steep terrain slopes. Numerical errors associated with the use of terrainfollowing coordinates can adversely effect the accuracy of the solution in steep terrain. Inaccuracies from the coordinate transformation are present in each spatially discretized term of the Navier-Stokes equations, as well as in the conservation equations for scalars. In particular, errors in the computation of horizontal pressure gradients, diffusion, and horizontal advection terms have been noted in the presence of sloping coordinate surfaces and steep topography. In this work we study the effects of these spatial discretization errors on the flow solution for three canonical cases: scalar advection over a mountain, an atmosphere at rest over a hill, and forced advection over a hill. This study is completed using the Weather Research and Forecasting (WRF) model. Simulations with terrain-following coordinates are compared to those using a flat coordinate, where terrain is represented with the immersed boundary method. The immersed boundary method is used as a tool which allows us to eliminate the terrain-following coordinate transformation, and quantify numerical errors through a direct comparison of the two solutions. Additionally, the effects of related issues such as the steepness of terrain slope and grid aspect ratio are studied in an effort to gain an understanding of numerical domains where terrain-following coordinates can successfully be used and those domains where the solution would benefit from the use of the immersed boundary method.
Recent numerical and algorithmic advances within the volume tracking framework for modeling interfacial flows
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
François, Marianne M.
A review of recent advances made in numerical methods and algorithms within the volume tracking framework is presented. The volume tracking method, also known as the volume-of-fluid method has become an established numerical approach to model and simulate interfacial flows. Its advantage is its strict mass conservation. However, because the interface is not explicitly tracked but captured via the material volume fraction on a fixed mesh, accurate estimation of the interface position, its geometric properties and modeling of interfacial physics in the volume tracking framework remain difficult. Several improvements have been made over the last decade to address these challenges.more » In this study, the multimaterial interface reconstruction method via power diagram, curvature estimation via heights and mean values and the balanced-force algorithm for surface tension are highlighted.« less
Effects of numerical methods on comparisons between experiments and simulations of shock-accelerated mixing.
Rider, William; Kamm, J. R.; Tomkins, C. D.; Zoldi, C. A.; Prestridge, K. P.; Marr-Lyon, M.; Rightley, P. M.; Benjamin, R. F.
We consider the detailed structures of mixing flows for Richtmyer-Meshkov experiments of Prestridge et al. [PRE 00] and Tomkins et al. [TOM 01] and examine the most recent measurements from the experimental apparatus. Numerical simulations of these experiments are performed with three different versions of high resolution finite volume Godunov methods. We compare experimental data with simulations for configurations of one and two diffuse cylinders of SF{sub 6} in air using integral measures as well as fractal analysis and continuous wavelet transforms. The details of the initial conditions have a significant effect on the computed results, especially in the case of the double cylinder. Additionally, these comparisons reveal sensitive dependence of the computed solution on the numerical method.
Analysis of the flamelet concept in the numerical simulation of laminar partially premixed flames
Consul, R.; Oliva, A.; Perez-Segarra, C.D.; Carbonell, D.; de Goey, L.P.H.
The aim of this work is to analyze the application of flamelet models based on the mixture fraction variable and its dissipation rate to the numerical simulation of partially premixed flames. Although the main application of these models is the computation of turbulent flames, this work focuses on the performance of flamelet concept in laminar flame simulations removing, in this way, turbulence closure interactions. A well-known coflow methane/air laminar flame is selected. Five levels of premixing are taken into account from an equivalence ratio {phi}={infinity} (nonpremixed) to {phi}=2.464. Results obtained using the flamelet approaches are compared to data obtained from the detailed solution of the complete transport equations using primitive variables. Numerical simulations of a counterflow flame are also presented to support the discussion of the results. Special emphasis is given to the analysis of the scalar dissipation rate modeling. (author)
A review of recent advances of numerical simulations of microscale fuel processors for hydrogen production
Holladay, Jamelyn D.; Wang, Yong
Microscale (<5W) reformers for hydrogen production have been investigated for over a decade. These devices are intended to provide hydrogen for small fuel cells. Due to the reformer's small size, numerical simulations are critical to understand heat and mass transfer phenomena occurring in the systems. This paper reviews the development of the numerical codes and details the reaction equations used. The majority of the devices utilized methanol as the fuel due to methanol's low reforming temperature and high conversion, although, there are several methane fueled systems. As computational power has decreased in cost and increased in availability, the codes increased in complexity and accuracy. Initial models focused on the reformer, while more recently, the simulations began including other unit operations such as vaporizers, inlet manifolds, and combustors. These codes are critical for developing the next generation systems. The systems reviewed included, plate reactors, microchannel reactors, annulus reactors, wash-coated, packed bed systems.
Numerical Simulation of Combustion and Rotor-Stator Interaction in a Turbine Combustor
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Isvoranu, Dragos D.; Cizmas, Paul G. A.
This article presents the development of a numerical algorithm for the computation of flow and combustion in a turbine combustor. The flow and combustion are modeled by the Reynolds-averaged Navier-Stokes equations coupled with the species-conservation equations. The chemistry model used herein is a two-step, global, finite-rate combustion model for methane and combustion gases. The governing equations are written in the strong conservation form and solved using a fully implicit, finite-difference approximation. The gas dynamics and chemistry equations are fully decoupled. A correction technique has been developed to enforce the conservation of mass fractions. The numerical algorithm developed herein has beenmore » used to investigate the flow and combustion in a one-stage turbine combustor.« less
Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets
Rossi, Tuomas P. Sakko, Arto; Puska, Martti J.; Lehtola, Susi; Nieminen, Risto M.
We present an approach for generating local numerical basis sets of improving accuracy for first-principles nanoplasmonics simulations within time-dependent density functional theory. The method is demonstrated for copper, silver, and gold nanoparticles that are of experimental interest but computationally demanding due to the semi-core d-electrons that affect their plasmonic response. The basis sets are constructed by augmenting numerical atomic orbital basis sets by truncated Gaussian-type orbitals generated by the completeness-optimization scheme, which is applied to the photoabsorption spectra of homoatomic metal atom dimers. We obtain basis sets of improving accuracy up to the complete basis set limit and demonstrate that the performance of the basis sets transfers to simulations of larger nanoparticles and nanoalloys as well as to calculations with various exchange-correlation functionals. This work promotes the use of the local basis set approach of controllable accuracy in first-principles nanoplasmonics simulations and beyond.
Verifying the error bound of numerical computation implemented in computer systems
Sawada, Jun
A verification tool receives a finite precision definition for an approximation of an infinite precision numerical function implemented in a processor in the form of a polynomial of bounded functions. The verification tool receives a domain for verifying outputs of segments associated with the infinite precision numerical function. The verification tool splits the domain into at least two segments, wherein each segment is non-overlapping with any other segment and converts, for each segment, a polynomial of bounded functions for the segment to a simplified formula comprising a polynomial, an inequality, and a constant for a selected segment. The verification tool calculates upper bounds of the polynomial for the at least two segments, beginning with the selected segment and reports the segments that violate a bounding condition.
Numerical Investigation of Flapwise-Torsional Vibration Model of a Smart Section Blade with Microtab
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Li, Nailu; Balas, Mark J.; Yang, Hua; Jiang, Wei; Magar, Kaman T.
This study presents a method to develop an aeroelastic model of a smart section blade equipped with microtab. The model is suitable for potential passive vibration control study of the blade section in classic flutter. Equations of the model are described by the nondimensional flapwise and torsional vibration modes coupled with the aerodynamic model based on the Theodorsen theory and aerodynamic effects of the microtab based on the wind tunnel experimental data. The aeroelastic model is validated using numerical data available in the literature and then utilized to analyze the microtab control capability on flutter instability case and divergence instabilitymore » case. The effectiveness of the microtab is investigated with the scenarios of different output controllers and actuation deployments for both instability cases. The numerical results show that the microtab can effectively suppress both vibration modes with the appropriate choice of the output feedback controller.« less
Numerical analysis for high-efficiency GaAs solar cells fabricated on Si substrates
Yamaguchi, M.; Amano, C.; Itoh, Y.
This paper describes some recent developments in GaAs thin-film solar cells fabricated on Si substrates by metalorganic chemical vapor deposition and numerically analyzes them.GaAs solar cells with efficiency of more than 18% are successfully fabricated on Si substrates by reducing the dislocation density. Photovoltaic properties of GaAs/Si cells are analyzed by considering the effect of nonuniform dislocation distribution on recombination properties of GaAs thin films on Si substrates. Numerical analysis shows that the effect of majority-carrier trapping must be considered. High efficiency GaAs solar cells with total-area efficiency of over 20% on Si substrates can be realized if dislocation density can be reduced to less than 5/times/10/sup 5/ cm/sup /minus/2/.
Numerical simulations of stripping effects in high-intensity hydrogen ion linacs
Carneiro, J.-P.; Mustapha, B.; Ostroumov, P.N.; /Argonne
Numerical simulations of H{sup -} stripping losses from blackbody radiation, electromagnetic fields, and residual gas have been implemented into the beam dynamics code TRACK. Estimates of the stripping losses along two high-intensity H{sup -} linacs are presented: the Spallation Neutron Source linac currently being operated at Oak Ridge National Laboratory and an 8 GeV superconducting linac currently being designed at Fermi National Accelerator Laboratory.
Numerical simulations of impulsively generated Alfv�n waves in solar magnetic arcades
Chmielewski, P.; Murawski, K.; Musielak, Z. E.; Srivastava, A. K.
We perform numerical simulations of impulsively generated Alfv�n waves in an isolated solar arcade, which is gravitationally stratified and magnetically confined. We study numerically the propagation of Alfv�n waves along the magnetic structure that extends from the lower chromosphere, where the waves are generated, to the solar corona, and analyze the influence of the arcade size and the width of the initial pulses on the wave propagation and reflection. Our model of the solar atmosphere is constructed by adopting the temperature distribution based on the semi-empirical VAL-C model and specifying the curved magnetic field lines that constitute the asymmetric magnetic arcade. The propagation and reflection of Alfv�n waves in this arcade is described by 2.5-dimensional magnetohydrodynamic equations that are numerically solved by the FLASH code. Our numerical simulations reveal that the Alfv�n wave amplitude decreases as a result of a partial reflection of Alfv�n waves in the solar transition region, and that the waves that are not reflected leak through the transition region and reach the solar corona. We also find the decrement of the attenuation time of Alfv�n waves for wider initial pulses. Moreover, our results show that the propagation of Alfv�n waves in the arcade is affected by the spatial dependence of the Alfv�n speed, which leads to phase mixing that is stronger for more curved and larger magnetic arcades. We discuss the processes that affect the Alfv�n wave propagation in an asymmetric solar arcade and conclude that besides phase mixing in the magnetic field configuration, the plasma properties of the arcade, the size of the initial pulse, and the structure of the solar transition region all play a vital role in the Alfv�n wave propagation.
A numerical homogenization method for heterogeneous, anisotropic elastic media based on multiscale theory
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Gao, Kai; Chung, Eric T.; Gibson, Richard L.; Fu, Shubin; Efendiev, Yalchin
The development of reliable methods for upscaling fine scale models of elastic media has long been an important topic for rock physics and applied seismology. Several effective medium theories have been developed to provide elastic parameters for materials such as finely layered media or randomly oriented or aligned fractures. In such cases, the analytic solutions for upscaled properties can be used for accurate prediction of wave propagation. However, such theories cannot be applied directly to homogenize elastic media with more complex, arbitrary spatial heterogeneity. We therefore propose a numerical homogenization algorithm based on multiscale finite element methods for simulating elasticmore » wave propagation in heterogeneous, anisotropic elastic media. Specifically, our method used multiscale basis functions obtained from a local linear elasticity problem with appropriately defined boundary conditions. Homogenized, effective medium parameters were then computed using these basis functions, and the approach applied a numerical discretization that is similar to the rotated staggered-grid finite difference scheme. Comparisons of the results from our method and from conventional, analytical approaches for finely layered media showed that the homogenization reliably estimated elastic parameters for this simple geometry. Additional tests examined anisotropic models with arbitrary spatial heterogeneity where the average size of the heterogeneities ranged from several centimeters to several meters, and the ratio between the dominant wavelength and the average size of the arbitrary heterogeneities ranged from 10 to 100. Comparisons to finite-difference simulations proved that the numerical homogenization was equally accurate for these complex cases.« less
Theoretical, numerical and experimental investigation of centrifugal pumps in reverse operation
Derakhshan, Shahram; Nourbakhsh, Ahmad
When a pump works as a turbine, its hydraulic behavior will be changed. Several methods have been developed to predict the best efficiency of pumps running as turbines but their results are not in good coincidence with experimental data for all pumps. Therefore, study and investigation of hydraulic behavior of pumps in reverse operation can be useful. In this study, the best efficiency point of an industrial centrifugal pump running as turbine was achieved using a theoretical analysis. This method tries to estimate hydraulic components of reverse (turbine) mode using direct (pump) mode. In the next step, the pump was simulated in direct and reverse modes by computational fluid dynamics. 3D full Navier-Stokes equations were solved using FineTurbo V.7 flow solver. Using numerical results, complete characteristic curves of the pump in direct and reverse modes were obtained. For experimental verification of theoretical and numerical results, the pump was tested as a turbine in a test rig. All required parameters were measured to achieve complete characteristic curves of the reverse pump. The theoretical and numerical results were compared with experimental data and some other methods. (author)
Chaotic advection at large P�clet number: Electromagnetically driven experiments, numerical simulations, and theoretical predictions
Figueroa, Aldo [Facultad de Ciencias, Universidad Aut�noma del Estado de Morelos, Cuernavaca, Morelos 62209 (Mexico)] [Facultad de Ciencias, Universidad Aut�noma del Estado de Morelos, Cuernavaca, Morelos 62209 (Mexico); Meunier, Patrice; Villermaux, Emmanuel [Aix-Marseille Univ., CNRS, Centrale Marseille, IRPHE, Marseille F-13384 (France)] [Aix-Marseille Univ., CNRS, Centrale Marseille, IRPHE, Marseille F-13384 (France); Cuevas, Sergio; Ramos, Eduardo [Instituto de Energ�as Renovables, Universidad Nacional Aut�noma de M�xico, A.P. 34, Temixco, Morelos 62580 (Mexico)] [Instituto de Energ�as Renovables, Universidad Nacional Aut�noma de M�xico, A.P. 34, Temixco, Morelos 62580 (Mexico)
We present a combination of experiment, theory, and modelling on laminar mixing at large P�clet number. The flow is produced by oscillating electromagnetic forces in a thin electrolytic fluid layer, leading to oscillating dipoles, quadrupoles, octopoles, and disordered flows. The numerical simulations are based on the Diffusive Strip Method (DSM) which was recently introduced (P. Meunier and E. Villermaux, �The diffusive strip method for scalar mixing in two-dimensions,� J. Fluid Mech. 662, 134�172 (2010)) to solve the advection-diffusion problem by combining Lagrangian techniques and theoretical modelling of the diffusion. Numerical simulations obtained with the DSM are in reasonable agreement with quantitative dye visualization experiments of the scalar fields. A theoretical model based on log-normal Probability Density Functions (PDFs) of stretching factors, characteristic of homogeneous turbulence in the Batchelor regime, allows to predict the PDFs of scalar in agreement with numerical and experimental results. This model also indicates that the PDFs of scalar are asymptotically close to log-normal at late stages, except for the large concentration levels which correspond to low stretching factors.
Solving the Bateman equations in CASMO5 using implicit ode numerical methods for stiff systems
Hykes, J. M.; Ferrer, R. M.
The Bateman equations, which describe the transmutation of nuclides over time as a result of radioactive decay, absorption, and fission, are often numerically stiff. This is especially true if short-lived nuclides are included in the system. This paper describes the use of implicit numerical methods for o D Es applied to the stiff Bateman equations, specifically employing the Backward Differentiation Formulas (BDF) form of the linear multistep method. As is true in other domains, using an implicit method removes or lessens the (sometimes severe) step-length constraints by which explicit methods must abide. To gauge its accuracy and speed, the BDF method is compared to a variety of other solution methods, including Runge-Kutta explicit methods and matrix exponential methods such as the Chebyshev Rational Approximation Method (CRAM). A preliminary test case was chosen as representative of a PWR lattice depletion step and was solved with numerical libraries called from a Python front-end. The Figure of Merit (a combined measure of accuracy and efficiency) for the BDF method was nearly identical to that for CRAM, while explicit methods and other matrix exponential approximations trailed behind. The test case includes 319 nuclides, in which the shortest-lived nuclide is {sup 98}Nb with a half-life of 2.86 seconds. Finally, the BDF and CRAM methods were compared within CASMO5, where CRAM had a FOM about four times better than BDF, although the BDF implementation was not fully optimized. (authors)
A new dipolar potential for numerical simulations of polar fluids on the 4D hypersphere
Caillol, Jean-Michel; Trulsson, Martin
We present a new method for Monte Carlo or Molecular Dynamics numerical simulations of three-dimensional polar fluids. The simulation cell is defined to be the surface of the northern hemisphere of a four-dimensional (hyper)sphere. The point dipoles are constrained to remain tangent to the sphere and their interactions are derived from the basic laws of electrostatics in this geometry. The dipole-dipole potential has two singularities which correspond to the following boundary conditions: when a dipole leaves the northern hemisphere at some point of the equator, it reappears at the antipodal point bearing the same dipole moment. We derive all the formal expressions needed to obtain the thermodynamic and structural properties of a polar liquid at thermal equilibrium in actual numerical simulation. We notably establish the expression of the static dielectric constant of the fluid as well as the behavior of the pair correlation at large distances. We report and discuss the results of extensive numerical Monte Carlo simulations for two reference states of a fluid of dipolar hard spheres and compare these results with previous methods with a special emphasis on finite size effects.
Numerical Simulations of Subscale Wind Turbine Rotor Inboard Airfoils at Low Reynolds Number
Blaylock, Myra L.; Maniaci, David Charles; Resor, Brian R.
New blade designs are planned to support future research campaigns at the SWiFT facility in Lubbock, Texas. The sub-scale blades will reproduce specific aerodynamic characteristics of utility-scale rotors. Reynolds numbers for megawatt-, utility-scale rotors are generally above 2-8 million. The thickness of inboard airfoils for these large rotors are typically as high as 35-40%. The thickness and the proximity to three-dimensional flow of these airfoils present design and analysis challenges, even at the full scale. However, more than a decade of experience with the airfoils in numerical simulation, in the wind tunnel, and in the field has generated confidence in their performance. Reynolds number regimes for the sub-scale rotor are significantly lower for the inboard blade, ranging from 0.7 to 1 million. Performance of the thick airfoils in this regime is uncertain because of the lack of wind tunnel data and the inherent challenge associated with numerical simulations. This report documents efforts to determine the most capable analysis tools to support these simulations in an effort to improve understanding of the aerodynamic properties of thick airfoils in this Reynolds number regime. Numerical results from various codes of four airfoils are verified against previously published wind tunnel results where data at those Reynolds numbers are available. Results are then computed for other Reynolds numbers of interest.
Combined experimental and numerical evaluation of a prototype nano-PCM enhanced wallboard
Biswas, Kaushik; LuPh.D., Jue; Soroushian, Parviz; Shrestha, Som S
In the United States, forty-eight (48) percent of the residential end-use energy consumption is spent on space heating and air conditioning. Reducing envelope-generated heating and cooling loads through application of phase change material (PCM)-enhanced building envelopes can facilitate maximizing the energy efficiency of buildings. Combined experimental testing and numerical modeling of PCM-enhanced envelope components are two important aspects of the evaluation of their energy benefits. An innovative phase change material (nano-PCM) was developed with PCM encapsulated with expanded graphite (interconnected) nanosheets, which is highly conductive for enhanced thermal storage and energy distribution, and is shape-stable for convenient incorporation into lightweight building components. A wall with cellulose cavity insulation and prototype PCM-enhanced interior wallboards was built and tested in a natural exposure test (NET) facility in a hot-humid climate location. The test wall contained PCM wallboards and regular gypsum wallboard, for a side-by-side annual comparison study. Further, numerical modeling of the walls containing the nano-PCM wallboard was performed to determine its actual impact on wall-generated heating and cooling loads. The model was first validated using experimental data, and then used for annual simulations using Typical Meteorological Year (TMY3) weather data. This article presents the measured performance and numerical analysis evaluating the energy-saving potential of the nano-PCM-enhanced wallboard.
Experimental and numerical analysis of metal leaching from fly ash-amended highway bases
Cetin, Bora; Aydilek, Ahmet H.; Li, Lin
Highlights: Black-Right-Pointing-Pointer This study is the evaluation of leaching potential of fly ash-lime mixed soils. Black-Right-Pointing-Pointer This objective is met with experimental and numerical analysis. Black-Right-Pointing-Pointer Zn leaching decreases with increase in fly ash content while Ba, B, Cu increases. Black-Right-Pointing-Pointer Decrease in lime content promoted leaching of Ba, B and Cu while Zn increases. Black-Right-Pointing-Pointer Numerical analysis predicted lower field metal concentrations. - Abstract: A study was conducted to evaluate the leaching potential of unpaved road materials (URM) mixed with lime activated high carbon fly ashes and to evaluate groundwater impacts of barium, boron, copper, and zinc leaching. This objective was met by a combination of batch water leach tests, column leach tests, and computer modeling. The laboratory tests were conducted on soil alone, fly ash alone, and URM-fly ash-lime kiln dust mixtures. The results indicated that an increase in fly ash and lime content has significant effects on leaching behavior of heavy metals from URM-fly ash mixture. An increase in fly ash content and a decrease in lime content promoted leaching of Ba, B and Cu whereas Zn leaching was primarily affected by the fly ash content. Numerically predicted field metal concentrations were significantly lower than the peak metal concentrations obtained in laboratory column leach tests, and field concentrations decreased with time and distance due to dispersion in soil vadose zone.
A numerical homogenization method for heterogeneous, anisotropic elastic media based on multiscale theory
Gao, Kai; Chung, Eric T.; Gibson, Richard L.; Fu, Shubin; Efendiev, Yalchin
The development of reliable methods for upscaling fine scale models of elastic media has long been an important topic for rock physics and applied seismology. Several effective medium theories have been developed to provide elastic parameters for materials such as finely layered media or randomly oriented or aligned fractures. In such cases, the analytic solutions for upscaled properties can be used for accurate prediction of wave propagation. However, such theories cannot be applied directly to homogenize elastic media with more complex, arbitrary spatial heterogeneity. We therefore propose a numerical homogenization algorithm based on multiscale finite element methods for simulating elastic wave propagation in heterogeneous, anisotropic elastic media. Specifically, our method used multiscale basis functions obtained from a local linear elasticity problem with appropriately defined boundary conditions. Homogenized, effective medium parameters were then computed using these basis functions, and the approach applied a numerical discretization that is similar to the rotated staggered-grid finite difference scheme. Comparisons of the results from our method and from conventional, analytical approaches for finely layered media showed that the homogenization reliably estimated elastic parameters for this simple geometry. Additional tests examined anisotropic models with arbitrary spatial heterogeneity where the average size of the heterogeneities ranged from several centimeters to several meters, and the ratio between the dominant wavelength and the average size of the arbitrary heterogeneities ranged from 10 to 100. Comparisons to finite-difference simulations proved that the numerical homogenization was equally accurate for these complex cases.
Numerical Modeling of the Lake Mary Road Bridge for Foundation Reuse Assessment
Sitek, M. A.; Bojanowski, C.; Lottes, S. A.
This project uses numerical techniques to assess the structural integrity and capacity of the bridge foundations and, as a result, reduces the risk associated with reusing the same foundation for a new superstructure. Nondestructive test methods of different types were used in combination with the numerical modeling and analysis. The onsite tests included visual inspection, tomography, ground penetrating radar, drilling boreholes and coreholes, and the laboratory tests on recovered samples. The results were utilized to identify the current geometry of the structure with foundation, including the hidden geometry of the abutments and piers, and soil and foundation material properties. This data was used to build the numerical models and run computational analyses on a high performance computer cluster to assess the structural integrity of the bridge and foundations including the suitability of the foundation for reuse with a new superstructure and traffic that will increase the load on the foundations. Computational analysis is more cost-effective and gives an advantage of getting more detailed knowledge about the structural response. It also enables to go beyond non-destructive testing and find the failure conditions without destroying the structure under consideration.
Numerical stability of relativistic beam multidimensional PIC simulations employing the Esirkepov algorithm
Godfrey, Brendan B.; Vay, Jean-Luc
Rapidly growing numerical instabilities routinely occur in multidimensional particle-in-cell computer simulations of plasma-based particle accelerators, astrophysical phenomena, and relativistic charged particle beams. Reducing instability growth to acceptable levels has necessitated higher resolution grids, high-order field solvers, current filtering, etc. except for certain ratios of the time step to the axial cell size, for which numerical growth rates and saturation levels are reduced substantially. This paper derives and solves the cold beam dispersion relation for numerical instabilities in multidimensional, relativistic, electromagnetic particle-in-cell programs employing either the standard or the Cole�Karkkainnen finite difference field solver on a staggered mesh and the common Esirkepov current-gathering algorithm. Good overall agreement is achieved with previously reported results of the WARP code. In particular, the existence of select time steps for which instabilities are minimized is explained. Additionally, an alternative field interpolation algorithm is proposed for which instabilities are almost completely eliminated for a particular time step in ultra-relativistic simulations.
On a framework for generating PoD curves assisted by numerical simulations
Subair, S. Mohamed Agrawal, Shweta Balasubramaniam, Krishnan Rajagopal, Prabhu; Kumar, Anish; Rao, Purnachandra B.; Tamanna, Jayakumar
The Probability of Detection (PoD) curve method has emerged as an important tool for the assessment of the performance of NDE techniques, a topic of particular interest to the nuclear industry where inspection qualification is very important. The conventional experimental means of generating PoD curves though, can be expensive, requiring large data sets (covering defects and test conditions), and equipment and operator time. Several methods of achieving faster estimates for PoD curves using physics-based modelling have been developed to address this problem. Numerical modelling techniques are also attractive, especially given the ever-increasing computational power available to scientists today. Here we develop procedures for obtaining PoD curves, assisted by numerical simulation and based on Bayesian statistics. Numerical simulations are performed using Finite Element analysis for factors that are assumed to be independent, random and normally distributed. PoD curves so generated are compared with experiments on austenitic stainless steel (SS) plates with artificially created notches. We examine issues affecting the PoD curve generation process including codes, standards, distribution of defect parameters and the choice of the noise threshold. We also study the assumption of normal distribution for signal response parameters and consider strategies for dealing with data that may be more complex or sparse to justify this. These topics are addressed and illustrated through the example case of generation of PoD curves for pulse-echo ultrasonic inspection of vertical surface-breaking cracks in SS plates.
Selection of a numerical unsaturated flow code for tilted capillary barrier performance evaluation
Webb, S.W. [Sandia National Labs., Albuquerque, NM (United States). Geohydrology Dept.
Capillary barriers consisting of tilted fine-over-coarse layers have been suggested as landfill covers as a means to divert water infiltration away from sensitive underground regions under unsaturated flow conditions, especially for arid and semi-arid regions. Typically, the HELP code is used to evaluate landfill cover performance and design. Unfortunately, due to its simplified treatment of unsaturated flow and its essentially one-dimensional nature, HELP is not adequate to treat the complex multidimensional unsaturated flow processes occurring in a tilted capillary barrier. In order to develop the necessary mechanistic code for the performance evaluation of tilted capillary barriers, an efficient and comprehensive unsaturated flow code needs to be selected for further use and modification. The present study evaluates a number of candidate mechanistic unsaturated flow codes for application to tilted capillary barriers. Factors considered included unsaturated flow modeling, inclusion of evapotranspiration, nodalization flexibility, ease of modification, and numerical efficiency. A number of unsaturated flow codes are available for use with different features and assumptions. The codes chosen for this evaluation are TOUGH2, FEHM, and SWMS{_}2D. All three codes chosen for this evaluation successfully simulated the capillary barrier problem chosen for the code comparison, although FEHM used a reduced grid. The numerical results are a strong function of the numerical weighting scheme. For the same weighting scheme, similar results were obtained from the various codes. Based on the CPU time of the various codes and the code capabilities, the TOUGH2 code has been selected as the appropriate code for tilted capillary barrier performance evaluation, possibly in conjunction with the infiltration, runoff, and evapotranspiration models of HELP. 44 refs.
Experimental and Numerical Examination of the Thermal Transmittance of High Performance Window Frames
Gustavsen Ph.D., Arild; Goudey, Howdy; Kohler, Christian; Arasteh P.E., Dariush; Uvslokk, Sivert; Talev, Goce; Petter Jelle Ph.D., Bjorn
While window frames typically represent 20-30percent of the overall window area, their impact on the total window heat transfer rates may be much larger. This effect is even greater in low-conductance (highly insulating) windows which incorporate very low conductance glazings. Developing low-conductance window frames requires accurate simulation tools for product research and development. The Passivhaus Institute in Germany states that windows (glazing and frames, combined) should have U-values not exceeding 0.80 W/(m??K). This has created a niche market for highly insulating frames, with frame U-values typically around 0.7-1.0 W/(m2 cdot K). The U-values reported are often based on numerical simulations according to international simulation standards. It is prudent to check the accuracy of these calculation standards, especially for high performance products before more manufacturers begin to use them to improve other product offerings. In this paper the thermal transmittance of five highly insulating window frames (three wooden frames, one aluminum frame and one PVC frame), found from numerical simulations and experiments, are compared. Hot box calorimeter results are compared with numerical simulations according to ISO 10077-2 and ISO 15099. In addition CFD simulations have been carried out, in order to use the most accurate tool available to investigate the convection and radiation effects inside the frame cavities. Our results show that available tools commonly used to evaluate window performance, based on ISO standards, give good overall agreement, but specific areas need improvement.
Wada, Koji; Tanaka, Hidekazu; Yamamoto, Tetsuo; Suyama, Toru; Kimura, Hiroshi
Collisional growth of dust aggregates is a plausible root of planetesimals forming in protoplanetary disks. However, a rebound of colliding dust aggregates prevents dust from growing into planetesimals. In fact, rebounding aggregates are observed in laboratory experiments but not in previous numerical simulations. Therefore, the condition of rebound between dust aggregates should be clarified to better understand the processes of dust growth and planetesimal formation. We have carried out numerical simulations of aggregate collisions for various types of aggregates and succeeded in reproducing a rebound of colliding aggregates under specific conditions. Our finding is that in the rebound process, the key factor of the aggregate structure is the coordination number, namely, the number of particles in contact with a particle. A rebound is governed by the energy dissipation along with restructuring of the aggregates and a large coordination number inhibits the restructuring at collisions. Results of our numerical simulation for various aggregates indicate that they stick to each other when the mean coordination number is less than 6, regardless of their materials and structures, as long as their collision velocity is less than the critical velocity for fragmentation. This criterion of the coordination number would correspond to a filling factor of {approx}0.3, which is somewhat larger than that reported in laboratory experiments. In protoplanetary disks, dust aggregates are expected to have low bulk densities (<0.1 g cm{sup -3}) during their growth, which would prevent dust aggregates from rebounding. This result supports the formation of planetesimals with direct dust growth in protoplanetary disks.
Yang, Liping; He, Jiansen; Tu, Chuanyi; Zhang, Lei; Peter, Hardi; Feng, Xueshang; Zhang, Shaohua
Observations with the space-based solar observatory Hinode show that small-scale magnetic structures in the photosphere are found to be associated with a particular class of jets of plasma in the chromosphere called anemone jets. The goal of our study is to conduct a numerical experiment of such chromospheric anemone jets related to the moving magnetic features (MMFs). We construct a 2.5 dimensional numerical MHD model to describe the process of magnetic reconnection between the MMFs and the pre-existing ambient magnetic field, which is driven by the horizontal motion of the magnetic structure in the photosphere. We include thermal conduction parallel to the magnetic field and optically thin radiative losses in the corona to account for a self-consistent description of the evaporation process during the heating of the plasma due to the reconnection process. The motion of the MMFs leads to the expected jet and our numerical results can reproduce many observed characteristics of chromospheric anemone jets, topologically and quantitatively. As a result of the tearing instability, plasmoids are generated in the reconnection process that are consistent with the observed bright moving blobs in the anemone jets. An increase in the thermal pressure at the base of the jet is also driven by the reconnection, which induces a train of slow-mode shocks propagating upward. These shocks are a secondary effect, and only modulate the outflow of the anemone jet. The jet itself is driven by the energy input due to the reconnection of the MMFs and the ambient magnetic field.
Precarious Rock Methodology for Seismic Hazard: Physical Testing, Numerical Modeling and Coherence Studies
Anooshehpoor, Rasool; Purvance, Matthew D.; Brune, James N.; Preston, Leiph A.; Anderson, John G.; Smith, Kenneth D.
This report covers the following projects: Shake table tests of precarious rock methodology, field tests of precarious rocks at Yucca Mountain and comparison of the results with PSHA predictions, study of the coherence of the wave field in the ESF, and a limited survey of precarious rocks south of the proposed repository footprint. A series of shake table experiments have been carried out at the University of Nevada, Reno Large Scale Structures Laboratory. The bulk of the experiments involved scaling acceleration time histories (uniaxial forcing) from 0.1g to the point where the objects on the shake table overturned a specified number of times. The results of these experiments have been compared with numerical overturning predictions. Numerical predictions for toppling of large objects with simple contact conditions (e.g., I-beams with sharp basal edges) agree well with shake-table results. The numerical model slightly underpredicts the overturning of small rectangular blocks. It overpredicts the overturning PGA for asymmetric granite boulders with complex basal contact conditions. In general the results confirm the approximate predictions of previous studies. Field testing of several rocks at Yucca Mountain has approximately confirmed the preliminary results from previous studies, suggesting that he PSHA predictions are too high, possibly because the uncertainty in the mean of the attenuation relations. Study of the coherence of wavefields in the ESF has provided results which will be very important in design of the canisters distribution, in particular a preliminary estimate of the wavelengths at which the wavefields become incoherent. No evidence was found for extreme focusing by lens-like inhomogeneities. A limited survey for precarious rocks confirmed that they extend south of the repository, and one of these has been field tested.
Contribution to the numerical study of turbulence in high intensity discharge lamps
Kaziz, S.; Ben Ahmed, R.; Helali, H.; Gazzah, H.; Charrada, K. [Unite d'Etude des Milieux Ionises et Reactifs, IPEIM, 5019 route de Kairouan Monastir (Tunisia)
We present in this paper a comparison between results obtained with a laminar and turbulent models for high-pressure mercury arc. The two models are based on the resolution of bidimensional time-dependent equations by a semi-implicit finite-element code. The numerical computation of turbulent model is solved with large eddy simulation model; this approach takes into account the various scales of turbulence by a filtering method on each scale. The results show the quantitative influence of turbulence on the flow fields and also the difference between laminar and turbulent effects on the dynamic thermal behaviour and on the characteristics of the discharge.
Numerical analysis of thermally assisted spin-transfer torque magnetization reversal in synthetic ferrimagnetic free layers
Shen, J.; Shi, M.; Tanaka, T. Matsuyama, K.
The spin transfer torque magnetization reversal of synthetic ferrimagnetic free layers under pulsed temperature rise was numerically studied by solving the Landau�Lifshitz�Gilbert equation, taking into account the stochastic random fields, the temperature dependence of magnetic parameters, and the spin torque terms. The anti-parallel magnetization configuration was retained at the elevated temperature, due to interlayer dipole coupling. A significant thermal assistance effect, resulting in a 40% reduction in the switching current, was demonstrated during a nanosecond pulsed temperature rise up to 77% of the Curie temperature.
Numerical simulation of alumina spraying in argon-helium plasma jet
Chang, C.H.
A new numerical model is described for simulating thermal plasmas containing entrained particles, with emphasis on plasma spraying applications. The plasma is represented as a continuum multicomponent chemically reacting ideal gas, while the particles are tracked as discrete Lagrangian entities coupled to the plasma. Computational results are presented from a transient simulation of alumina spraying in a turbulent argon-helium plasma jet in air environment, including torch geometry, substrate, and multiple species with chemical reactions. Particle-plasma interactions including turbulent dispersion have been modeled in a fully self-consistent manner. Interactions between the plasma and the torch and substrate walls are modeled using wall functions. (15 refs.)
Numerical simulation of alumina spraying in argon-helium plasma jet
Chang, C.H.
A new numerical model is described for simulating thermal plasmas containing entrained particles, with emphasis on plasma spraying applications. The plasma is represented as a continuum multicomponent chemically reacting ideal gas, while the particles are tracked as discrete Lagrangian entities coupled to the plasma. Computational results are presented from a transient simulation of alumina spraying in a turbulent argon-helium plasma jet in air environment, including torch geometry, substrate, and multiple species with chemical reactions. Particle-plasma interactions including turbulent dispersion have been modeled in a fully self-consistent manner. Interactions between the plasma and the torch and substrate walls are modeled using wall functions. (15 refs.)
Direct numerical simulations of fluid flow, heat transfer and phase changes
Juric, D.; Tryggvason, G.; Han, J.
Direct numerical simulations of fluid flow, heat transfer, and phase changes are presented. The simulations are made possible by a recently developed finite difference/front tracking method based on the one-field formulation of the governing equations where a single set of conservation equations is written for all the phases involved. The conservation equations are solved on a fixed rectangular grid, but the phase boundaries are kept sharp by tracking them explicitly by a moving grid of lower dimension. The method is discussed and applications to boiling heat transfer and the solidification of drops colliding with a wall are shown.
Experimental Observations and Numerical Prediction of Induction Heating in a Graphite Test Article
Jankowski, Todd A [Los Alamos National Laboratory; Johnson, Debra P [Los Alamos National Laboratory; Jurney, James D [Los Alamos National Laboratory; Freer, Jerry E [Los Alamos National Laboratory; Dougherty, Lisa M [Los Alamos National Laboratory; Stout, Stephen A [Los Alamos National Laboratory
The induction heating coils used in the plutonium casting furnaces at the Los Alamos National Laboratory are studied here. A cylindrical graphite test article has been built, instrumented with thermocouples, and heated in the induction coil that is normally used to preheat the molds during casting operations. Preliminary results of experiments aimed at understanding the induction heating process in the mold portion of the furnaces are reported. The experiments have been modeled in COMSOL Multiphysics and the numerical and experimental results are compared to one another. These comparisons provide insight into the heating process and provide a benchmark for COMSOL calculations of induction heating in the mold portion of the plutonium casting furnaces.
2D numerical simulation of the MEP energy-transport model with a finite difference scheme
Romano, V. . E-mail: email@example.com
A finite difference scheme of Scharfetter-Gummel type is used to simulate a consistent energy-transport model for electron transport in semiconductors devices, free of any fitting parameters, formulated on the basis of the maximum entropy principle. Simulations of silicon n{sup +}-n-n{sup +} diodes, 2D-MESFET and 2D-MOSFET and comparisons with the results obtained by a direct simulation of the Boltzmann transport equation and with other energy-transport models, known in the literature, show the validity of the model and the robustness of the numerical scheme.
Numerical prediction of energy consumption in buildings with controlled interior temperature
Jarošová, P.; Št'astník, S.
New European directives bring strong requirement to the energy consumption of building objects, supporting the renewable energy sources. Whereas in the case of family and similar houses this can lead up to absurd consequences, for building objects with controlled interior temperature the optimization of energy demand is really needed. The paper demonstrates the system approach to the modelling of thermal insulation and accumulation abilities of such objetcs, incorporating the significant influence of additional physical processes, as surface heat radiation and moisture-driven deterioration of insulation layers. An illustrative example shows the numerical prediction of energy consumption of a freezing plant in one Central European climatic year.
Numerical studies of third-harmonic generation in laser filament in air perturbed by plasma spot
Feng Liubin; Lu Xin; Liu Xiaolong; Li Yutong; Chen Liming; Ma Jinglong; Dong Quanli; Wang Weimin; Xi Tingting; Sheng Zhengming; Zhang Jie; He Duanwei
Third-harmonic emission from laser filament intercepted by plasma spot is studied by numerical simulations. Significant enhancement of the third-harmonic generation is obtained due to the disturbance of the additional plasma. The contribution of the pure plasma effect and the possible plasma-enhanced third-order susceptibility on the third-harmonic generation enhancement are compared. It is shown that the plasma induced cancellation of destructive interference [Y. Liu et al., Opt. Commun. 284, 4706 (2011)] of two-colored filament is the dominant mechanism of the enhancement of third-harmonic generation.
Effective-one-body waveforms calibrated to numerical relativity simulations: Coalescence of nonprecessing, spinning, equal-mass black holes
Pan Yi; Buonanno, Alessandra; Buchman, Luisa T.; Chu, Tony; Scheel, Mark A.; Kidder, Lawrence E.; Pfeiffer, Harald P.
We present the first attempt at calibrating the effective-one-body (EOB) model to accurate numerical relativity simulations of spinning, nonprecessing black-hole binaries. Aligning the EOB and numerical waveforms at low frequency over a time interval of 1000M, we first estimate the phase and amplitude errors in the numerical waveforms and then minimize the difference between numerical and EOB waveforms by calibrating a handful of EOB-adjustable parameters. In the equal-mass, spin aligned case, we find that phase and fractional amplitude differences between the numerical and EOB (2,2) mode can be reduced to 0.01 radian and 1%, respectively, over the entire inspiral waveforms. In the equal-mass, spin antialigned case, these differences can be reduced to 0.13 radian and 1% during inspiral and plunge, and to 0.4 radian and 10% during merger and ringdown. The waveform agreement is within numerical errors in the spin aligned case while slightly over numerical errors in the spin antialigned case. Using Enhanced LIGO and Advanced LIGO noise curves, we find that the overlap between the EOB and the numerical (2,2) mode, maximized over the initial phase and time of arrival, is larger than 0.999 for binaries with total mass 30M{sub {center_dot}-}200M{sub {center_dot}}. In addition to the leading (2,2) mode, we compare four subleading modes. We find good amplitude and frequency agreements between the EOB and numerical modes for both spin configurations considered, except for the (3,2) mode in the spin antialigned case. We believe that the larger difference in the (3,2) mode is due to the lack of knowledge of post-Newtonian spin effects in the higher modes.
Benchmark of numerical tools simulating beam propagation and secondary particles in ITER NBI
Sartori, E. Veltri, P.; Serianni, G.; Dlougach, E.; Hemsworth, R.; Singh, M.
Injection of high energy beams of neutral particles is a method for plasma heating in fusion devices. The ITER injector, and its prototype MITICA (Megavolt ITER Injector and Concept Advancement), are large extrapolations from existing devices: therefore numerical modeling is needed to set thermo-mechanical requirements for all beam-facing components. As the power and charge deposition originates from several sources (primary beam, co-accelerated electrons, and secondary production by beam-gas, beam-surface, and electron-surface interaction), the beam propagation along the beam line is simulated by comprehensive 3D models. This paper presents a comparative study between two codes: BTR has been used for several years in the design of the ITER HNB/DNB components; SAMANTHA code was independently developed and includes additional phenomena, such as secondary particles generated by collision of beam particles with the background gas. The code comparison is valuable in the perspective of the upcoming experimental operations, in order to prepare a reliable numerical support to the interpretation of experimental measurements in the beam test facilities. The power density map calculated on the Electrostatic Residual Ion Dump (ERID) is the chosen benchmark, as it depends on the electric and magnetic fields as well as on the evolution of the beam species via interaction with the gas. Finally the paper shows additional results provided by SAMANTHA, like the secondary electrons produced by volume processes accelerated by the ERID fringe-field towards the Cryopumps.
Improving the quality of numerical software through user-centered design
Pancake, C. M., Oregon State University
The software interface - whether graphical, command-oriented, menu-driven, or in the form of subroutine calls - shapes the user`s perception of what software can do. It also establishes upper bounds on software usability. Numerical software interfaces typically are based on the designer`s understanding of how the software should be used. That is a poor foundation for usability, since the features that are ``instinctively right`` from the developer`s perspective are often the very ones that technical programmers find most objectionable or most difficult to learn. This paper discusses how numerical software interfaces can be improved by involving users more actively in design, a process known as user-centered design (UCD). While UCD requires extra organization and effort, it results in much higher levels of usability and can actually reduce software costs. This is true not just for graphical user interfaces, but for all software interfaces. Examples show how UCD improved the usability of a subroutine library, a command language, and an invocation interface.
A Numerical Model of the Temperature Field of the Cast and Solidified Ceramic Material
Kavicka, Frantisek; Sekanina, Bohumil; Stransky, Karel; Stetina, Josef [Brno University of Technology, Brno, Technicka 2 (Czech Republic); Dobrovska, Jana [Technical University of Ostrava, Ostrava, Tr. 17.listopadu 17 (Czech Republic)
Corundo-baddeleyit material (CBM)--EUCOR--is a heat- and wear-resistant material even at extreme temperatures. This article introduces a numerical model of solidification and cooling of this material in a non-metallic mould. The model is capable of determining the total solidification time of the casting and also the place of the casting which solidifies last. Furthermore, it is possible to calculate the temperature gradient in any point and time, and also determine the local solidification time and the solidification interval of any point. The local solidification time is one of the input parameters for the cooperating model of chemical heterogeneity. This second model and its application on samples of EUCOR prove that the applied method of measurement of chemical heterogeneity provides detailed quantitative information on the material structure and makes it possible to analyse the solidification process. The analysis of this process entails statistical processing of the results of the measurements of the heterogeneity of the components of EUCOR and performs correlation of individual components during solidification. The crystallisation process seems to be very complicated, where the macro- and microscopic segregations differ significantly. The verification of both numerical models was conducted on a real cast 350x200x400 mm block.
Dixon, K.; Knox, A.
Active capping involves the use of capping materials that react with sediment contaminants to reduce their toxicity or bioavailability. Although several amendments have been proposed for use in active capping systems, little is known about their long-term ability to sequester metals. Recent research has shown that the active amendment apatite has potential application for metals contaminated sediments. The focus of this study was to evaluate the effectiveness of apatite in the sequestration of metal contaminants through the use of short-term laboratory column studies in conjunction with predictive, numerical modeling. A breakthrough column study was conducted using North Carolina apatite as the active amendment. Under saturated conditions, a spike solution containing elemental As, Cd, Co, Se, Pb, Zn, and a non-reactive tracer was injected into the column. A sand column was tested under similar conditions as a control. Effluent water samples were periodically collected from each column for chemical analysis. Relative to the non-reactive tracer, the breakthrough of each metal was substantially delayed by the apatite. Furthermore, breakthrough of each metal was substantially delayed by the apatite compared to the sand column. Finally, a simple 1-D, numerical model was created to qualitatively predict the long-term performance of apatite based on the findings from the column study. The results of the modeling showed that apatite could delay the breakthrough of some metals for hundreds of years under typical groundwater flow velocities.
Direct numerical simulation of shear localization and decomposition reactions in shock-loaded HMX crystal
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Austin, Ryan A.; Barton, Nathan R.; Reaugh, John E.; Fried, Laurence E.
A numerical model is developed to study the shock wave ignition of HMX crystal. The model accounts for the coupling between crystal thermal/mechanical responses and chemical reactions that are driven by the temperature field. This allows for the direct numerical simulation of decomposition reactions in the hot spots formed by shock/impact loading. The model is used to simulate intragranular pore collapse under shock wave loading. In a reference case: (i) shear-enabled micro-jetting is responsible for a modest extent of reaction in the pore collapse region, and (ii) shear banding is found to be an important mode of localization. The shearmore » bands, which are filled with molten HMX, grow out of the pore collapse region and serve as potential ignition sites. The model predictions of shear banding and reactivity are found to be quite sensitive to the respective flow strengths of the solid and liquid phases. In this regard, it is shown that reasonable assumptions of liquid-HMX viscosity can lead to chemical reactions within the shear bands on a nanosecond time scale.« less
Direct Numerical Simulations of Autoignition in Stratified Dimethyl-ether (DME)/Air Turbulent Mixtures
Bansal, Gaurav; Mascarenhas, Ajith; Chen, Jacqueline H.
In our paper, two- and three-dimensional direct numerical simulations (DNS) of autoignition phenomena in stratified dimethyl-ether (DME)/air turbulent mixtures are performed. A reduced DME oxidation mechanism, which was obtained using rigorous mathematical reduction and stiffness removal procedure from a detailed DME mechanism with 55 species, is used in the present DNS. The reduced DME mechanism consists of 30 chemical species. This study investigates the fundamental aspects of turbulence-mixing-autoignition interaction occurring in homogeneous charge compression ignition (HCCI) engine environments. A homogeneous isotropic turbulence spectrum is used to initialize the velocity field in the domain. Moreover, the computational configuration corresponds to a constant volume combustion vessel with inert mass source terms added to the governing equations to mimic the pressure rise due to piston motion, as present in practical engines. DME autoignition is found to be a complex three-staged process; each stage corresponds to a distinct chemical kinetic pathway. The distinct role of turbulence and reaction in generating scalar gradients and hence promoting molecular transport processes are investigated. Then, by applying numerical diagnostic techniques, the different heat release modes present in the igniting mixture are identified. In particular, the contribution of homogeneous autoignition, spontaneous ignition front propagation, and premixed deflagration towards the total heat release are quantified.
Numerical investigation of the double-arcing phenomenon in a cutting arc torch
Mancinelli, B. R.; Minotti, F. O.; Kelly, H.; Prevosto, L.
A numerical investigation of the double-arcing phenomenon in a cutting arc torch is reported. The dynamics of the double-arcing were simulated by using a two-dimensional model of the gas breakdown development in the space-charge layer contiguous to the nozzle of a cutting arc torch operated with oxygen. The kinetic scheme includes ionization of heavy particles by electron impact, electron attachment, electron detachment, electron�ion recombination, and ion�ion recombination. Complementary measurements during double-arcing phenomena were also conducted. A marked rise of the nozzle voltage was found. The numerical results showed that the dynamics of a cathode spot at the exit of the nozzle inner surface play a key role in the raising of the nozzle voltage, which in turn allows more electrons to return to the wall at the nozzle inlet. The return flow of electrons thus closes the current loop of the double-arcing. The increase in the (floating) nozzle voltage is due to the fact that the increased electron emission at the spot is mainly compensated by the displacement current (the ions do not play a relevant role due to its low-mobility) until that the stationary state is achieved and the electron return flow fully-compensates the electron emission at the spot. A fairly good agreement was found between the model and the experiment for a spot emission current growth rate of the order of 7?�?10{sup 4}?A/s.
Sensitivity of injection costs to input petrophysical parameters in numerical geologic carbon sequestration models
Cheng, C. L.; Gragg, M. J.; Perfect, E.; White, Mark D.; Lemiszki, P. J.; McKay, L. D.
Numerical simulations are widely used in feasibility studies for geologic carbon sequestration. Accurate estimates of petrophysical parameters are needed as inputs for these simulations. However, relatively few experimental values are available for CO2-brine systems. Hence, a sensitivity analysis was performed using the STOMP numerical code for supercritical CO2 injected into a model confined deep saline aquifer. The intrinsic permeability, porosity, pore compressibility, and capillary pressure-saturation/relative permeability parameters (residual liquid saturation, residual gas saturation, and van Genuchten alpha and m values) were varied independently. Their influence on CO2 injection rates and costs were determined and the parameters were ranked based on normalized coefficients of variation. The simulations resulted in differences of up to tens of millions of dollars over the life of the project (i.e., the time taken to inject 10.8 million metric tons of CO2). The two most influential parameters were the intrinsic permeability and the van Genuchten m value. Two other parameters, the residual gas saturation and the residual liquid saturation, ranked above the porosity. These results highlight the need for accurate estimates of capillary pressure-saturation/relative permeability parameters for geologic carbon sequestration simulations in addition to measurements of porosity and intrinsic permeability.
An Implicit Algorithm for the Numerical Simulation of Shape-Memory Alloys
Becker, R; Stolken, J; Jannetti, C; Bassani, J
Shape-memory alloys (SMA) have the potential to be used in a variety of interesting applications due to their unique properties of pseudoelasticity and the shape-memory effect. However, in order to design SMA devices efficiently, a physics-based constitutive model is required to accurately simulate the behavior of shape-memory alloys. The scope of this work is to extend the numerical capabilities of the SMA constitutive model developed by Jannetti et. al. (2003), to handle large-scale polycrystalline simulations. The constitutive model is implemented within the finite-element software ABAQUS/Standard using a user defined material subroutine, or UMAT. To improve the efficiency of the numerical simulations, so that polycrystalline specimens of shape-memory alloys can be modeled, a fully implicit algorithm has been implemented to integrate the constitutive equations. Using an implicit integration scheme increases the efficiency of the UMAT over the previously implemented explicit integration method by a factor of more than 100 for single crystal simulations.
Numerical study on microwave-sustained argon discharge under atmospheric pressure
Yang, Y.; Hua, W. Guo, S. Y.
A numerical study on microwave sustained argon discharge under atmospheric pressure is reported in this paper. The purpose of this study is to investigate both the process and effects of the conditions of microwave-excited gas discharge under atmospheric pressure, thereby aiding improvements in the design of the discharge system, setting the appropriate working time, and controlling the operating conditions. A 3D model is presented, which includes the physical processes of electromagnetic wave propagation, electron transport, heavy species transport, gas flow, and heat transfer. The results can be obtained by means of the fluid approximation. The maxima of the electron density and gas temperature are 4.96 × 10{sup 18} m{sup −3} and 2514.8 K, respectively, and the gas pressure remains almost unchanged for typical operating conditions with a gas flow rate of 20 l/min, microwave power of 1000 W, and initial temperature of 473 K. In addition, the conditions (microwave power, gas flow rate, and initial temperature) of discharge are varied to obtain deeper information about the electron density and gas temperature. The results of our numerical study are valid and clearly describe both the physical process and effects of the conditions of microwave-excited argon discharge.
A Numerical Investigation into the Anomalous Slight NOx Increase when Burning Biodiesel: A New (Old) Theory
Ban-Weiss, G A; Chen, J Y; Buchholz, B A; Dibble, R W
Biodiesel is a notable alternative to petroleum derived diesel fuel because it comes from natural domestic sources and thus reduces dependence on diminishing petroleum fuel from foreign sources, it likely lowers lifecycle greenhouse gas emissions, and it lowers an engine's emission of most pollutants as compared to petroleum derived diesel. However, the use of biodiesel often slightly increases a diesel engine's emission of smog forming nitrogen oxides (NO{sub x}) relative to petroleum diesel. In this paper, previously proposed theories for this slight NOx increase are reviewed, including theories based on biodiesel's cetane number, which leads to differing amounts of charge preheating, and theories based on the fuel's bulk modulus, which affects injection timing. This paper proposes an additional theory for the slight NO{sub x} increase of biodiesel. Biodiesel typically contains more double bonded molecules than petroleum derived diesel. These double bonded molecules have a slightly higher adiabatic flame temperature, which leads to the increase in NOx production for biodiesel. Our theory was verified using numerical simulations to show a NOx increase, due to the double bonded molecules, that is consistent with observation. Further, the details of these numerical simulations show that NOx is predominantly due to the Zeldovich mechanism.
Dynamic Response of a Pulse-Heated, Thick-Walled, Hollow Sphere: Validation of Code Numerics
Canaan, R.E.
Volumetric pulse heating of a thick-walled hollow sphere is numerically investigated. The primary objective is to validate a variety of LLNL 30 hydrocodes for modeling the dynamic behavior of fissile/fissionable metals subject to rapid ''fission-heating'' transients. The 30 codes tested include both DYNA3D and NIKE3D, as well as the ''ASCI'' code, ALE3D. The codes are compared ''head-to-head'' and are benchmarked against a 1D finite difference solution to the problem that is derived from basic principles. Three pulse-heating transients are examined with full-width-half-maximum pulse durations of 41{micro}s, 85{micro}s, and 140{micro}s, respectively. These three transients produce a significant range of dynamic responses in the thermo-elastic regime. We present results for dynamic radial displacements and stresses for each pulse, and also discuss which code features/options worked best for these types of calculations. In general, the code results are in excellent agreement for the simple system considered. Validation of code numerics in simple systems is a key first step toward future application of the codes in more complicated geometries (U).
Numerical integration of structural elements in NIKE3D and DYNA3D
Maker, B.N.; Whirley, R.G.; Engelmann, B.E.
The beam and shell elements found in many linear elastic finite element codes accept integrated cross sectional properties as input, and produce solutions using classical beam and shell theory. These theories are built upon the equation of resultant forces and moments with integrals of assumed stress distributions over the cross section. In contrast, the structural elements in NIKE3D and DYNA3D are formulated to represent nonlinear geometric and material behavior. Thus stress distributions may not necessarily be representable by simple functions of cross section variables. In NIKE3D and DYNA3D, the Hughes-Liu beam element and all shell elements accommodate these more general stress distributions by computing stresses at various points in the cross section. The integration of stresses within each element is then performed numerically, using a variety of methods. This report describes these numerical integration procedures in detail, and highlights their application to engineering problems. Several other features of the structural elements are also described, including force and moment resultants, user-defined reference surfaces, and user-defined integration rules. Finally, the shear correction factor is described in a section which relates results from NIKE3D and DYNA3D to those obtained from classical beam theory.
Direct Numerical Simulations of Autoignition in Stratified Dimethyl-ether (DME)/Air Turbulent Mixtures
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Bansal, Gaurav; Mascarenhas, Ajith; Chen, Jacqueline H.
In our paper, two- and three-dimensional direct numerical simulations (DNS) of autoignition phenomena in stratified dimethyl-ether (DME)/air turbulent mixtures are performed. A reduced DME oxidation mechanism, which was obtained using rigorous mathematical reduction and stiffness removal procedure from a detailed DME mechanism with 55 species, is used in the present DNS. The reduced DME mechanism consists of 30 chemical species. This study investigates the fundamental aspects of turbulence-mixing-autoignition interaction occurring in homogeneous charge compression ignition (HCCI) engine environments. A homogeneous isotropic turbulence spectrum is used to initialize the velocity field in the domain. Moreover, the computational configuration corresponds to amore » constant volume combustion vessel with inert mass source terms added to the governing equations to mimic the pressure rise due to piston motion, as present in practical engines. DME autoignition is found to be a complex three-staged process; each stage corresponds to a distinct chemical kinetic pathway. The distinct role of turbulence and reaction in generating scalar gradients and hence promoting molecular transport processes are investigated. Then, by applying numerical diagnostic techniques, the different heat release modes present in the igniting mixture are identified. In particular, the contribution of homogeneous autoignition, spontaneous ignition front propagation, and premixed deflagration towards the total heat release are quantified.« less
Development of a Numerical Simulator for Analyzing the Geomechanical Performance of Hydrate-Bearing Sediments
Rutqvist, Jonny; Rutqvist, J.; Moridis, G.J.
In this paper, we describe the development and application of a numerical simulator that analyzes the geomechanical performance of hydrate-bearing sediments, which may become an important future energy supply. The simulator is developed by coupling a robust numerical simulator of coupled fluid flow, hydrate thermodynamics, and phase behavior in geologic media (TOUGH+HYDRATE) with an established geomechanical code (FLAC3D). We demonstrate the current simulator capabilities and applicability for two examples of geomechanical responses of hydrate bearing sediments during production-induced hydrate dissociation. In these applications, the coupled geomechanical behavior within hydrate-bearing seducements are considered through a Mohr-Coulomb constitutive model, corrected for changes in pore-filling hydrate and ice content, based on laboratory data. The results demonstrate how depressurization-based gas production from oceanic hydrate deposits may lead to severe geomechanical problems unless care is taken in designing the production scheme. We conclude that the coupled simulator can be used to design production strategies for optimizing production, while avoiding damaging geomechanical problems.
Numerical study on coupled fluid flow and heat transfer process in parabolic trough solar collector tube
Tao, Y.B.; He, Y.L.
A unified two-dimensional numerical model was developed for the coupled heat transfer process in parabolic solar collector tube, which includes nature convection, forced convection, heat conduction and fluid-solid conjugate problem. The effects of Rayleigh number (Ra), tube diameter ratio and thermal conductivity of the tube wall on the heat transfer and fluid flow performance were numerically analyzed. The distributions of flow field, temperature field, local Nu and local temperature gradient were examined. The results show that when Ra is larger than 10{sup 5}, the effects of nature convection must be taken into account. With the increase of tube diameter ratio, the Nusselt number in inner tube (Nu{sub 1}) increases and the Nusselt number in annuli space (Nu{sub 2}) decreases. With the increase of tube wall thermal conductivity, Nu{sub 1} decreases and Nu{sub 2} increases. When thermal conductivity is larger than 200 W/(m K), it would have little effects on Nu and average temperatures. Due to the effect of the nature convection, along the circumferential direction (from top to down), the temperature in the cross-section decreases and the temperature gradient on inner tube surface increases at first. Then, the temperature and temperature gradients would present a converse variation at {theta} near {pi}. The local Nu on inner tube outer surface increases along circumferential direction until it reaches a maximum value then it decreases again. (author)
Van Eerten, Hendrik J.; MacFadyen, Andrew I.
We discuss jet dynamics for narrow and wide gamma-ray burst (GRB) afterglow jets and the observational implications of numerical simulations of relativistic jets in two dimensions. We confirm earlier numerical results that sideways expansion of relativistic jets during the bulk of the afterglow emission phase is logarithmic in time and find that this also applies to narrow jets with half opening angle of 0.05 rad. As a result, afterglow jets remain highly nonspherical until after they have become nonrelativistic. Although sideways expansion steepens the afterglow light curve after the jet break, the jet edges becoming visible dominates the jet break, which means that the jet break is sensitive to the observer angle even for narrow jets. Failure to take the observer angle into account can lead to an overestimation of the jet energy by up to a factor of four. This weakens the challenge posed to the magneter energy limit by extreme events such as GRB090926A. Late-time radio calorimetry based on a spherical nonrelativistic outflow model remains relevant when the observer is approximately on-axis and where differences of a few in flux level between the model and the simulation are acceptable. However, this does not imply sphericity of the outflow and therefore does not translate to high observer angles relevant to orphan afterglows. For more accurate calorimetry and in order to model significant late-time features such as the rise of the counterjet, detailed jet simulations remain indispensable.
Monitoring and Numerical Modeling of Shallow CO{sub 2} Injection, Greene County, Missouri
Rovey, Charles; Gouzie, Douglas; Biagioni, Richard
The project titled Monitoring and Numerical Modeling of Shallow CO{sub 2} Injection, Greene County, Missouri provided training for three graduate students in areas related to carbon capture and storage. Numerical modeling of CO{sub 2} injection into the St. Francois aquifer at the Southwest Power Plant Site in Greene County, Missouri indicates that up to 4.1 x 10{sup 5} metric tons of CO{sub 2} per year could be injected for 30 years without exceeding a 3 MPa differential injection pressure. The injected CO{sub 2} would remain sequestered below the top of the overlying caprock (St. Francois confining unit) for more than 1000 years. Geochemical modeling indicates that portions of the injected CO{sub 2} will react rapidly with trace minerals in the aquifer to form various solid carbonate mineral phases. These minerals would store significant portions of injected CO{sub 2} over geologic time scales. Finally, a GIS data base on the pore-fluid chemistry of the overlying aquifer system in Missouri, the Ozark aquifer, was compiled from many sources. This data base could become useful in monitoring for leakage from future CO{sub 2} sequestration sites.
Terascale direct numerical simulations of turbulent combustion using S3D
Chen, Jackie; Klasky, Scott A; Hawkes, Evatt R; Sankaran, Ramanan; Choudhary, Alok; Yoo, Chun S; Liao, Wei-keng; Podhorszki, Norbert
Computational science is paramount to the understanding of underlying processes in internal combustion engines of the future that will utilize non-petroleum-based alternative fuels, including carbon-neutral biofuels, and burn in new combustion regimes that will attain high efficiency while minimizing emissions of particulates and nitrogen oxides. Next-generation engines will likely operate at higher pressures, with greater amounts of dilution and utilize alternative fuels that exhibit a wide range of chemical and physical properties. Therefore, there is a significant role for high-fidelity simulations, direct numerical simulations (DNS), specifically designed to capture key turbulence-chemistry interactions in these relatively uncharted combustion regimes, and in particular, that can discriminate the effects of differences in fuel properties. In DNS, all of the relevant turbulence and flame scales are resolved numerically using high-order accurate numerical algorithms. As a consequence terascale DNS are computationally intensive, require massive amounts of computing power and generate tens of terabytes of data. Recent results from terascale DNS of turbulent flames are presented here, illustrating its role in elucidating flame stabilization mechanisms in a lifted turbulent hydrogen/air jet flame in a hot air coflow, and the flame structure of a fuel-lean turbulent premixed jet flame. Computing at this scale requires close collaborations between computer and combustion scientists to provide optimized scaleable algorithms and software for terascale simulations, efficient collective parallel I/O, tools for volume visualization of multiscale, multivariate data and automating the combustion workflow. The enabling computer science, applied to combustion science, is also required in many other terascale physics and engineering simulations. In particular, performance monitoring is used to identify the performance of key kernels in the DNS code, S3D and especially memory intensive loops in the code. Through the careful application of loop transformations, data reuse in cache is exploited thereby reducing memory bandwidth needs, and hence, improving S3D's nodal performance. To enhance collective parallel I/O in S3D, an MPI-I/O caching design is used to construct a two-stage write-behind method for improving the performance of write-only operations. The simulations generate tens of terabytes of data requiring analysis. Interactive exploration of the simulation data is enabled by multivariate time-varying volume visualization. The visualization highlights spatial and temporal correlations between multiple reactive scalar fields using an intuitive user interface based on parallel coordinates and time histogram. Finally, an automated combustion workflow is designed using Kepler to manage large-scale data movement, data morphing, and archival and to provide a graphical display of run-time diagnostics.
On the physical and chemical details of alumina atomic layer deposition: A combined experimental and numerical approach
Pan, Dongqing; Ma, Lulu; Xie, Yuanyuan; Yuan, Chris; Jen, Tien Chien
Alumina thin film is typically studied as a model atomic layer deposition (ALD) process due to its high dielectric constant, high thermal stability, and good adhesion on various wafer surfaces. Despite extensive applications of alumina ALD in microelectronics industries, details on the physical and chemical processes are not yet well understood. ALD experiments are not able to shed adequate light on the detailed information regarding the transient ALD process. Most of current numerical approaches lack detailed surface reaction mechanisms, and their results are not well correlated with experimental observations. In this paper, the authors present a combined experimental and numerical study on the details of flow and surface reactions in alumina ALD using trimethylaluminum and water as precursors. Results obtained from experiments and simulations are compared and correlated. By experiments, growth rate on five samples under different deposition conditions is characterized. The deposition rate from numerical simulation agrees well with the experimental results. Details of precursor distributions in a full cycle of ALD are studied numerically to bridge between experimental observations and simulations. The 3D transient numerical model adopts surface reaction kinetics and mechanisms based on atomic-level studies to investigate the surface deposition process. Surface deposition is shown as a strictly self-limited process in our numerical studies. ALD is a complex strong-coupled fluid, thermal and chemical process, which is not only heavily dependent on the chemical kinetics and surface conditions but also on the flow and material distributions.
The shallow water equations as a hybrid flow model for the numerical and experimental analysis of hydro power stations
Ostermann, Lars; Seidel, Christian
The numerical analysis of hydro power stations is an important method of the hydraulic design and is used for the development and optimisation of hydro power stations in addition to the experiments with the physical submodel of a full model in the hydraulic laboratory. For the numerical analysis, 2D and 3D models are appropriate and commonly used.The 2D models refer mainly to the shallow water equations (SWE), since for this flow model a large experience on a wide field of applications for the flow analysis of numerous problems in hydraulic engineering already exists. Often, the flow model is verified by in situ measurements. In order to consider 3D flow phenomena close to singularities like weirs, hydro power stations etc. the development of a hybrid fluid model is advantageous to improve the quality and significance of the global model. Here, an extended hybrid flow model based on the principle of the SWE is presented. The hybrid flow model directly links the numerical model with the experimental data, which may originate from physical full models, physical submodels and in-situ measurements. Hence a wide field of application of the hybrid model emerges including the improvement of numerical models and the strong coupling of numerical and experimental analysis.
Experimental and Numerical Investigations of Soil Desiccation for Vadose Zone Remediation: Report for Fiscal Year 2007
Ward, Andy L.; Oostrom, Mart; Bacon, Diana H.
Apart from source excavation, the options available for the remediation of vadose zone metal and radionuclide contaminants beyond the practical excavation depth (0 to 15 m) are quite limited. Of the available technologies, very few are applicable to the deep vadose zone with the top-ranked candidate being soil desiccation. An expert panel review of the work on infiltration control and supplemental technologies identified a number of knowledge gaps that would need to be overcome before soil desiccation could be deployed. The report documents some of the research conducted in the last year to fill these knowledge gaps. This work included 1) performing intermediate-scale laboratory flow cell experiments to demonstrate the desiccation process, 2) implementing a scalable version of Subsurface Transport Over Multiple Phases�Water-Air-Energy (STOMP-WAE), and 3) performing numerical experiments to identify the factors controlling the performance of a desiccation system.
Analytical and numerical solution of one- and two-dimensional steady heat transfer in a coldplate
Jones, G.F.; Bennett, G.A.; Bultman, D.H.
We develop analytical models for steady-state, one- and two-dimensional heat transfer in a single-material, flat-plate coldplate. Discrete heat sources are mounted on one side of the plate and heat transfer to a flowing fluid occurs on the other. The models are validated numerically using finite differences. We propose a simple procedure for estimating maximum coldplate temperature at the location of each heat source which includes thermal interaction among the sources. Results from one model are compared with data obtained for a composite coldplate operated in the laboratory. We demonstrate the utility of the models as diagnostic tools to be used for predicting the existence and extent of void volumes and delaminations in the composite material that can occur with coldplates of this type. Based on our findings, recommendations for effective coldplate design are given.
Defect reaction network in Si-doped InP : numerical predictions.
Schultz, Peter Andrew
This Report characterizes the defects in the defect reaction network in silicon-doped, n-type InP deduced from first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in Si-doped InP until culminating in immobile reaction products. The defect reactions and reaction energies are tabulated, along with the properties of all the silicon-related defects in the reaction network. This Report serves to extend the results for intrinsic defects in SAND 2012-3313: %E2%80%9CSimple intrinsic defects in InP: Numerical predictions%E2%80%9D to include Si-containing simple defects likely to be present in a radiation-induced defect reaction sequence.
Numerical prediction of the thermodynamic properties of ternary Al-Ni-Hf alloys
Romanowska, Jolanta; Kotowski, S?awomir; Zagula-Yavorska, Maryana
Thermodynamic properties of ternary Al-Hf-Ni system, such as {sup ex}G, ?{sub Al}, ?{sub Ni} and ?{sub Zr} at 1373K were predicted on the basis of thermodynamic properties of binary systems included in the investigated ternary system. The idea of predicting {sup ex}G values was regarded as the calculation of excess Gibbs energy values inside a certain area (a Gibbs triangle) unless all boundary conditions, that is values of {sup ex}G on all legs of the triangle are known. {sup ex}G and L{sub ijk} ternary interaction parameters in the Muggianu extension of the Redlich-Kister formalism are calculated numerically using Wolfram Mathematica 9 software.
Numerical simulation to study the transient self focusing of laser beam in plasma
Sharma, R. P.; Hussain, Saba Gaur, Nidhi
In this paper, we present the numerical simulation for the coupled system of equations governing the dynamics of laser and Ion Acoustic Wave (IAW) in a collisionless plasma, when the coupling between the waves is through ponderomotive non-linearity. The nonlinear evolution of the laser beam is studied when the pump laser is perturbed by a periodic perturbation. By changing the perturbation wave number, we have studied its effect on the nonlinear evolution pattern of laser beam. In order to have a physical insight into the nonlinear dynamics of laser beam evolution in time and space, we have studied the laser and IAW spectra containing spatial harmonics. The magnitude of these harmonics changes with time and leads to time dependent localization of laser beam in spatial domain. The nonlinear dynamics of this localization is investigated in detail by using simulation and a semi-analytical model.
A Numerical Algorithm for the Solution of a Phase-Field Model of Polycrystalline Materials
Dorr, M R; Fattebert, J; Wickett, M E; Belak, J F; Turchi, P A
We describe an algorithm for the numerical solution of a phase-field model (PFM) of microstructure evolution in polycrystalline materials. The PFM system of equations includes a local order parameter, a quaternion representation of local orientation and a species composition parameter. The algorithm is based on the implicit integration of a semidiscretization of the PFM system using a backward difference formula (BDF) temporal discretization combined with a Newton-Krylov algorithm to solve the nonlinear system at each time step. The BDF algorithm is combined with a coordinate projection method to maintain quaternion unit length, which is related to an important solution invariant. A key element of the Newton-Krylov algorithm is the selection of a preconditioner to accelerate the convergence of the Generalized Minimum Residual algorithm used to solve the Jacobian linear system in each Newton step. Results are presented for the application of the algorithm to 2D and 3D examples.
Numerical study on the influence of electron cyclotron current drive on tearing mode
Chen, Long; Liu, Jinyuan; Mao, Aohua; Sun, Jizhong, E-mail: email@example.com [School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China); Duan, Ping [Department of Physics, Dalian Maritime University, Dalian 116026 (China)
Controlling tearing modes by localized current drive is explored by using numerical simulation with a set of compressible magnetohydrodynamics equations. By examining the effects of different characteristics of driven current, such as density distribution, duration time, and deposition location, it is found that a driven current with larger magnitude and more focused deposition region shows a better suppression effect on the tearing modes. Meanwhile destabilizing effects are also observed when a driven current over a certain magnitude is applied continuously. In comparison with those on the X-point of the magnetic island, the results are better when the current deposition is targeted on the O-point. In addition, the timing control of the current deposition will be also addressed.
Numerical Analysis for Controlling the Eigenmode Formation of Alfven Waves in the GAMMA 10 Tandem Mirror
Yamaguchi, Y. [Plasma Research Center, University of Tsukuba (Japan); Ichimura, M. [Plasma Research Center, University of Tsukuba (Japan); Higaki, H. [Plasma Research Center, University of Tsukuba (Japan); Kakimoto, S. [Plasma Research Center, University of Tsukuba (Japan); Ide, K. [Plasma Research Center, University of Tsukuba (Japan); Inoue, D. [Plasma Research Center, University of Tsukuba (Japan); Nagai, H. [Plasma Research Center, University of Tsukuba (Japan); Nakagome, K. [Plasma Research Center, University of Tsukuba (Japan); Fukuyama, A. [Kyoto University (Japan); Cho, T. [Plasma Research Center, University of Tsukuba (Japan)
The numerical analysis is performed with two dimensional wave code for controlling the eigenmode formation of fast Alfven waves in the GAMMA 10 central cell. The plasma production by fast waves depends on the wave excitation in the plasma. Eigenmodes are strongly formed when the boundary conditions in the axial and radial directions are satisfied. As the optimum density for the formation of eigenmode exists discretely, the density is clamped at the value where the eigenmode is strongly formed. For the higher density plasma production, the eigenmodes must be continuously excited as the density increases. It is found that the almost continuous excitation of eigenmodes can be realized by using two waves with different frequencies at the same time.
Numerical approach for the voloxidation process of an advanced spent fuel conditioning process (ACP)
Park, Byung Heung; Jeong, Sang Mun; Seo, Chung-Seok
A voloxidation process is adopted as the first step of an advanced spent fuel conditioning process in order to prepare the SF oxide to be reduced in the following electrolytic reduction process. A semi-batch type voloxidizer was devised to transform a SF pellet into powder. In this work, a simple reactor model was developed for the purpose of correlating a gas phase flow rate with an operation time as a numerical approach. With an assumption that a solid phase and a gas phase are homogeneous in a reactor, a reaction rate for an oxidation was introduced into a mass balance equation. The developed equation can describe a change of an outlet's oxygen concentration including such a case that a gas flow is not sufficient enough to continue a reaction at its maximum reaction rate. (authors)
Numerical modeling of pulsed laser-material interaction and of laser plume dynamics
Zhao, Qiang; Shi, Yina
We have developed two-dimensional Arbitrary Lagrangian Eulerian (ALE) code which is used to study the physical processes, the plasma absorption, the crater profile, and the temperature distribution on metallic target and below the surface. The ALE method overcomes problems with Lagrangian moving mesh distortion by mesh smoothing and conservative quantities remapping from Lagrangian mesh to smoothed one. A new second order accurate diffusion solver has been implemented for the thermal conduction and radiation transport on distorted mesh. The results of numerical simulation of pulsed laser ablation are presented. The influences of different processes, such as time evolution of the surface temperature, interspecies interactions (elastic collisions, recombination-dissociation reaction), interaction with an ambient gas are examined. The study presents particular interest for the analysis of experimental results obtained during pulsed laser ablation.
The Effect of Element Formulation on the Prediction of Boost Effects in Numerical Tube Bending
Bardelcik, A.; Worswick, M.J.
This paper presents advanced FE models of the pre-bending process to investigate the effect of element formulation on the prediction of boost effects in tube bending. Tube bending experiments are conducted with 3'' (OD) IF (Interstitial-Free) steel tube on a fully instrumented Eagle EPT-75 servo-hydraulic mandrel-rotary draw tube bender. Experiments were performed in which the bending boost was varied at three levels and resulted in consistent trends in the strain and thickness distribution within the pre-bent tubes. A numerical model of the rotary draw tube bender was used to simulate pre-bending of the IF tube with the three levels of boost from the experiments. To examine the effect of element formulation on the prediction of boost, the tube was modeled with shell and solid elements. Both models predicted the overall strain and thickness results well, but showed different trends in each of the models.
Numerical studies of the imaging properties of doubly focussing crystals and their application to ITER
Bitter, M.; Fraenkel, B.; Hill, K.W.; Hsuan, H.; von Goeler, S. )
Line brightness calculations for the parameters at the International Thermonuclear Experimental Reactor (ITER) and results from recent experiments on the Tokamak Fusion Test Reactor (TFTR) indicate that time-resolved measurements of the central ion temperature and other central plasma parameters should be feasible on ITER with nonperturbing amounts of krypton. Since the measurements will have to be performed in the presence of high fluxes of 14-MeV neutrons from DT-fusion reactions, the size of windows, apertures and x-ray detectors must be as small as possible. Under these conditions, the use of doubly focussing crystals can significantly enhance the signal-to-noise ratio. This paper describes numerical studies of the focussing properties of spherically bent crystals and their application to ITER.
Numerical study of the Columbia high-beta device: Torus-II
Izzo, R.
The ionization, heating and subsequent long-time-scale behavior of the helium plasma in the Columbia fusion device, Torus-II, is studied. The purpose of this work is to perform numerical simulations while maintaining a high level of interaction with experimentalists. The device is operated as a toroidal z-pinch to prepare the gas for heating. This ionization of helium is studied using a zero-dimensional, two-fluid code. It is essentially an energy balance calculation that follows the development of the various charge states of the helium and any impurities (primarily silicon and oxygen) that are present. The code is an atomic physics model of Torus-II. In addition to ionization, we include three-body and radiative recombination processes.
Numerical renormalization-group study of a Kondo hole in a one-dimensional Kondo insulator
Yu, C.C.
We have studied a Kondo hole in a one-dimensional Kondo insulator at half-filling using a density matrix formulation of the numerical renormalization group. The Kondo hole introduces midgap states. The spin density introduced by the hole is localized in the vicinity of the hole. It resides primarily in the {ital f} spins for small exchange coupling {ital J} and in the conduction spins for large {ital J}. We present results on the spin gap, charge gap, and neutral gap. The presence of the Kondo hole reduces the charge gap but not the spin gap relative to a Kondo insulator without defects. For small {ital J}, the spin gap is smaller than the charge gap, while for large {ital J}, the spin gap is larger than the charge gap. RKKY interactions are reduced by the Kondo hole as can be seen in the staggered susceptibility. {copyright} {ital 1996 The American Physical Society.}
Real time control and numerical simulation of pipeline subjected to landslide
Cuscuna, S.; Giusti, G.; Gramola, C.
This paper describes SNAM research activity in the study of behaviour and real-time control of pipelines in landslide areas. The subject can be delt considering three different aspects: 1. Geotechnical characterization of unstable soils. The mechanical parameters of soil and the landslide types are defined; 2. Structural analysis of pipe-soil system. By means of a finite element program it's possible to study the pipe-soil interaction; in this numerical code the soil parameters attend by the non-linear elastic behaviour of pipe restraints. The results of this analysis are the location of the expected most stressed sections of pipe and the global behaviour of pipe inside the soil. 3. Instrumental control. The adoption of a suitable appliance of vibrating wire strain gauges allows the strain control of pipe in time. The aim is to make possible timely interventions in order to guarantee the installation safety.
Direct numerical simulation of turbulent flow in a rotating square duct
Dai, Yi-Jun; Huang, Wei-Xi Xu, Chun-Xiao; Cui, Gui-Xiang
A fully developed turbulent flow in a rotating straight square duct is simulated by direct numerical simulations at Re{sub ?} = 300 and 0 ? Ro{sub ?} ? 40. The rotating axis is parallel to two opposite walls of the duct and normal to the main flow. Variations of the turbulence statistics with the rotation rate are presented, and a comparison with the rotating turbulent channel flow is discussed. Rich secondary flow patterns in the cross section are observed by varying the rotation rate. The appearance of a pair of additional vortices above the pressure wall is carefully examined, and the underlying mechanism is explained according to the budget analysis of the mean momentum equations.
Numerical simulation of a thermoacoustic refrigerator. 2: Stratified flow around the stack
Worlikar, A.S.; Knio, O.M.; Klein, R.
The unsteady, two-dimensional, thermally stratified flow in the neighborhood of an idealized thermoacoustic stack is analyzed using a low-Mach-number model that extends the adiabatic flow scheme developed in part 1 (Journal of Computational Physics 127, 424 (1996)). The extension consists of incorporation of numerical solvers for the energy equations in the fluid and the stack plates, and construction and implementation of fast Poisson solver for the velocity potential based on a domain decomposition/boundary Green`s function technique. The unsteady computations are used to predict the steady-state, acoustically generated temperature gradient across a two-dimensional couple and to analyze its dependence on the amplitude of the prevailing resonant wave. Computed results are compared to theoretical predictions and experimental data.
Spherically symmetric cosmological spacetimes with dust and radiation — numerical implementation
Lim, Woei Chet; Regis, Marco; Clarkson, Chris E-mail: firstname.lastname@example.com
We present new numerical cosmological solutions of the Einstein Field Equations. The spacetime is spherically symmetric with a source of dust and radiation approximated as a perfect fluid. The dust and radiation are necessarily non-comoving due to the inhomogeneity of the spacetime. Such a model can be used to investigate non-linear general relativistic effects present during decoupling or big-bang nucleosynthesis, as well as for investigating void models of dark energy with isocurvature degrees of freedom. We describe the full evolution of the spacetime as well as the redshift and luminosity distance for a central observer. After demonstrating accuracy of the code, we consider a few example models, and demonstrate the sensitivity of the late time model to the degree of inhomogeneity of the initial radiation contrast.
Numerical simulation study on fluid dynamics of plasma window using argon
Huang, S.; Zhu, K.; Shi, B. L.; Lu, Y. R.; Hershcovitch, A.; Yang, L.; Zhang, X. Y.; Wei, G. D.
In this paper, a numerical 2D FLUENT-based magneto-hydrodynamic model has been developed to investigate the arc and flow field of plasma window, which is used as a windowless vacuum sealing device. The gas inlet, arc creation-developing and plasma expansion segments are all incorporated together in the integral model. An axis-symmetry cathode structure (hollow cathode) is used in the model. Current distribution of the arc is presented and discussed. The temperature, velocity, and pressure field are presented to show the physical mechanisms for the high pressure gap within the plasma window. Flow acceleration and viscosity effect are concluded as the main reasons for the pressure drop. The result for the pressure distribution in the cylindrical tube section has a good agreement with the analytical model. The validation for the sealing ability of plasma window is verified.
Experimental and numerical correlation of a scaled containment vessel subjected to an internal blast load
Romero, C.; Benner, J.C.; Berkbigler, L.W.
Los Alamos National Laboratory is currently in the design phase of a large Containment System that will be used to contain hydrodynamic experiments. The system in question is being designed to elastically withstand a 50 kg internal high explosive (PBX-9501) detonation. A one-tenth scaled model of the containment system was fabricated and used to obtain experimental results of both pressure loading and strain response. The experimental data are compared with numerical predictions of pressure loading and strain response obtained from an Eulerian hydrodynamic code (MESA-2D) and an explicit, non-linear finite element code (LLNL DYNA3D). The two-dimensional pressure predictions from multiple hydrodynamic simulations are used as loading in the structural simulation. The predicted pressure histories and strain response compare well with experimental results at several locations.
Numerical simulation of fracture rocks and wave propagation by means of fractal theory
Valle G., R. del
A numerical approach was developed for the dynamic simulation of fracture rocks and wave propagation. Based on some ideas of percolation theory and fractal growth, a network of particles and strings represent the rock model. To simulate an inhomogeneous medium, the particles and springs have random distributed elastic parameters and are implemented in the dynamic Navier equation. Some of the springs snap with criteria based on the confined stress applied, therefore creating a fractured rock consistent with the physical environment. The basic purpose of this research was to provide a method to construct a fractured rock with confined stress conditions as well as the wave propagation imposed in the model. Such models provide a better understanding of the behavior of wave propagation in fractured media. The synthetic seismic data obtained henceforth, can be used as a tool to develop methods for characterizing fractured rocks by means of geophysical inference.
Numerical analysis for finite-range multitype stochastic contact financial market dynamic systems
Yang, Ge; Wang, Jun; Fang, Wen
In an attempt to reproduce and study the dynamics of financial markets, a random agent-based financial price model is developed and investigated by the finite-range multitype contact dynamic system, in which the interaction and dispersal of different types of investment attitudes in a stock market are imitated by viruses spreading. With different parameters of birth rates and finite-range, the normalized return series are simulated by Monte Carlo simulation method and numerical studied by power-law distribution analysis and autocorrelation analysis. To better understand the nonlinear dynamics of the return series, a q-order autocorrelation function and a multi-autocorrelation function are also defined in this work. The comparisons of statistical behaviors of return series from the agent-based model and the daily historical market returns of Shanghai Composite Index and Shenzhen Component Index indicate that the proposed model is a reasonable qualitative explanation for the price formation process of stock market systems.
Three dimensional numerical simulations of the UPS-292 stratified charge engine
O'Rourke, P.J.; Amsden, A.A.
The authors present and analyze three-dimensional calculations of the spray, mixing and combustion in the UPS-292 stratified charge engine for three different operating conditions, corresponding to overall air-fuel ratios between 22.4 and 61.0. The numerical calculations are performed with KIVA, a multidimensional arbitrary-mesh, finite-difference hydrodynamics program for internal combustion engine applications. The calculations use a mesh of 10,000 computational cells. Each operating condition is calculated from intake valve closure at 118/sup 0/ BTDC to 90/sup 0/ ATDC and requires approximately three hours of CRAY-XMP computer time. Combustion occurs primarily in the wake of the spark plug, and to include the effects of the spark plug on the flow field, we use a novel internal obstacle treatment. The methodology, in which internal obstacles are represented by computational particles, promises to be applicable to the calculation of the flows around intake and exhaust valves.
Numerical studies of the flux-to-current ratio method in the KIPT neutron source facility
Cao, Y.; Gohar, Y.; Zhong, Z.
The reactivity of a subcritical assembly has to be monitored continuously in order to assure its safe operation. In this paper, the flux-to-current ratio method has been studied as an approach to provide the on-line reactivity measurement of the subcritical system. Monte Carlo numerical simulations have been performed using the KIPT neutron source facility model. It is found that the reactivity obtained from the flux-to-current ratio method is sensitive to the detector position in the subcritical assembly. However, if multiple detectors are located about 12 cm above the graphite reflector and 54 cm radially, the technique is shown to be very accurate in determining the k{sub eff} this facility in the range of 0.75 to 0.975. (authors)
Numerical study on the stabilization of neoclassical tearing modes by electron cyclotron current drive
Wang, Xiaoguang; Zhang, Xiaodong; Wu, Bin; Zhu, Sizheng; Hu, Yemin
It is well known that electron cyclotron current drive (ECCD) around the o-point of magnetic island along the plasma current direction can stabilize neoclassical tearing modes (NTMs) in tokamak devices. The effects of the radial misalignment between the island and the driven current, the phase misalignment, and the on-duty ratio for modulated current drive on NTM stabilization are studied numerically in this paper. A small radial misalignment is found to significantly decrease the stabilizing effect. When a sufficiently large phase misalignment occurs for the modulated ECCD, the stabilization effect is also reduced a lot. The optimal on-duty ratio of modulated ECCD to stabilize NTMs is found to be in the range of 60%–70%. A larger on-duty ratio than 50% could also mitigate the effect of phase misalignment if it is not too large. There is no benefit from modulation if the phase misalignment is larger than a threshold.
Defect reaction network in Si-doped InAs. Numerical predictions.
Schultz, Peter A.
This Report characterizes the defects in the def ect reaction network in silicon - doped, n - type InAs predicted with first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in Si - doped InAs , until culminating in immobile reaction p roducts. The defect reactions and reaction energies are tabulated, along with the properties of all the silicon - related defects in the reaction network. This Report serves to extend the results for the properties of intrinsic defects in bulk InAs as colla ted in SAND 2013 - 2477 : Simple intrinsic defects in InAs : Numerical predictions to include Si - containing simple defects likely to be present in a radiation - induced defect reaction sequence . This page intentionally left blank
Comprehensive Mechanisms for Combustion Chemistry: An Experimental and Numerical Study with Emphasis on Applied Sensitivity Analysis
Dryer, Frederick L.
This project was an integrated experimental/numerical effort to study pyrolysis and oxidation reactions and mechanisms for small-molecule hydrocarbon structures under conditions representative of combustion environments. The experimental aspects of the work were conducted in large-diameter flow reactors, at 0.3 to 18 atm pressure, 500 to 1100 K temperature, and 10-2 to 2 seconds reaction time. Experiments were also conducted to determine reference laminar flame speeds using a premixed laminar stagnation flame experiment and particle image velocimetry, as well as pressurized bomb experiments. Flow reactor data for oxidation experiments include: (1)adiabatic/isothermal species time-histories of a reaction under fixed initial pressure, temperature, and composition; to determine the species present after a fixed reaction time, initial pressure; (2)species distributions with varying initial reaction temperature; (3)perturbations of a well-defined reaction systems (e.g. CO/H2/O2 or H2/O2)by the addition of small amounts of an additive species. Radical scavenging techniques are applied to determine unimolecular decomposition rates from pyrolysis experiments. Laminar flame speed measurements are determined as a function of equivalence ratio, dilution, and unburned gas temperature at 1 atm pressure. Hierarchical, comprehensive mechanistic construction methods were applied to develop detailed kinetic mechanisms which describe the measurements and literature kinetic data. Modeling using well-defined and validated mechanisms for the CO/H2/Oxidant systems and perturbations of oxidation experiments by small amounts of additives were also used to derive absolute reaction rates and to investigate the compatibility of published elementary kinetic and thermochemical information. Numerical tools were developed and applied to assess the importance of individual elementary reactions to the predictive performance of the developed mechanisms and to assess the uncertainties in elementary rate constant evaluations.
Experimental and numerical investigation of hydrogen combustion in a supersonic flow
Segal, C.
Supersonic combustion ramjet, or SCRAMJET, engines are currently being evaluated for the propulsion of hypersonic vehicles. A unique supersonic wind tunnel facility has been built at the Aerospace Research Laboratory to simulate the operation of a SCRAMJET over a range of Mach numbers of 5 to 6.5 and altitudes of 40,000 to 150,000 ft. The tunnel provides high stagnation temperature, clean air in a continuous Mach 2 flow to the combustor where hydrogen is injected and burned. One of the major parameters in the design of the engine is the combustion efficiency, a quantity which is extremely difficult to evaluate directly. Wall pressure and temperature measurements were made on a model combustor in the ARL facility and a one-dimensional, chemical equilibrium, finite difference model was used to infer combustion efficiency. The initial stagnation temperature was maintained around or below 850 K and an inlet static pressure of 1/2 atm, or less. At these relative low temperatures, thermal choking occurred for relatively low equivalence ratios, limiting this parameter to a maximum of 0.1, depending on the injection configuration. A detailed validation of the analytical model requires extensive knowledge of the physical properties of the flowfield. Since reliable, non-intrusive measurements methods are still under development, the results of the combustion efficiency evaluation were compared with a detailed numerical simulation of the flowfield of interest. The numerical simulation used a 3-D full Navier-Stokes program, which includes a finite rate chemistry model to duplicate one of the experimental cases. The calculations were performed on a CRAY - 2S supercomputer at the National Supercomputer Applications Center at NASA Langley. The solution required 35 CPU hours.
Sabau, Adrian S; Wright, Ian G
Gas turbines in integrated gasification combined cycle (IGCC) power plants burn a fuel gas (syngas) in which the proportions of hydrocarbons, H2, CO, water vapor, and minor impurity levels may vary significantly from those in natural gas, depending on the input feed to the gasifier and the gasification process. A data structure and computational methodology is presented for the numerical simulation of a turbine thermodynamic cycle for various fuel types, air/fuel ratios, and coolant flow rates. The approach used allowed efficient handling of turbine components and different variable constraints due to fuel changes. Examples are presented for a turbine with four stages and cooled blades. The blades were considered to be cooled in an open circuit, with air provided from appropriate compressor stages. Results are presented for the temperatures of the hot gas, alloy surface (coating-superalloy interface), and coolant, as well as for cooling flow rates. Based on the results of the numerical simulations, values were calculated for the fuel flow rates, airflow ratios, and coolant flow rates required to maintain the superalloy in the first stage blade at the desired temperature when the fuel was changed from natural gas (NG) to syngas (SG). One NG case was conducted to assess the effect of coolant pressure matching between the compressor extraction points and corresponding turbine injection points. It was found that pressure matching is a feature that must be considered for high combustion temperatures. The first series of SG simulations was conducted using the same inlet mass flow and pressure ratios as those for the NG case. The results showed that higher coolant flow rates and a larger number of cooled turbine rows were needed for the SG case. Thus, for this first case, the turbine size would be different for SG than for NG. In order to maintain the original turbine configuration (i.e., geometry, diameters, blade heights, angles, and cooling circuit characteristics) for the SG simulations, a second series of simulations was carried out by varying the inlet mass flow while keeping constant the pressure ratios and the amount of hot gas passing the first vane of the turbine. The effect of turbine matching between the NG and SG cases was approximately 10 C, and 8 to 14% for rotor inlet temperature and total cooling flows, respectively. These results indicate that turbine-compressor matching, before and after fuel change, must be included in turbine models. The last stage of the turbine, for the SG case, experienced higher inner wall temperatures than the corresponding case for NG, with the temperature of the vane approaching the maximum allowable limit. This paper was published by ASME as paper no. GT2007-27530.
Recent advances in theoretical and numerical studies of wire array Z-pinch in the IAPCM
Ding, Ning Zhang, Yang Xiao, Delong Wu, Jiming Huang, Jun Yin, Li Sun, Shunkai Xue, Chuang Dai, Zihuan Ning, Cheng Shu, Xiaojian Wang, Jianguo Li, Hua
Fast Z-pinch has produced the most powerful X-ray radiation source in laboratory and also shows the possibility to drive inertial confinement fusion (ICF). Recent advances in wire-array Z-pinch researches at the Institute of Applied Physics and Computational Mathematics are presented in this paper. A typical wire array Z-pinch process has three phases: wire plasma formation and ablation, implosion and the MRT instability development, stagnation and radiation. A mass injection model with azimuthal modulation coefficient is used to describe the wire initiation, and the dynamics of ablated plasmas of wire-array Z-pinches in (r, θ) geometry is numerically studied. In the implosion phase, a two-dimensional(r, z) three temperature radiation MHD code MARED has been developed to investigate the development of the Magneto-Rayleigh-Taylor(MRT) instability. We also analyze the implosion modes of nested wire-array and find that the inner wire-array is hardly affected before the impaction of the outer wire-array. While the plasma accelerated to high speed in the implosion stage stagnates on the axis, abundant x-ray radiation is produced. The energy spectrum of the radiation and the production mechanism are investigated. The computational x-ray pulse shows a reasonable agreement with the experimental result. We also suggest that using alloyed wire-arrays can increase multi-keV K-shell yield by decreasing the opacity of K-shell lines. In addition, we use a detailed circuit model to study the energy coupling between the generator and the Z-pinch implosion. Recently, we are concentrating on the problems of Z-pinch driven ICF, such as dynamic hohlraum and capsule implosions. Our numerical investigations on the interaction of wire-array Z-pinches on foam convertors show qualitative agreements with experimental results on the "Qiangguang I" facility. An integrated two-dimensional simulation of dynamic hohlraum driven capsule implosion provides us the physical insights of wire-array plasma acceleration, shock generation and production, hohlraum formation, radiation ablation and fuel compression.
Numerical study of the stress state of a deformation twin in magnesium
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Arul Kumar, M.; Kanjarla, A. K.; Niezgoda, S. R.; Lebensohn, R. A.; Tomé, C. N.
Here, we present a numerical study of the distribution of the local stress state associated with deformation twinning in Mg, both inside the twinned domain and in its immediate neighborhood, due to the accommodation of the twinning transformation shear. A full-field elastoviscoplastic formulation based on fast Fourier transformation is modified to include the shear transformation strain associated with deformation twinning. We performed two types of twinning transformation simulations with: (i) the twin completely embedded inside a single crystal and (ii) the twin front terminating at a grain boundary. We show that: (a) the resulting stress distribution is more strongly determinedmore » by the shear transformation than by the intragranular character of the twin or the orientation of the neighboring grain; (b) the resolved shear stress on the twin plane along the twin direction is inhomogeneous along the twin–parent interface; and (c) there are substantial differences in the average values of the shear stress in the twin and in the parent grain that contains the twin. We discuss the effect of these local stresses on twin propagation and growth, and the implications of our findings for the modeling of deformation twinning.« less
Numerical study of the stress state of a deformation twin in magnesium
Arul Kumar, M.; Kanjarla, A. K.; Niezgoda, S. R.; Lebensohn, R. A.; Tomé, C. N.
Here, we present a numerical study of the distribution of the local stress state associated with deformation twinning in Mg, both inside the twinned domain and in its immediate neighborhood, due to the accommodation of the twinning transformation shear. A full-field elastoviscoplastic formulation based on fast Fourier transformation is modified to include the shear transformation strain associated with deformation twinning. We performed two types of twinning transformation simulations with: (i) the twin completely embedded inside a single crystal and (ii) the twin front terminating at a grain boundary. We show that: (a) the resulting stress distribution is more strongly determined by the shear transformation than by the intragranular character of the twin or the orientation of the neighboring grain; (b) the resolved shear stress on the twin plane along the twin direction is inhomogeneous along the twin–parent interface; and (c) there are substantial differences in the average values of the shear stress in the twin and in the parent grain that contains the twin. We discuss the effect of these local stresses on twin propagation and growth, and the implications of our findings for the modeling of deformation twinning.
Numerical simulation of the compressor coil of the plasma dynamic accelerator
Thomas, P.
The plasma dynamic accelerator accelerates a plasma to very high velocities in a coaxial accelerator and then compresses it in a compressor coil, achieving high densities. The axial component of the current distribution, extending from the tip of the coaxial accelerator`s center electrode to the coil turns, causes compressing forces, the radial component yields accelerating forces. The rapid change of the coil current induces azimuthal eddy currents in the plasma that interact with the coil`s magnetic field, again yielding Lorentz forces. Aerodynamic compression may also be an important effect. A new two-dimensional magnetohydrodynamics code is used to investigate which of these effects are really important for the compression. The code allows one to simulate all effects mentioned separately and in combination. In a first step only aerodynamic compression is considered. Then each electromagnetic effect is imposed on the system. Finally, a complete simulation of the compressor coil is performed. The analysis of the results provides new insights in the way the coil operates. This paper presents important aspects of the mathematical model and of the numerical implementation and reports results.
Numerical Modeling of Geomechanical Processes Related to CO{sub 2} Injection within Generic Reservoirs
Eckert, Andreas
In this project generic anticline structures have been used for numerical modeling analyses to study the influence of geometrical parameters, fluid flow boundary conditions, in situ stress regime and inter-bedding friction coefficient on geomechanical risks such as fracture reactivation and fracture generation. The resulting stress states for these structures are also used to determine safe drilling directions and a methodology for wellbore trajection optimization is developed that is applicable for non-Andersonian stress states. The results of the fluid flow simulation show that the type of fluid flow boundary condition is of utmost importance and has significant impact on all injection related parameters. It is recommended that further research is conducted to establish a method to quantify the fluid flow boundary conditions for injection applications. The results of the geomechanical simulation show that in situ stress regime is a crucial, if not the most important, factor determining geomechanical risks. For extension and strike slip stress regimes anticline structures should be favored over horizontally layered basin as they feature higher ΔP{sub c} magnitudes. If sedimentary basins are tectonically relaxed and their state of stress is characterized by the uni-axial strain model the basin is in exact frictional equilibrium and fluids should not be injected. The results also show that low inter bedding friction coefficients effectively decouple layers resulting in lower ΔP{sub c} magnitudes, especially for the compressional stress regime.
Comparisons Between Experimental Measurments and Numerical Simulations of Spheromak Formation in SSPX
Romero-Talam?s, C A; Hooper, E B; Hill, D N; Cohen, B I; McLean, H S; Wood, R D; Moller, J M
Data from a recently installed insertable magnetic probe array in the Sustained Spheromak Physics Experiment (SSPX) [E. B. Hooper et al., Nucl. Fusion 39, 863 (1999)] is compared against NIMROD [C. R. Sovinec et al., J. Comp. Phys. 195, 355 (2004)], a full 3D resistive magnetohydrodynamic code that is used to simulate SSPX plasmas. The experiment probe consists of a linear array of chip inductors arranged in clusters that are spaced every 2 cm, and spans the entire machine radius at the flux conserver midplane. Both the experiment and the numerical simulations show the appearance, shortly after breakdown, of a column with a hollow current profile that precedes magnetic reconnection, a process essential to the formation of closed magnetic flux surfaces. However, there are differences between the experiment and the simulation in how the column evolves after it is formed. These differences are studied to help identify the mechanisms that eventually lead to closed-flux surfaces (azimuthally averaged) and flux amplification, which occur in both the experiment and the simulation.
Numerical simulation of laminar plasma dynamos in a cylindrical von Karman flow
Khalzov, I. V.; Brown, B. P.; Schnack, D. D.; Forest, C. B. [University of Wisconsin, 1150 University Avenue, Madison, Wisconsin 53706 (United States); Ebrahimi, F. [University of New Hampshire, 8 College Road, Durham, New Hampshire 03824 (United States)
The results of a numerical study of the magnetic dynamo effect in cylindrical von Karman plasma flow are presented with parameters relevant to the Madison Plasma Couette Experiment. This experiment is designed to investigate a broad class of phenomena in flowing plasmas. In a plasma, the magnetic Prandtl number Pm can be of order unity (i.e., the fluid Reynolds number Re is comparable to the magnetic Reynolds number Rm). This is in contrast to liquid metal experiments, where Pm is small (so, Re>>Rm) and the flows are always turbulent. We explore dynamo action through simulations using the extended magnetohydrodynamic NIMROD code for an isothermal and compressible plasma model. We also study two-fluid effects in simulations by including the Hall term in Ohm's law. We find that the counter-rotating von Karman flow results in sustained dynamo action and the self-generation of magnetic field when the magnetic Reynolds number exceeds a critical value. For the plasma parameters of the experiment, this field saturates at an amplitude corresponding to a new stable equilibrium (a laminar dynamo). We show that compressibility in the plasma results in an increase of the critical magnetic Reynolds number, while inclusion of the Hall term in Ohm's law changes the amplitude of the saturated dynamo field but not the critical value for the onset of dynamo action.
A numerical study of soot aggregate formation in a laminar coflow diffusion flame
Zhang, Q.; Thomson, M.J. [Department of Mechanical and Industrial Engineering, University of Toronto, 5 King's College Road, Toronto, Ontario, M5S 3G8 (Canada); Guo, H.; Liu, F.; Smallwood, G.J. [Institute for Chemical Process and Environmental Technology, National Research Council of Canada, Building M-9, 1200 Montreal Road, Ottawa, Ontario, K1A 0R6 (Canada)
Soot aggregate formation in a two-dimensional laminar coflow ethylene/air diffusion flame is studied with a pyrene-based soot model, a detailed sectional aerosol dynamics model, and a detailed radiation model. The chemical kinetic mechanism describes polycyclic aromatic hydrocarbon formation up to pyrene, the dimerization of which is assumed to lead to soot nucleation. The growth and oxidation of soot particles are characterized by the HACA surface mechanism and pyrene-soot surface condensation. The mass range of the solid soot phase is divided into thirty-five discrete sections and two equations are solved in each section to model the formation of the fractal-like soot aggregates. The coagulation model is improved by implementing the aggregate coagulation efficiency. Several physical processes that may cause sub-unitary aggregate coagulation efficiency are discussed. Their effects on aggregate structure are numerically investigated. The average number of primary soot particles per soot aggregate n{sub p} is found to be a strong function of the aggregate coagulation efficiency. Compared to the available experimental data, n{sub p} is well reproduced with a constant 20% aggregate coagulation efficiency. The predicted axial velocity, OH mole fraction, and C{sub 2}H{sub 2} mole fraction are validated against experimental data in the literature. Reasonable agreements are obtained. Finally, a sensitivity study of the effects of particle coalescence on soot volume fraction and soot aggregate nanostructure is conducted using a coalescence cutoff diameter method. (author)
Two-dimensional numerical simulation of a Stirling engine heat exchanger
Ibrahim, M.B.; Tew, R.C.; Dudenhoefer, J.E.
This paper describes the first phase of an effort to develop multidimensional models of Stirling engine components; the ultimate goal is to model an entire engine working space. More specifically, this paper describes parallel plate and tubular heat exchanger models with emphasis on the central part of the channel (i.e., ignoring hydrodynamic and thermal end effects). The model assumes: Laminar, incompressible flow with constant thermophysical properties. In addition, a constant axial temperature gradient is imposed. The governing equations, describing the model, have been solved Crack-Nicloson finite-difference scheme. Model predictions have been compared with analytical solutions for oscillating/reversing flow and heat transfer in order to check numerical accuracy. The simplifying assumptions will later be relaxed to permit modeling of incompressible, laminar/turbulent flow that occurs in Stirling heat exchanger. Excellent agreement has been obtained for the model predictions with analytical solutions available for both flow in circular tubes and between parallel plates. Also the heat transfer computational results are in good agreement with the heat transfer analytical results for parallel plates.
Numerical simulation of jet mixing concepts in Tank 241-SY-101
Trent, D.S.; Michener, T.E.
The episodic gas release events (GRES) that have characterized the behavior of Tank 241-SY-101 for the past several years are thought to result from gases generated by the waste material in it that become trapped in the layer of settled solids at the bottom of the tank. Several concepts for mitigating the GREs have been proposed. One concept involves mobilizing the solid particles with mixing jets. The rationale behind this idea is to prevent formation of a consolidated layer of settled solids at the bottom of the tank, thus inhibiting the accumulation of gas bubbles in this layer. Numerical simulations were conducted using the TEMPEST computer code to assess the viability and effectiveness of the proposed jet discharge concepts and operating parameters. Before these parametric studies were commenced, a series of turbulent jet studies were conducted that established the adequacy of the TEMPEST code for this application. Configurations studied for Tank 241-SY-101 include centrally located downward discharging jets, draft tubes, and horizontal jets that are either stationary or rotating. Parameter studies included varying the jet discharge velocity, jet diameter, discharge elevation, and material properties. A total of 18 simulations were conducted and are reported in this document. The effect of gas bubbles on the mixing dynamics was not included within the scope of this study.
System and method for simultaneously collecting serial number information from numerous identity tags
Doty, Michael A.
A system and method for simultaneously collecting serial number information reports from numerous colliding coded-radio-frequency identity tags. Each tag has a unique multi-digit serial number that is stored in non-volatile RAM. A reader transmits an ASCII coded "D" character on a carrier of about 900 MHz and a power illumination field having a frequency of about 1.6 Ghz. A one MHz tone is modulated on the 1.6 Ghz carrier as a timing clock for a microprocessor in each of the identity tags. Over a thousand such tags may be in the vicinity and each is powered-up and clocked by the 1.6 Ghz power illumination field. Each identity tag looks for the "D" interrogator modulated on the 900 MHz carrier, and each uses a digit of its serial number to time a response. Clear responses received by the reader are repeated for verification. If no verification or a wrong number is received by any identity tag, it uses a second digital together with the first to time out a more extended period for response. Ultimately, the entire serial number will be used in the worst case collision environments; and since the serial numbers are defined as being unique, the final possibility will be successful because a clear time-slot channel will be available.
System and method for simultaneously collecting serial number information from numerous identity tags
Doty, M.A.
A system and method are disclosed for simultaneously collecting serial number information reports from numerous colliding coded-radio-frequency identity tags. Each tag has a unique multi-digit serial number that is stored in non-volatile RAM. A reader transmits an ASCII coded ``D`` character on a carrier of about 900 MHz and a power illumination field having a frequency of about 1.6 Ghz. A one MHz tone is modulated on the 1.6 Ghz carrier as a timing clock for a microprocessor in each of the identity tags. Over a thousand such tags may be in the vicinity and each is powered-up and clocked by the 1.6 Ghz power illumination field. Each identity tag looks for the ``D`` interrogator modulated on the 900 MHz carrier, and each uses a digit of its serial number to time a response. Clear responses received by the reader are repeated for verification. If no verification or a wrong number is received by any identity tag, it uses a second digital together with the first to time out a more extended period for response. Ultimately, the entire serial number will be used in the worst case collision environments; and since the serial numbers are defined as being unique, the final possibility will be successful because a clear time-slot channel will be available. 5 figs.
Numerical study of transition to supersonic flows in the edge plasma
Goswami, Rajiv, E-mail: email@example.com; Artaud, Jean-Fran�ois; Imbeaux, Fr�d�ric [CEA, IRFM, F-13108 Saint-Paul-lez-Durance (France); Kaw, Predhiman [Institute for Plasma Research, Bhat, Gandhinagar�382428 (India)
The plasma scrape-off layer (SOL) in a tokamak is characterized by ion flow down a long narrow flux tube terminating on a solid surface. The ion flow velocity along a magnetic field line can be equal to or greater than sonic at the entrance of a Debye sheath or upstream in the presheath. This paper presents a numerical study of the transition between subsonic and supersonics flows. A quasineutral one-dimensional (1D) fluid code has been used for modeling of plasma transport in the SOL along magnetic field lines, both in steady state and under transient conditions. The model uses coupled equations for continuity, momentum, and energy balance with ionization, radiation, charge exchange, and recombination processes. The recycled neutrals are described in the diffusion approximation. Standard Bohm sheath criterion is used as boundary conditions at the material surface. Three conditions conducive for the generation of supersonic flows in SOL plasmas have been explored. It is found that in steady state high (attached) and low (detached) divertor temperatures cases, the role of particle, momentum, and energy loss is critical. For attached case, the appearance of shock waves in the divertor region if the incoming plasma flow is supersonic and its effect on impurity retention is presented. In the third case, plasma expansion along the magnetic field can yield time-dependent supersonic solutions in the quasineutral rarefaction wave. Such situations can arise in the parallel transport of intermittent structures such as blobs and edge localized mode filaments along field lines.
Mitigating cutting-induced plasticity in the contour method, Part 2: Numerical analysis
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Muránsky, O.; Hamelin, C. J.; Hosseinzadeh, F.; Prime, M. B.
Cutting-induced plasticity can have a significant effect on the measurement accuracy of the contour method. The present study examines the benefit of a double-embedded cutting configuration that relies on self-restraint of the specimen, relative to conventional edge-crack cutting configurations. A series of finite element analyses are used to simulate the planar sectioning performed during double-embedded and conventional edge-crack contour cutting configurations. The results of numerical analyses are first compared to measured results to validate the cutting simulations. The simulations are then used to compare the efficacy of different cutting configurations by predicting the deviation of the residual stress profile frommore » an original (pre-cutting) reference stress field, and the extent of cutting-induced plasticity. Comparisons reveal that while the double-embedded cutting configuration produces the most accurate residual stress measurements, the highest levels of plastic flow are generated in this process. As a result, this cutting-induced plastic deformation is, however, largely confined to small ligaments formed as a consequence of the sample sectioning process, and as such it does not significantly affect the back-calculated residual stress field.« less
All-reflective optical target illumination system with high numerical aperture
Sigler, Robert D. (Ann Arbor, MI)
An all-reflective optical system for providing illumination of a target focal region at high numerical aperture from a pair of co-axially, confluent collimated light beams. A target cavity is defined by a pair of opposed inner ellipsoidal reflectors having respective first focal points within a target region and second focal points at a vertex opening in the opposing reflector. Outwardly of each inner reflector is the opposed combination of a spherical reflector, and an outer generally ellipsoidal reflector having an aberrated first focal point coincident with the focus of the opposing spherical reflector and a second focal point coincident with the second focal point of the opposing inner ellipsoidal reflector through a vertex opening in the spherical reflector. The confluent collimated beams are incident through vertex openings in the outer ellipsoidal reflectors onto respective opposing spherical reflectors. Each beam is reflected by the associated spherical reflector onto the opposing outer ellipsoidal reflector and focused thereby onto the opposing inner ellipsoidal reflector, and then onto the target region.
Automatic Parallelization of Numerical Python Applications using the Global Arrays Toolkit
Daily, Jeffrey A.; Lewis, Robert R.
Global Arrays is a software system from Pacific Northwest National Laboratory that enables an efficient, portable, and parallel shared-memory programming interface to manipulate distributed dense arrays. The NumPy module is the de facto standard for numerical calculation in the Python programming language, a language whose use is growing rapidly in the scientific and engineering communities. NumPy provides a powerful N-dimensional array class as well as other scientific computing capabilities. However, like the majority of the core Python modules, NumPy is inherently serial. Using a combination of Global Arrays and NumPy, we have reimplemented NumPy as a distributed drop-in replacement called Global Arrays in NumPy (GAiN). Serial NumPy applications can become parallel, scalable GAiN applications with only minor source code changes. Scalability studies of several different GAiN applications will be presented showing the utility of developing serial NumPy codes which can later run on more capable clusters or supercomputers.
Effects of structure formation on the expansion rate of the Universe: An estimate from numerical simulations
Zhao Xinghai; Mathews, Grant J.
General relativistic corrections to the expansion rate of the Universe arise when the Einstein equations are averaged over a spatial volume in a locally inhomogeneous cosmology. It has been suggested that they may contribute to the observed cosmic acceleration. In this paper, we propose a new scheme that utilizes numerical simulations to make a realistic estimate of the magnitude of these corrections for general inhomogeneities in (3+1) spacetime. We then quantitatively calculate the volume averaged expansion rate using N-body large-scale structure simulations and compare it with the expansion rate in a standard FRW cosmology. We find that in the weak gravitational field limit, the converged corrections are slightly larger than the previous claimed 10{sup -5} level, but not large enough nor even of the correct sign to drive the current cosmic acceleration. Nevertheless, the question of whether the cumulative effect can significantly change the expansion history of the Universe needs to be further investigated with strong-field relativity.
SCATTERING OF THE f-MODE BY SMALL MAGNETIC FLUX ELEMENTS FROM OBSERVATIONS AND NUMERICAL SIMULATIONS
Felipe, T.; Braun, D.; Crouch, A.; Birch, A.
The scattering of f-modes by magnetic tubes is analyzed using three-dimensional numerical simulations. An f-mode wave packet is propagated through a solar atmosphere embedded with three different flux tube models that differ in radius and total magnetic flux. A quiet-Sun simulation without a tube present is also performed as a reference. Waves are excited inside the flux tube and propagate along the field lines, and jacket modes are generated in the surroundings of the flux tube, carrying 40% as much energy as the tube modes. The resulting scattered wave is mainly an f-mode composed of a mixture of m = 0 and m = {+-}1 modes. The amplitude of the scattered wave approximately scales with the magnetic flux. A small amount of power is scattered into the p{sub 1}-mode. We have evaluated the absorption and phase shift from a Fourier-Hankel decomposition of the photospheric vertical velocities. They are compared with the results obtained from the ensemble average of 3400 small magnetic elements observed in high-resolution MDI Doppler datacubes. The comparison shows that the observed dependence of the phase shift with wavenumber can be matched reasonably well with the simulated flux tube model. The observed variation of the phase shifts with the azimuthal order m appears to depend on details of the ensemble averaging, including possible motions of the magnetic elements and asymmetrically shaped elements.
Felipe, T.
The conversion of fast waves to the Alfven mode in a realistic sunspot atmosphere is studied through three-dimensional numerical simulations. An upward propagating fast acoustic wave is excited in the high-{beta} region of the model. The new wave modes generated at the conversion layer are analyzed from the projections of the velocity and magnetic field in their characteristic directions, and the computation of their wave energy and fluxes. The analysis reveals that the maximum efficiency of the conversion to the slow mode is obtained for inclinations of 25 Degree-Sign and low azimuths, while the Alfven wave conversions peak at high inclinations and azimuths between 50 Degree-Sign and 120 Degree-Sign . Downward propagating Alfven waves appear at the regions of the sunspot where the orientation of the magnetic field is in the direction opposite to the wave propagation, since at these locations the Alfven wave couples better with the downgoing fast magnetic wave which is reflected due to the gradients of the Alfven speed. The simulations show that the Alfven energy at the chromosphere is comparable to the acoustic energy of the slow mode, being even higher at high inclined magnetic fields.
Numeric-modeling sensitivity analysis of the performance of wind turbine arrays
Lissaman, P.B.S.; Gyatt, G.W.; Zalay, A.D.
An evaluation of the numerical model created by Lissaman for predicting the performance of wind turbine arrays has been made. Model predictions of the wake parameters have been compared with both full-scale and wind tunnel measurements. Only limited, full-scale data were available, while wind tunnel studies showed difficulties in representing real meteorological conditions. Nevertheless, several modifications and additions have been made to the model using both theoretical and empirical techniques and the new model shows good correlation with experiment. The larger wake growth rate and shorter near wake length predicted by the new model lead to reduced interference effects on downstream turbines and hence greater array efficiencies. The array model has also been re-examined and now incorporates the ability to show the effects of real meteorological conditions such as variations in wind speed and unsteady winds. The resulting computer code has been run to show the sensitivity of array performance to meteorological, machine, and array parameters. Ambient turbulence and windwise spacing are shown to dominate, while hub height ratio is seen to be relatively unimportant. Finally, a detailed analysis of the Goodnoe Hills wind farm in Washington has been made to show how power output can be expected to vary with ambient turbulence, wind speed, and wind direction.
Sensor and numerical simulator evaluation for porous medium desiccation and rewetting at the intermediate laboratory scale
Oostrom, Martinus; Wietsma, Thomas W.; Strickland, Christopher E.; Freedman, Vicky L.; Truex, Michael J.
Soil desiccation, in conjunction with surface infiltration control, is considered at the Hanford Site as a potential technology to limit the flux of technetium and other contaminants in the vadose zone to the groundwater. An intermediate-scale experiment was conducted to test the response of a series of instruments to desiccation and subsequent rewetting of porous media. The instruments include thermistors, thermocouple psychrometers, dual-probe heat pulse sensors, heat dissipation units, and humidity probes. The experiment was simulated with the multifluid flow simulator STOMP, using independently obtained hydraulic and thermal porous medium properties. All instrument types used for this experiment were able to indicate when the desiccation front passed a certain location. In most cases the changes were sharp, indicating rapid changes in moisture content, water potential, or humidity. However, a response to the changing conditions was recorded only when the drying front was very close to a sensor. Of the tested instruments, only the heat dissipation unit and humidity probes were able to detect rewetting. The numerical simulation results reasonably match the experimental data, indicating that the simulator captures the pertinent gas flow and transport processes related to desiccation and rewetting and may be useful in the design and analysis of field tests.
GPU accelerated flow solver for direct numerical simulation of turbulent flows
Salvadore, Francesco [CASPUR � via dei Tizii 6/b, 00185 Rome (Italy)] [CASPUR � via dei Tizii 6/b, 00185 Rome (Italy); Bernardini, Matteo, E-mail: email@example.com [Department of Mechanical and Aerospace Engineering, University of Rome �La Sapienza� � via Eudossiana 18, 00184 Rome (Italy)] [Department of Mechanical and Aerospace Engineering, University of Rome �La Sapienza� � via Eudossiana 18, 00184 Rome (Italy); Botti, Michela [CASPUR � via dei Tizii 6/b, 00185 Rome (Italy)] [CASPUR � via dei Tizii 6/b, 00185 Rome (Italy)
Graphical processing units (GPUs), characterized by significant computing performance, are nowadays very appealing for the solution of computationally demanding tasks in a wide variety of scientific applications. However, to run on GPUs, existing codes need to be ported and optimized, a procedure which is not yet standardized and may require non trivial efforts, even to high-performance computing specialists. In the present paper we accurately describe the porting to CUDA (Compute Unified Device Architecture) of a finite-difference compressible Navier�Stokes solver, suitable for direct numerical simulation (DNS) of turbulent flows. Porting and validation processes are illustrated in detail, with emphasis on computational strategies and techniques that can be applied to overcome typical bottlenecks arising from the porting of common computational fluid dynamics solvers. We demonstrate that a careful optimization work is crucial to get the highest performance from GPU accelerators. The results show that the overall speedup of one NVIDIA Tesla S2070 GPU is approximately 22 compared with one AMD Opteron 2352 Barcelona chip and 11 compared with one Intel Xeon X5650 Westmere core. The potential of GPU devices in the simulation of unsteady three-dimensional turbulent flows is proved by performing a DNS of a spatially evolving compressible mixing layer.
Numerical solution of the Stratonovich- and Ito�Euler equations: Application to the stochastic piston problem
Zhang, Zhongqiang; Yang, Xiu; Lin, Guang; Karniadakis, George Em
We consider a piston with a velocity perturbed by Brownian motion moving into a straight tube filled with a perfect gas at rest. The shock generated ahead of the piston can be located by solving the one-dimensional Euler equations driven by white noise using the Stratonovich or Ito formulations. We approximate the Brownian motion with its spectral truncation and subsequently apply stochastic collocation using either sparse grid or the quasi-Monte Carlo (QMC) method. In particular, we first transform the Euler equations with an unsteady stochastic boundary into stochastic Euler equations over a fixed domain with a time-dependent stochastic source term. We then solve the transformed equations by splitting them up into two parts, i.e., a �deterministic part� and a �stochastic part�. Numerical results verify the Stratonovich�Euler and Ito�Euler models against stochastic perturbation results, and demonstrate the efficiency of sparse grid and QMC for small and large random piston motions, respectively. The variance of shock location of the piston grows cubically in the case of white noise in contrast to colored noise reported in [1], where the variance of shock location grows quadratically with time for short times and linearly for longer times.
Numerical simulation of solar heat absorption within indoor space by means of composite grid method
Omori, Toshiaki; Murakami, Shuzo; Kato, Shinsuke
This paper describes the method for numerical simulation of solar radiation entering indoor spaces through fenestration. The proposed method can systematically deal with the interception of sunlight by buildings in the outdoor space and obstacles in the indoor space by tracing a large number of particles directed toward the sun. Configuration factors from the fenestration to the sky are also three-dimensionally treated by accounting for outdoor geometries. Distribution of the solar heat absorption in the indoor space is calculated by assuming radiation equilibrium. After the solar heat absorption analysis is carried out, heat transfer analysis in the space is conducted taking account of longwave radiation, convective heat transfer, thermal conduction, and cooling/heating by air conditioning. Then, the indoor thermal environment is evaluated using the resulting temperature distribution of air and indoor surfaces. To evaluate the applicability of these procedures, the thermal environment in a model hall with large glass windows and an overhang is predicted. The analyzed hall is assumed to be located near a tall building.
Numerical investigation on target implosions driven by radiation ablation and shock compression in dynamic hohlraums
Xiao, Delong; Sun, Shunkai; Zhao, Yingkui; Ding, Ning; Wu, Jiming; Dai, Zihuan; Yin, Li; Zhang, Yang; Xue, Chuang
In a dynamic hohlraum driven inertial confinement fusion (ICF) configuration, the target may experience two different kinds of implosions. One is driven by hohlraum radiation ablation, which is approximately symmetric at the equator and poles. The second is caused by the radiating shock produced in Z-pinch dynamic hohlraums, only taking place at the equator. To gain a symmetrical target implosion driven by radiation ablation and avoid asymmetric shock compression is a crucial issue in driving ICF using dynamic hohlraums. It is known that when the target is heated by hohlraum radiation, the ablated plasma will expand outward. The pressure in the shocked converter plasma qualitatively varies linearly with the material temperature. However, the ablation pressure in the ablated plasma varies with 3.5 power of the hohlraum radiation temperature. Therefore, as the hohlraum temperature increases, the ablation pressure will eventually exceed the shock pressure, and the expansion of the ablated plasma will obviously weaken the shock propagation and decrease its velocity after propagating into the ablator plasma. Consequently, longer time duration is provided for the symmetrical target implosion driven by radiation ablation. In this paper these processes are numerically investigated by changing drive currents or varying load parameters. The simulation results show that a critical hohlraum radiation temperature is needed to provide a high enough ablation pressure to decelerate the shock, thus providing long enough time duration for the symmetric fuel compression driven by radiation ablation.
Comparison Between Numerical and Experimental Results on Mechanical Stirrer and Bubbling in a Cylindrical Tank - 13047
Lima da Silva, M.; Sauvage, E.; Brun, P.; Gagnoud, A.; Fautrelle, Y.; Riva, R.
The process of vitrification in a cold crucible heated by direct induction is used in the fusion of oxides. Its feature is the production of high-purity materials. The high-level of purity of the molten is achieved because this melting technique excludes the contamination of the charge by the crucible. The aim of the present paper is to analyze the hydrodynamic of the vitrification process by direct induction, with the focus in the effects associated with the interaction between the mechanical stirrer and bubbling. Considering the complexity of the analyzed system and the goal of the present work, we simplified the system by not taking into account the thermal and electromagnetic phenomena. Based in the concept of hydraulic similitude, we performed an experimental study and a numerical modeling of the simplified model. The results of these two studies were compared and showed a good agreement. The results presented in this paper in conjunction with the previous work contribute to a better understanding of the hydrodynamics effects resulting from the interaction between the mechanical stirrer and air bubbling in the cold crucible heated by direct induction. Further works will take into account thermal and electromagnetic phenomena in the presence of mechanical stirrer and air bubbling. (authors)
Buscheck, Timothy Eric
There has been an increasing interest in probabilistic modeling of hydrogeologic systems. The classical approach to groundwater modeling has been deterministic in nature, where individual layers and formations are assumed to be uniformly homogeneous. Even in the case of complex heterogeneous systems, the heterogeneities describe the differences in parameter values between various layers, but not within any individual layer. In a deterministic model a single-number is assigned to each hydrogeologic parameter, given a particular scale of interest. However, physically there is no such entity as a truly uniform and homogeneous unit. Single-number representations or deterministic predictions are subject to uncertainties. The approach used in this work models such uncertainties with probabilistic parameters. The resulting statistical distributions of output variables are analyzed. A numerical algorithm, based on axiomatic principles of probability theory, performs arithmetic operations between probability distributions. Two subroutines are developed from the algorithm and incorporated into the computer program TERZAGI, which solves groundwater flow problems in saturated, multi-dimensional systems. The probabilistic computer program is given the name, PROGRES. The algorithm has been applied to study the following problems: one-dimensional flow through homogeneous media, steady-state and transient flow conditions, one-dimensional flow through heterogeneous media, steady-state and transient flow conditions, and two-dimensional steady-stte flow through heterogeneous media. The results are compared with those available in the literature.
Numerical Study of Field-reversed Configurations: The Formation and Ion Spin-up
E.V. Belova; R.C. Davidson; H. Ji; M. Yamada; C.D. Cothran; M.R. Brown; M.J. Schaffer
Results of three-dimensional numerical simulations of field-reversed configurations (FRCs) are presented. Emphasis of this work is on the nonlinear evolution of magnetohydrodynamic (MHD) instabilities in kinetic FRCs, and the new FRC formation method by counter-helicity spheromak merging. Kinetic simulations show nonlinear saturation of the n = 1 tilt mode, where n is the toroidal mode number. The n = 2 and n = 3 rotational modes are observed to grow during the nonlinear phase of the tilt instability due to the ion spin-up in the toroidal direction. The ion toroidal spin-up is shown to be related to the resistive decay of the internal flux, and the resulting loss of particle confinement. Three-dimensional MHD simulations of counter-helicity spheromak merging and FRC formation show good qualitative agreement with results from the SSX-FRC experiment. The simulations show formation of an FRC in about 20-30 Alfven times for typical experimental parameters. The growth rate of the n = 1 tilt mode is shown to be significantly reduced compared to the MHD growth rate due to the large plasma viscosity and field-line-tying effects.
Two-dimensional numerical simulation of boron diffusion for pyramidally textured silicon
Ma, Fa-Jun Duttagupta, Shubham; Shetty, Kishan Devappa; Meng, Lei; Hoex, Bram; Peters, Ian Marius; Samudra, Ganesh S.
Multidimensional numerical simulation of boron diffusion is of great relevance for the improvement of industrial n-type crystalline silicon wafer solar cells. However, surface passivation of boron diffused area is typically studied in one dimension on planar lifetime samples. This approach neglects the effects of the solar cell pyramidal texture on the boron doping process and resulting doping profile. In this work, we present a theoretical study using a two-dimensional surface morphology for pyramidally textured samples. The boron diffusivity and segregation coefficient between oxide and silicon in simulation are determined by reproducing measured one-dimensional boron depth profiles prepared using different boron diffusion recipes on planar samples. The established parameters are subsequently used to simulate the boron diffusion process on textured samples. The simulated junction depth is found to agree quantitatively well with electron beam induced current measurements. Finally, chemical passivation on planar and textured samples is compared in device simulation. Particularly, a two-dimensional approach is adopted for textured samples to evaluate chemical passivation. The intrinsic emitter saturation current density, which is only related to Auger and radiative recombination, is also simulated for both planar and textured samples. The differences between planar and textured samples are discussed.
Terascale Direct Numerical Simulations of Turbulent Combustion: Capabilities and Limits (PReSS Talk)
Yoo, Chun Sang
The rapid growth in computational capabilities has provided great opportunities for direct numerical simulations (DNS) of turbulent combustion, a type of simulations without any turbulence model. With the help of terascale high performance supercomputing (HPC) resources, we are now able to provide fundamental insight into turbulence-chemistry interaction in simple laboratory-scale turbulent flames with detailed chemistry using three-dimensional (3D) DNS. However, the actual domain size of 3D-DNS is still limited within {approx} O(10 cm{sup 3}) due to its tremendously high grid resolution required to resolve the smallest turbulent length scale as well as flame structures. Moreover, 3D-DNS will require more computing powers to investigate next-generation engines, of which operating conditions will be characterized by higher pressures, lower temperatures, and higher levels of dilution. In this talk, I will discuss the capabilities and limits of DNS of turbulent combustion and present some results of ignition/extinction characteristics of a highly diluted hydrogen flame counter-flowing against heated air. The results of our recent 3D-DNS of a spatially-developing turbulent lifted hydrogen jet flame in heated coflow will also be presented. The 3D-DNS was performed at a jet Reynolds number of 11,000 with {approx} 1 billion grid points, which required 3.5 million CPU hours on Cray XT3/XT4 at Oak Ridge National Laboratories.
Detailed numerical investigation of the Bohm limit in cosmic ray diffusion theory
Hussein, M.; Shalchi, A. E-mail: firstname.lastname@example.com
A standard model in cosmic ray diffusion theory is the so-called Bohm limit in which the particle mean free path is assumed to be equal to the Larmor radius. This type of diffusion is often employed to model the propagation and acceleration of energetic particles. However, recent analytical and numerical work has shown that standard Bohm diffusion is not realistic. In the present paper, we perform test-particle simulations to explore particle diffusion in the strong turbulence limit in which the wave field is much stronger than the mean magnetic field. We show that there is indeed a lower limit of the particle mean free path along the mean field. In this limit, the mean free path is directly proportional to the unperturbed Larmor radius like in the traditional Bohm limit, but it is reduced by the factor ?B/B {sub 0} where B {sub 0} is the mean field and ?B the turbulent field. Although we focus on parallel diffusion, we also explore diffusion across the mean field in the strong turbulence limit.
A review of direct numerical simulations of astrophysical detonations and their implications
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Parete-Koon, Suzanne T.; Smith, Christopher R.; Papatheodore, Thomas L.; Bronson Messer, O. E.
Multi-dimensional direct numerical simulations (DNS) of astrophysical detonations in degenerate matter have revealed that the nuclear burning is typically characterized by cellular structure caused by transverse instabilities in the detonation front. Type Ia supernova modelers often use one- dimensional DNS of detonations as inputs or constraints for their whole star simulations. While these one-dimensional studies are useful tools, the true nature of the detonation is multi-dimensional. The multi-dimensional structure of the burning influences the speed, stability, and the composition of the detonation and its burning products, and therefore, could have an impact on the spectra of Type Ia supernovae. Considerablemore » effort has been expended modeling Type Ia supernovae at densities above 1x107 g∙cm-3 where the complexities of turbulent burning dominate the flame propagation. However, most full star models turn the nuclear burning schemes off when the density falls below 1x107 g∙cm-3 and distributed burning begins. The deflagration to detonation transition (DDT) is believed to occur at just these densities and consequently they are the densities important for studying the properties of the subsequent detonation. In conclusion, this work reviews the status of DNS studies of detonations and their possible implications for Type Ia supernova models. It will cover the development of Detonation theory from the first simple Chapman-Jouguet (CJ) detonation models to the current models based on the time-dependent, compressible, reactive flow Euler equations of fluid dynamics.« less
Analytical and numerical study of the transverse Kelvin-Helmholtz instability in tokamak edge plasmas
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Myra, James R.; D'Ippolito, Daniel A.; Russell, David A.; Umansky, Maxim V.; Baver, Derek A.
Sheared flows perpendicular to the magnetic field can be driven by the Reynolds stress or ion pressure gradient effects and can potentially influence the stability and turbulent saturation level of edge plasma modes. On the other hand, such flows are subject to the transverse Kelvin- Helmholtz (KH) instability. Here, the linear theory of KH instabilities is first addressed with an analytic model in the asymptotic limit of long wavelengths compared with the flow scale length. The analytic model treats sheared ExB flows, ion diamagnetism (including gyro-viscous terms), density gradients and parallel currents in a slab geometry, enabling a unified summarymore » that encompasses and extends previous results. In particular, while ion diamagnetism, density gradients and parallel currents each individually reduce KH growth rates, the combined effect of density and ion pressure gradients is more complicated and partially counteracting. Secondly, the important role of realistic toroidal geometry is explored numerically using an invariant scaling analysis together with the 2DX eigenvalue code to examine KH modes in both closed and open field line regions. For a typical spherical torus magnetic geometry, it is found that KH modes are more unstable at and just outside the separatrix as a result of the distribution of magnetic shear. Lastly implications for reduced edge turbulence modeling codes are discussed.« less
Numerical simulation of gas flow through unsaturated fractured rock at Yucca Mountain, Nevada
Cooper, C.A.
Numerical analysis is used to identify the physical phenomena associated with barometrically driven gas (air and water vapor) flow through unsaturated fractured rock at Yucca Mountain, Nevada. Results from simple finite difference simulations indicate that for a fractured rock scenario, the maximum velocity of air out of an uncased 10 cm borehole is 0.002 m s{sub {minus}1}. An equivalent porous medium (EPM) model was incorporated into a multiphase, multicomponent simulator to test more complex conceptual models. Results indicate that for a typical June day, a diurnal pressure wave propagates about 160 m into the surrounding Tiva Canyon hydrogeologic unit. Dry air that enters the formation evaporates water around the borehole which reduces capillary pressure. Multiphase countercurrent flow develops in the vicinity of the hole; the gas phase flows into the formation while the liquid phase flows toward the borehole. The effect occurs within 0.5 m of the borehole. The amount of water vapor leaving the formation during 1 day is 900 cm{sup 3}. This is less than 0.1% of the total recharge into the formation, suggesting that the barometric effect may be insignificant in drying the unsaturated zone. However, gas phase velocities out of the borehole (3 m s{sup {minus}1}), indicating that observed flow rates from wells along the east flank of Yucca Mountain were able to be simulated with a barometric model.
Correction of steel casing effect for density log using numerical and experimental methods in the slim borehole
Hwang, Seho; Shin, Jehyun; Kim, Jongman; Won, Byeongho
Density log is widely applied for a variety of fields such as the petroleum exploration, mineral exploration, and geotechnical survey. The logging condition of density log is normally open holes but there are frequently cased boreholes. The primary calibration curve by slim hole logging manufacturer is normally the calibration curves for the variation of borehole diameter. In this study, we have performed the correction of steel casing effects using numerical and experimental methods. We have performed numerical modeling using the Monte Carlo N-Particle (MCNP) code based on Monte Carlo method, and field experimental method from open and cased hole log. In this study, we used the FDGS (Formation Density Gamma Sonde) for slim borehole with a 100 mCi 137Cs source, three inch borehole and steel casing. The casing effect between numerical and experimental method is well matched.
Taylor, G.; Dong, C.; Sun, S.
A mathematical model for contaminant species passing through fractured porous media is presented. In the numerical model, we combine two locally conservative methods, i.e. mixed finite element (MFE) and the finite volume methods. Adaptive triangle mesh is used for effective treatment of the fractures. A hybrid MFE method is employed to provide an accurate approximation of velocities field for both the fractures and matrix which are crucial to the convection part of the transport equation. The finite volume method and the standard MFE method are used to approximate the convection and dispersion terms respectively. The model is used to investigate the interaction of adsorption with transport and to extract information on effective adsorption distribution coefficients. Numerical examples in different fractured media illustrate the robustness and efficiency of the proposed numerical model.
Large Eddy Simulation of Wind Turbine Wakes. Detailed Comparisons of Two Codes Focusing on Effects of Numerics and Subgrid Modeling
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Martinez-Tossas, Luis A.; Churchfield, Matthew J.; Meneveau, Charles
In this work we report on results from a detailed comparative numerical study from two Large Eddy Simulation (LES) codes using the Actuator Line Model (ALM). The study focuses on prediction of wind turbine wakes and their breakdown when subject to uniform inflow. Previous studies have shown relative insensitivity to subgrid modeling in the context of a finite-volume code. The present study uses the low dissipation pseudo-spectral LES code from Johns Hopkins University (LESGO) and the second-order, finite-volume OpenFOAMcode (SOWFA) from the National Renewable Energy Laboratory. When subject to uniform inflow, the loads on the blades are found to bemore » unaffected by subgrid models or numerics, as expected. The turbulence in the wake and the location of transition to a turbulent state are affected by the subgrid-scale model and the numerics.« less
The Numerical Tokamak Project (NTP) simulation of turbulent transport in the core plasma: A grand challenge in plasma physics
Not Available
The long-range goal of the Numerical Tokamak Project (NTP) is the reliable prediction of tokamak performance using physics-based numerical tools describing tokamak physics. The NTP is accomplishing the development of the most advanced particle and extended fluid model`s on massively parallel processing (MPP) environments as part of a multi-institutional, multi-disciplinary numerical study of tokamak core fluctuations. The NTP is a continuing focus of the Office of Fusion Energy`s theory and computation program. Near-term HPCC work concentrates on developing a predictive numerical description of the core plasma transport in tokamaks driven by low-frequency collective fluctuations. This work addresses one of the greatest intellectual challenges to our understanding of the physics of tokamak performance and needs the most advanced computational resources to progress. We are conducting detailed comparisons of kinetic and fluid numerical models of tokamak turbulence. These comparisons are stimulating the improvement of each and the development of hybrid models which embody aspects of both. The combination of emerging massively parallel processing hardware and algorithmic improvements will result in an estimated 10**2--10**6 performance increase. Development of information processing and visualization tools is accelerating our comparison of computational models to one another, to experimental data, and to analytical theory, providing a bootstrap effect in our understanding of the target physics. The measure of success is the degree to which the experimentally observed scaling of fluctuation-driven transport may be predicted numerically. The NTP is advancing the HPCC Initiative through its state-of-the-art computational work. We are pushing the capability of high performance computing through our efforts which are strongly leveraged by OFE support.
Basalt Middle School Teacher Recognized for Renewable Energy Efforts - News
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Baruch Plan Presented Baruch Plan Presented New York, NY Bernard Baruch presents the American plan for international control of atomic research to the United Nations. The Soviet Union opposes the plan, rendering it useless
Barwood CNG Cab Fleet Study Final Results May 1999 * NREL/ TP-540-26035 Peg Whalen, Ken Kelly, and Mardi John National Renewable Energy Laboratory 1617 Cole Boulevard Golden, Colorado 80401-3393 NREL is a U.S. Department of Energy Laboratory Operated by Midwest Research
Porosity, permeability, and their relationship in granite, basalt, and tuff
Not Available
This report discusses the porosity, storage, and permeability of fractured (mainly crystalline) rock types proposed as host rock for nuclear waste repositories. The emphasis is on the inter-relationships of these properties, but a number of reported measurements are included as well. The porosity of rock is shown to consist of fracture porosity and matrix porosity; techniques are described for determining the total interconnected porosity through both laboratory and field measurement. Permeability coefficient, as obtained by experiments ranging from laboratory to crustal scale, is discussed. Finally, the problem of determining the relationship between porosity and permeability is discussed. There is no simple, all encompassing relationship that describes the dependence of permeability upon porosity. However, two particular cases have been successfully analyzed: flow through a single rough fracture, and flow through isotropic porous rock. These two cases are discussed in this report.
Type F: Oceanic-ridge, Basaltic Resource | Open Energy Information
464 F 923.67 R References Colin F. Williams, Marshall J. Reed and Arlene F. Anderson. 2011. Updating the Classification of Geothermal Resources - Presentation. In:...
Study identifies two Northwest basalt rock caverns sites for...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
variable wind energy generation throughout the day. "With more power coming from variable sources such as wind and the sun, compressed air energy storage plants can play a valuable...
A Primitive Alkali Basaltic Stratovolcano And Associated Eruptive...
define a very high geotherm consistent with their location near the Yermak hot spot, and provide a good datum point for the geothermal gradient adjacent to such a thermal...
Experimental and numerical study of gas dynamic window for electron beam transport into the space with increased pressure
Skovorodko, P. A.; Sharafutdinov, R. G.
The paper is devoted to experimental and numerical study of the gas jet technical device for obtaining axisymmetric flow with low pressure in its near axis region. The studied geometry of the device is typical of that used in the plasma generator consisting of an electron gun with a hollow (plasma) cathode and a double supersonic ring nozzle. The geometry of the nozzles as well as the relation between the gas flow rates through the nozzles providing the electron beam extraction into the region with increased pressure are tested both experimentally and numerically. The maximum external pressure of about 0.25 bar that does not disturb the electron beam is achieved.
TOUGH2: A general-purpose numerical simulator for multiphase nonisothermal flows
Pruess, K.
Numerical simulators for multiphase fluid and heat flows in permeable media have been under development at Lawrence Berkeley Laboratory for more than 10 yr. Real geofluids contain noncondensible gases and dissolved solids in addition to water, and the desire to model such `compositional` systems led to the development of a flexible multicomponent, multiphase simulation architecture known as MULKOM. The design of MULKOM was based on the recognition that the mass-and energy-balance equations for multiphase fluid and heat flows in multicomponent systems have the same mathematical form, regardless of the number and nature of fluid components and phases present. Application of MULKOM to different fluid mixtures, such as water and air, or water, oil, and gas, is possible by means of appropriate `equation-of-state` (EOS) modules, which provide all thermophysical and transport parameters of the fluid mixture and the permeable medium as a function of a suitable set of primary thermodynamic variables. Investigations of thermal and hydrologic effects from emplacement of heat-generating nuclear wastes into partially water-saturated formations prompted the development and release of a specialized version of MULKOM for nonisothermal flow of water and air, named TOUGH. TOUGH is an acronym for `transport of unsaturated groundwater and heat` and is also an allusion to the tuff formations at Yucca Mountain, Nevada. The TOUGH2 code is intended to supersede TOUGH. It offers all the capabilities of TOUGH and includes a considerably more general subset of MULKOM modules with added capabilities. The paper briefly describes the simulation methodology and user features.
Theoretical and numerical analyses of a slit-masked chicane for modulated bunch generation
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Zhu, Xiaofang; Broemmelsiek, Daniel R.; Shin, Young -Min; Fermi National Accelerator Lab.
Density modulations on electron beams can improve machine performance of beam-driven accelerators and FELs with resonance beam-wave coupling. The beam modulation is studied with a masked chicane by the analytic model and simulations with the beam parameters of the Fermilab Accelerator Science and Technology (FAST) facility. With the chicane design parameters (bending angle of 18o, bending radius of 0.95 m and R56 ~ –0.19 m) and a nominal beam of 3 ps bunch length, the analytic model showed that a slit-mask with slit period 900 μ m and aperture width 300 μ m induces a modulation of bunch-to-bunch spacing ~more » 100 μ m to the bunch with 2.4% correlated energy spread. With the designed slit mask and a 3 ps bunch, particle-in-cell (PIC) simulations, including nonlinear energy distributions, space charge force, and coherent synchrotron radiation (CSR) effect, also result in beam modulation with bunch-to-bunch distance around 100 μ m and a corresponding modulation frequency of 3 THz. The beam modulation has been extensively examined with three different beam conditions, 2.25 ps (0.25 nC), 3.25 ps (1 nC), and 4.75 ps (3.2 nC), by tracking code Elegant. The simulation analysis indicates that the sliced beam by the slit-mask with 3 ~ 6% correlated energy spread has modulation lengths about 187 μ m (0.25 nC), 270 μ m (1 nC) and 325 μ m (3.2 nC). As a result, the theoretical and numerical data proved the capability of the designed masked chicane in producing modulated bunch train with micro-bunch length around 100 fs.« less
Some effects of data base variations on numerical simulations of uranium migration
Carnahan, C.L.
Numerical simulations of migration of chemicals in the geosphere depend on knowledge of identities of chemical species and on values of chemical equilibrium constants supplied to the simulators. In this work, some effects of variability in assumed speciation and in equilibrium constants were examined, using migration of uranium as an example. Various simulations were done of uranium migration in systems with varying oxidation potential, pH, and mator component content. A simulation including formation of aqueous species UO/sub 2//sup 2 +/, UO/sub 2/CO/sub 3//sup 0/, UO/sub 2/(CO/sub 3/)/sub 2//sup 2 -/, UO/sub 2/(CO/sub 3/)/sub 3//sup 4 -/, (UO/sub 2/)/sub 2/CO/sub 3/(OH)/sub 3//sup -/, UO/sub 2//sup +/, U(OH)/sub 4//sup 0/, and U(OH)/sub 5//sup -/ is compared to simulation excluding formation of UO/sub 2//sup +/ and U(OH)/sub 5//sup -/. These simulations relied on older data bases, and they are compared to a further simulation using recently published data on formation of U(OH)/sub 4//sup 0/, (UO/sub 2/)/sub 2/CO/sub 3/(OH)/sub 3//sup -/, UO/sub 2/(CO/sub 3/)/sub 5//sup 5 -/, and U(CO/sub 3/)/sub 5//sup 6 -/. Significant differences in dissolved uranium concentrations are noted among the simulations. Differences are noted also in precipitation of two solids, USiO/sub 4/(c) (coffinite) and CaUO/sub 4/(c) (calcium uranate), although the solubility products of the solids were not varied in the simulations. 18 refs., 9 figs., 2 tabs.
Theoretical and numerical analyses of a slit-masked chicane for modulated bunch generation
Zhu, Xiaofang; Broemmelsiek, Daniel R.; Shin, Young -Min
Density modulations on electron beams can improve machine performance of beam-driven accelerators and FELs with resonance beam-wave coupling. The beam modulation is studied with a masked chicane by the analytic model and simulations with the beam parameters of the Fermilab Accelerator Science and Technology (FAST) facility. With the chicane design parameters (bending angle of 18o, bending radius of 0.95 m and R56 ~ –0.19 m) and a nominal beam of 3 ps bunch length, the analytic model showed that a slit-mask with slit period 900 μ m and aperture width 300 μ m induces a modulation of bunch-to-bunch spacing ~ 100 μ m to the bunch with 2.4% correlated energy spread. With the designed slit mask and a 3 ps bunch, particle-in-cell (PIC) simulations, including nonlinear energy distributions, space charge force, and coherent synchrotron radiation (CSR) effect, also result in beam modulation with bunch-to-bunch distance around 100 μ m and a corresponding modulation frequency of 3 THz. The beam modulation has been extensively examined with three different beam conditions, 2.25 ps (0.25 nC), 3.25 ps (1 nC), and 4.75 ps (3.2 nC), by tracking code Elegant. The simulation analysis indicates that the sliced beam by the slit-mask with 3 ~ 6% correlated energy spread has modulation lengths about 187 μ m (0.25 nC), 270 μ m (1 nC) and 325 μ m (3.2 nC). As a result, the theoretical and numerical data proved the capability of the designed masked chicane in producing modulated bunch train with micro-bunch length around 100 fs.
Experimental and Numerical Assessment of a New Alternative of RBS Moment Connection
Mirghaderi, Rasoul; Imanpour, Ali; Keshavarzi, Farhad; Torabian, Shahab
Reduced beam section (RBS) connection has been known as a famous connection for steel moment-resisting seismic frames in high-rise buildings, because of their economical advantages and seismic ductility. In the ordinary RBS connection, often portions of the beam flanges are selectively trimmed in the region adjacent to the beam-to-column connection, and beam section is weakened in the plastic hinge region; section weakening concept in the plastic hinge region of beam cause to reduction of beam plastic section modulus in this region, and force plastic hinge to occur within the reduced section.This paper presents a new alternative of RBS connection that has been used aforesaid weakening concept in it, with this difference that corrugated steel plate webs instead of beam flange cutting has been used in limited specific length near the column face. Corrugated steel plates because of their accordion effect don't have bending rigidity, then using of these plates in plastic hinge region reduces the beam plastic section modulus and plastic hinge is formed in corrugated region. For investigating the seismic behavior and performance of new RBS moment connection, experimental specimen of new RBS connection were subjected to cyclic load, and finite element analysis were executed. The result of cyclic test and numerical analysis specified that the corrugated webs improved the plastic stability and provided capability of large plastic rotation at the plastic hinge location without any appreciable buckling and brittle fractures in this region. The test observations also showed that the specimens' plastic rotations exceeded 0.04 rad without any local and global buckling. All of the analytical results for proposed connection are generally in good agreement with the test observations.
Numerical simulations of quiet sun magnetism: On the contribution from a small-scale dynamo
Rempel, M.
We present a series of radiative MHD simulations addressing the origin and distribution of the mixed polarity magnetic field in the solar photosphere. To this end, we consider numerical simulations that cover the uppermost 2-6 Mm of the solar convection zone and we explore scales ranging from 2 km to 25 Mm. We study how the strength and distribution of the magnetic field in the photosphere and subsurface layers depend on resolution, domain size, and boundary conditions. We find that 50% of the magnetic energy at the τ = 1 level comes from fields with the less than 500 G strength and that 50% of the energy resides on scales smaller than about 100 km. While the probability distribution functions are essentially independent of resolution, properly describing the spectral energy distribution requires grid spacings of 8 km or smaller. The formation of flux concentrations in the photosphere exceeding 1 kG requires a mean vertical field strength greater than 30-40 G at τ = 1. The filling factor of kG flux concentrations increases with overall domain size as the magnetic field becomes organized by larger, longer-lived flow structures. A solution with a mean vertical field strength of around 85 G at τ = 1 requires a subsurface rms field strength increasing with depth at the same rate as the equipartition field strength. We consider this an upper limit for the quiet Sun field strength, which implies that most of the convection zone is magnetized close to the equipartition. We discuss these findings in view of recent high-resolution spectropolarimetric observations of quiet Sun magnetism.
Numerical study of oscillatory flow and heat transfer in a loaded thermoacoustic stack
Worlikar, A.S.; Knio, O.M.
A thermoacoustic refrigerator may be idealized as consisting of a straight resonance tube housing a stack of parallel plates and heat exchangers, and an acoustic source. Among the advantages of thermoacoustic refrigerators are the simplicity of their design and the fact that they naturally avoid the need for harmful refrigerants such as chlorofluorocarbons (CFCs). The operation of these devices is based on exploiting the well-known thermoacoustic effect to induce a temperature difference across the stack and to transport heat from one end of the plate to the other. Heat exchangers are then used to transfer energy from the thermoacoustic refrigerator to hot and cold reservoirs. A two-dimensional, low-Mach-number computational model is used to analyze the unsteady flow and temperature fields in the neighborhood of an idealized stack/heat exchanger configuration. The model relies on a vorticity-based formulation of the mass, momentum, and energy equations in the low-Mach-number, short-stack limit. The stack and heat exchangers are assumed to consist of flat plates of equal thickness. The heat exchanger plates are assumed isothermal and in perfect thermal contact with the stack plates. The simulations are used to study the effect of heat exchanger size and operating conditions on the heat transfer and stack performance. Computed results show that optimum stack performance is achieved when the length of the heat exchanger is nearly equal to the peak-to-peak particle displacement. Numerical estimates of the mean enthalpy flux within the channel are in good agreement with the predictions of linear theory. However, the results reveal that a portion of the heat exchangers is ineffective due to reverse heat transfer. Details of the energy flux density around the heat exchangers are visualized, and implications regarding heat exchanger design and model extension are discussed.
Numerical study of the effect of oxygenated blending compounds on soot formation in shock tubes
Boehm, H.; Braun-Unkhoff, M.
This numerical study deals with the influence of blends on the amount of soot formed in shock tubes, which were simulated by assuming a homogeneous plug flow reactor model. For this purpose, first, the reaction model used here was validated against experimental results previously obtained in the literature. Then, the soot volume fractions of various mixtures of methyl tert-butyl ether (MTBE)-benzene, isobutene-benzene, methanol-benzene, and ethanol-benzene diluted in argon were simulated and compared to the results of benzene-argon pyrolysis at 1721 K and 5.4 MPa. For MTBE, isobutene, methanol, and ethanol, small amounts of additives to benzene-argon mixtures promoted soot formation, for the shock tube model assumed, while higher concentrations of these additives led to smaller soot volume fractions in comparison to pure benzene-argon pyrolysis. The most significant soot promotion effect was found for the additives MTBE and isobutene. The channel for MTBE decomposition producing isobutene and methanol is very effective at temperatures beyond 1200 K. Thus, both MTBE-benzene and isobutene-benzene mixtures diluted in argon showed rather similar behavior in regard to soot formation. Special emphasis was directed toward the causes for the concentration-dependent influence of the blends on the amount of soot formed. Aromatic hydrocarbons and acetylene were identified as key gas-phase species that determine the trends in the formation of soot of various mixtures. From reaction flux analysis for phenanthrene, it was deduced that the combinative routes including phenyl species play a major role in forming PAHs, especially at early reaction times. It is found that the additives play an important role in providing material to grow side chains, such as by reaction channels including phenylacetylene or benzyl, which are confirmed to form aromatic hydrocarbons and thus to influence the amount of soot formed, particularly when the concentrations of the blends are increased. (author)
Evolution of turbulence in the expanding solar wind, a numerical study
Dong, Yue; Grappin, Roland; Verdini, Andrea E-mail: firstname.lastname@example.com
We study the evolution of turbulence in the solar wind by solving numerically the full three-dimensional (3D) magnetohydrodynamic (MHD) equations embedded in a radial mean wind. The corresponding equations (expanding box model or EBM) have been considered earlier but never integrated in 3D simulations. Here, we follow the development of turbulence from 0.2 AU up to about 1.5 AU. Starting with isotropic spectra scaling as k {sup –1}, we observe a steepening toward a k {sup –5/3} scaling in the middle of the wave number range and formation of spectral anisotropies. The advection of a plasma volume by the expanding solar wind causes a non-trivial stretching of the volume in directions transverse to radial and the selective decay of the components of velocity and magnetic fluctuations. These two effects combine to yield the following results. (1) Spectral anisotropy: gyrotropy is broken, and the radial wave vectors have most of the power. (2) Coherent structures: radial streams emerge that resemble the observed microjets. (3) Energy spectra per component: they show an ordering in good agreement with the one observed in the solar wind at 1 AU. The latter point includes a global dominance of the magnetic energy over kinetic energy in the inertial and f {sup –1} range and a dominance of the perpendicular-to-the-radial components over the radial components in the inertial range. We conclude that many of the above properties are the result of evolution during transport in the heliosphere, and not just the remnant of the initial turbulence close to the Sun.
Numerical simulation of a wave-guide mixing layer on a Cray C-90
Greenough, J.A.; Crutchfield, W.Y.; Rendleman, C.A.
The development of a three-dimensional spatially evolving compressible mixing layer is investigated numerically using a parallel implementation of Adaptive Mesh Refinement (AMR) on a Cray C-90. The parallel implementation allowed the flow to be highly resolved while significantly reducing the wall-clock runtime. A sustained computation rate of 5.3 Gigaflops including I/O was obtained for a typical production run on a 16 processor machine. A novel mixing layer configuration is investigated where a pressure mismatch is maintained between the two inlet streams. In addition, the sonic character of the two streams is sufficiently different so that the pressure relief wave is trapped in the high speed stream. The trapped wave forces the mixing layer to form a characteristic cellular pattern. The cellular structure introduces curvature into the mixing layer that excites centrifugal instabilities characterized by large-scale counter-rotating vortical pairs embedded within the mixing layer. These are the dominant feature of the flow. Visualizations of these structures in cross-section show the pumping action which lifts dense fluid up into light gas. This effect has a strong impact on mixing enhancement as monitored by a conserved scalar formulation. Once the large-scale structures axe well established in the flow and undergo intensification from favorable velocity gradients, the time-averaged integrated product shows almost a four-fold increase. A spectral analysis of the flow-field over the cellular structures, as part of a full space-time analysis, shows these structures to be zero-frequency modes that develop from low level essentially broad-banded noise. This characterization of the vortical structures and their appearance is consistent with a recent linear stability analysis, of a mixing layer over a curved wall that predicts the most unstable modes to be zero frequency streamwise vortices.
An approach for the development of an aerodynamic-structural interaction numerical simulation for aeropropulsion systems
Naziar, J.; Couch, R.; Davis, M.
Traditionally, aeropropulsion structural performance and aerodynamic performance have been designed separately and later mated together via flight testing. In today`s atmosphere of declining resources, it is imperative that more productive ways of designing and verifying aeropropulsion performance and structural interaction be made available to the aerospace industry. One method of obtaining a more productive design and evaluation capability is through the use of numerical simulations. Currently, Lawrence Livermore National Laboratory has developed a generalized fluid/structural interaction code known as ALE3D. This code is capable of characterizing fluid and structural interaction for components such as the combustor, fan/stators, inlet and/or nozzles. This code solves the 3D Euler equations and has been applied to several aeropropulsion applications such as a supersonic inlet and a combustor rupture simulation. To characterize aerodynamic-structural interaction for rotating components such as the compressor, appropriate turbomachinery simulations would need to be implemented within the ALE3D structure. The Arnold Engineering Development Center is currently developing a three-dimensional compression system code known as TEACC (Turbine Engine Analysis Compressor Code). TEACC also solves the 3D Euler equations and is intended to simulate dynamic behavior such as inlet distortion, surge or rotating stall. The technology being developed within the TEACC effort provides the necessary turbomachinery simulation for implementation into ALE3D. This paper describes a methodology to combine three-dimensional aerodynamic turbomachinery technology into the existing aerodynamic-structural interaction simulation, ALE3D to obtain the desired aerodynamic and structural integrated simulation for an aeropropulsion system.
Oceanic Trace Gases Numeric Data Packages from the Carbon Dioxide Information Analysis Center (CDIAC)
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
CDIAC products include numeric data packages, publications, trend data, atlases, models, etc. and can be searched for by subject area, keywords, authors, product numbers, time periods, collection sites, spatial references, etc. Most data sets or packages, many with numerous data files, are free to download from CDIAC's ftp area. CDIAC lists the following numeric data packages under the broad heading of Oceanic Trace Gases: Carbon Dioxide, Hydrographic, and Chemical Data Obtained during the R/V Ronald H. Brown Repeat Hydrography Cruise in the Atlantic Ocean: CLIVAR CO2 Section A16S_2005 ( 01/11/05 - 022405) � Determination of Carbon Dioxide, Hydrographic, and Chemical Parameters during the R/V Nathaniel B. Palmer Cruise in the Southern Indian Ocean (WOCE Section S04I, 050396 - 070496) � Inorganic Carbon, Nutrient, and Oxygen Data from the R/V Ronald H. Brown Repeat Hydrography Cruise in the Atlantic Ocean: CLIVAR CO2 Section A16N_2003a (060403 � 081103) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Maurice Ewing Cruise in the Atlantic Ocean (WOCE Section A17, 010494 - 032194) � Global Ocean Data Analysis Project GLODAP: Results and Data � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Knorr Cruises in the North Atlantic Ocean on WOCE Sections AR24 (1102 � 120596) and A24, A20, and A22 (053097 � 090397) � Carbon Dioxide, Hydrographic and Chemical Data Obtained During the Nine R/V Knorr Cruises Comprising the Indian Ocean CO2 Survey (WOCE Sections I8SI9S, I9N, I8NI5E, I3, I5WI4, I7N, I1, I10, and I2; 120 194 � 012296) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Meteor Cruise 28/1 in the South Atlantic Ocean (WOCE Section A8, 032994 - 051294) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Knorr Cruise 138-3, -4, and -5 in the South Pacific Ocean (WOCE Sections P6E, P6C, and P6W, 050292 - 073092) � Global Distribution of Total Inorganic Carbon and Total Alkalinity below the deepest winter mixed layer depths � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V John V. Vickers Cruise in the Pacific Ocean (WOCE Section P13, NOAA CGC92 Cruise, 080492 � 102192) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Hesperides Cruise in the Atlantic Ocean (WOCE Section A5, 071492 - 081592) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Thomas G. Thompson Cruise in the Pacific Ocean (WOCE Section P10, 100593 � 111093) � The International Intercomparison Exercise of Underway fCO2 Systems during the R/V Meteor Cruise 36/1 in the North Atlantic Ocean � Carbon Dioxide, Hydrographic, and Chemical Data Obtained during the R/V Meteor Cruise 22/5 in the South Atlantic Ocean (WOCE Section A10, Dec. 1992-Jan, 1993) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained in the South Pacific Ocean (WOCE Sections P16A/P17A, P17E/P19S, and P19C, R/V Knorr , Oct. 1992-April 1993) � Surface Water and Atmospheric Underway Carbon Data Obtained During the World Ocean Circulation Experiment Indian Ocean Survey Cruises (R/V Knorr, Dec. 1994 � Jan, 1996) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Akademik Ioffe Cruise in the South Pacific Ocean (WOCE Section S4P, Feb.-April 1992) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Thomas Washington Cruise TUNES-1 in the Equatorial Pacific Ocean (WOCE section P17C) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Thomas Washington Cruise TUNES-3 in the Equatorial Pacific Ocean (WOCE section P16C) � Carbon-14 Measurements in Surface Water CO2 from the Atlantic, Indian and Pacific Oceans, 1965-1994 � Carbon Dioxide, Hydrographic, and Chemical Data Obtained During R/V Meteor Cruise 18/1 in the North Atlantic Ocean (WOCE Section A1E) � Carbon Dioxide, Hydrographic, and Chemical Data Obtained in the Central South Pacific Ocean (WOCE Sections P17S and P16S) during the TUNES-2 Expedition of the R/V Th
Oceanic Trace Gases Numeric Data Packages from the Carbon Dioxide Information Analysis Center (CDIAC)
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
CDIAC products include numeric data packages, publications, trend data, atlases, models, etc. and can be searched for by subject area, keywords, authors, product numbers, time periods, collection sites, spatial references, etc. Most data sets or packages, many with numerous data files, are free to download from CDIAC's ftp area. CDIAC lists the following numeric data packages under the broad heading of Oceanic Trace Gases: Carbon Dioxide, Hydrographic, and Chemical Data Obtained during the R/V Ronald H. Brown Repeat Hydrography Cruise in the Atlantic Ocean: CLIVAR CO2 Section A16S_2005 ( 01/11/05 - 022405) • Determination of Carbon Dioxide, Hydrographic, and Chemical Parameters during the R/V Nathaniel B. Palmer Cruise in the Southern Indian Ocean (WOCE Section S04I, 050396 - 070496) • Inorganic Carbon, Nutrient, and Oxygen Data from the R/V Ronald H. Brown Repeat Hydrography Cruise in the Atlantic Ocean: CLIVAR CO2 Section A16N_2003a (060403 – 081103) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Maurice Ewing Cruise in the Atlantic Ocean (WOCE Section A17, 010494 - 032194) • Global Ocean Data Analysis Project GLODAP: Results and Data • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Knorr Cruises in the North Atlantic Ocean on WOCE Sections AR24 (1102 – 120596) and A24, A20, and A22 (053097 – 090397) • Carbon Dioxide, Hydrographic and Chemical Data Obtained During the Nine R/V Knorr Cruises Comprising the Indian Ocean CO2 Survey (WOCE Sections I8SI9S, I9N, I8NI5E, I3, I5WI4, I7N, I1, I10, and I2; 120 194 – 012296) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Meteor Cruise 28/1 in the South Atlantic Ocean (WOCE Section A8, 032994 - 051294) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Knorr Cruise 138-3, -4, and -5 in the South Pacific Ocean (WOCE Sections P6E, P6C, and P6W, 050292 - 073092) • Global Distribution of Total Inorganic Carbon and Total Alkalinity below the deepest winter mixed layer depths • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V John V. Vickers Cruise in the Pacific Ocean (WOCE Section P13, NOAA CGC92 Cruise, 080492 – 102192) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Hesperides Cruise in the Atlantic Ocean (WOCE Section A5, 071492 - 081592) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Thomas G. Thompson Cruise in the Pacific Ocean (WOCE Section P10, 100593 – 111093) • The International Intercomparison Exercise of Underway fCO2 Systems during the R/V Meteor Cruise 36/1 in the North Atlantic Ocean • Carbon Dioxide, Hydrographic, and Chemical Data Obtained during the R/V Meteor Cruise 22/5 in the South Atlantic Ocean (WOCE Section A10, Dec. 1992-Jan, 1993) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained in the South Pacific Ocean (WOCE Sections P16A/P17A, P17E/P19S, and P19C, R/V Knorr , Oct. 1992-April 1993) • Surface Water and Atmospheric Underway Carbon Data Obtained During the World Ocean Circulation Experiment Indian Ocean Survey Cruises (R/V Knorr, Dec. 1994 – Jan, 1996) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Akademik Ioffe Cruise in the South Pacific Ocean (WOCE Section S4P, Feb.-April 1992) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Thomas Washington Cruise TUNES-1 in the Equatorial Pacific Ocean (WOCE section P17C) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Thomas Washington Cruise TUNES-3 in the Equatorial Pacific Ocean (WOCE section P16C) • Carbon-14 Measurements in Surface Water CO2 from the Atlantic, Indian and Pacific Oceans, 1965-1994 • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During R/V Meteor Cruise 18/1 in the North Atlantic Ocean (WOCE Section A1E) • Carbon Dioxide, Hydrographic, and Chemical Data Obtained in the Central South Pacific Ocean (WOCE Sections P17S and P16S) during the TUNES-2 Expedition of the R/V Thomas Washington, July-August, 1991 • Total Carbon Dioxide, Hydrographic, and Nitrate Measurements in the Southwest Pacific during Austral Autumn, 1990: Results from NOAA/PMEL CGC-90 Cruise • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Meteor Cruise 15/3 in the South Atlantic Ocean (WOCE Section A9, February March 1991) • Carbon Dioxide Concentrations in Surface Water and the Atmosphere During 1986-1989 NOAA/PMEL Cruises in the Pacific and Indian Oceans • Carbon Dioxide, Hydrographic, and Chemical Data Obtained During the R/V Meteor Cruise 11/5 in the South Atlantic and Northern Weddell Sea Areas (WOCE sections A-12 and A-21) • Surface Water and Atmospheric Carbon Dioxide and Nitrous Oxide Observations by Shipboard Automated Gas Chromatography: Results from Expeditions Between 1977 and 1990 • Indian Ocean Radiocarbon: Data from the INDIGO 1, 2, and 3 Cruises • Carbonate Chemistry of the North Pacific Ocean • Carbonate Chemistry of the Weddell Sea • GEOSECS Atlantic, Pacific, Indian, and Mediterranean Radiocarbon Data •\tTransient Tracers in the Oceans (TTO) - Hydrographic Data and Carbon Dioxide Systems with Revised Carbon Chemistry Data.
Numerical solution of the time dependent Ginzburg-Landau equations for mixed (d + s)-wave superconductors
Gon�alves, W. C.; Sardella, E.; UNESP-Universidade Estadual Paulista, IPMet-Instituto de Pesquisas Meteorol�gicas, CEP 17048-699 Bauru, SP ; Becerra, V. F.; Milo�evi?, M. V.; Peeters, F. M.; Departamento de F�sica, Universidade Federal do Cear�, 60455-900 Fortaleza, Cear�
The time-dependent Ginzburg-Landau formalism for (d + s)-wave superconductors and their representation using auxiliary fields is investigated. By using the link variable method, we then develop suitable discretization of these equations. Numerical simulations are carried out for a mesoscopic superconductor in a homogeneous perpendicular magnetic field which revealed peculiar vortex states.
Sodium-Water Reaction and Thermal Hydraulics at Gas-Liquid Interface: Numerical Interpretation of Experimental Observations
Yamaguchi, Akira; Takata, Takashi; Ohshima, Hiroyuki; Suda, Kazunori
In a sodium-cooled fast reactor development, coupled phenomena of thermal-hydraulics and chemical reaction of sodium and water vapor are of importance from the safety viewpoint. However, the sodium-water reaction (SWR) phenomena are generally complex and the experimental measurement technology is not well matured. Therefore, a numerical simulation is used for the investigation of the SWR. In this paper, a new computer program has been developed and the SWR in a counter-flow diffusion flame is studied by a numerical simulations and an experiment as well. In the computer program, Navier-Stokes equations and chemical reaction equations are solved interactively. In addition, a dynamic equation of airborne particulates is coupled with the governing equations of thermal hydraulics. A source of the particulates is the chemical reaction products, i.e. sodium hydroxide and sodium oxide. The SWR experiment is decided based on the numerical simulation. To obtain a stable reaction flame and to measure the temperature and reaction product distributions, the flow field in the experimental cell needs to be optimized. The numerical simulation is useful for designing experiments of complex phenomena and for obtaining the data. The computations are compared with experimental data. It has been demonstrated that the computational fluid dynamics code coupled with chemical reaction well predict the SWR. (authors)
RELAP-7 Software Verification and Validation Plan: Requirements Traceability Matrix (RTM) Part 1 – Physics and numerical methods
Choi, Yong Joon; Yoo, Jun Soo; Smith, Curtis Lee
This INL plan comprehensively describes the Requirements Traceability Matrix (RTM) on main physics and numerical method of the RELAP-7. The plan also describes the testing-based software verification and validation (SV&V) process—a set of specially designed software models used to test RELAP-7.
Geology of the Waste Treatment Plant Seismic Boreholes
Barnett, D. Brent; Fecht, Karl R.; Reidel, Stephen P.; Bjornstad, Bruce N.; Lanigan, David C.; Rust, Colleen F.
In 2006, the U.S. Department of Energy initiated the Seismic Boreholes Project (SBP) to emplace boreholes at the Waste Treatment Plant (WTP) site in order to obtain direct shear wave velocity (Vs) measurements and other physical property measurements in Columbia River basalt and interbedded sediments of the Ellensburg Formation. The goal was to reduce the uncertainty in the response spectra and seismic design basis, and potentially recover design margin for the WTP. The characterization effort within the deep boreholes included 1) downhole measurements of the velocity properties of the suprabasalt, basalt, and sedimentary interbed sequences, 2) downhole measurements of the density of the subsurface basalt and sediments, and 3) geologic studies to confirm the geometry of the contact between the various basalt and interbedded sediments through examination of retrieved core from the core hole and data collected through geophysical logging of each borehole. This report describes the results of the geologic studies from three mud-rotary boreholes and one cored borehole at the WTP. All four boreholes penetrated the entire Saddle Mountains Basalt and the upper part of the Wanapum Basalt where thick sedimentary interbeds occur between the lava flows. The basalt flows penetrated in Saddle Mountains Basalt included the Umatilla Member, Esquatzel Member, Pomona Member, and the Elephant Mountain Member. The underlying Priest Rapids Member of the Wanapum Basalt also was penetrated. The Ellensburg Formation sediments consist of the Mabton Interbed, the Cold Creek Interbed, the Selah Interbed, and the Rattlesnake Ridge Interbed; the Byron Interbed occurs between two flows of the Priest Rapids Member. The Mabton Interbed marks the contact between the Wanapum and Saddle Mountains Basalts. The thicknesses of the basalts and interbedded sediments were within expected limits. However, a small reverse fault was found in the Pomona Member flow top. This fault has three periods of movement and less than 15 ft of repeated section. Most of the movement on the fault appears to have occurred before the youngest lava flow, the 10.5-million-year-old Elephant Mountain Member, was emplaced above the Pomona Member.
Direct Numerical Simulation of Pore-Scale Flow in a Bead Pack: Comparison with Magnetic Resonance Imaging Observations
Yang, Xiaofan; Scheibe, Timothy D.; Richmond, Marshall C.; Perkins, William A.; Vogt, Sarah J.; Codd, Sarah L.; Seymour, Joseph D.; Mckinley, Matthew I.
A significant body of current research is aimed at developing methods for numerical simulation of flow and transport in porous media that explicitly resolve complex pore and solid geometries, and at utilizing such models to study the relationships between fundamental pore-scale processes and macroscopic manifestations at larger (i.e., Darcy) scales. A number of different numerical methods for pore-scale simulation have been developed, and have been extensively tested and validated for simplified geometries. However, validation of pore-scale simulations of fluid velocity for complex, three-dimensional (3D) pore geometries that are representative of natural porous media is challenging due to our limited ability to measure pore-scale velocity in such systems. Recent advances in magnetic resonance imaging (MRI) offer the opportunity to measure not only the pore geometry, but also local fluid velocities under steady-state flow conditions in 3D and with high spatial resolution. In this paper, we present a 3D velocity field measured at sub-pore resolution (tens of micrometers) over a centimeter-scale 3D domain using MRI methods. We have utilized the measured pore geometry to perform 3D simulations of Navier-Stokes flow over the same domain using direct numerical simulation techniques. We present a comparison of the numerical simulation results with the measured velocity field. It is shown that the numerical results match the observed velocity patterns well overall except for a variance and small systematic scaling which can be attributed to the known experimental error in the MRI measurements. The comparisons presented here provide strong validation of the pore-scale simulation methods and new insights for interpretation of uncertainty in MRI measurements of pore-scale velocity. This study also provides a potential benchmark for future comparison of other pore-scale simulation methods.
Direct Numerical Simulation of Interfacial Flows: Implicit Sharp-Interface Method (I-SIM)
Robert Nourgaliev; Theo Theofanous; HyeongKae Park; Vincent Mousseau; Dana Knoll
In recent work (Nourgaliev, Liou, Theofanous, JCP in press) we demonstrated that numerical simulations of interfacial flows in the presence of strong shear must be cast in dynamically sharp terms (sharp interface treatment or SIM), and that moreover they must meet stringent resolution requirements (i.e., resolving the critical layer). The present work is an outgrowth of that work aiming to overcome consequent limitations on the temporal treatment, which become still more severe in the presence of phase change. The key is to avoid operator splitting between interface motion, fluid convection, viscous/heat diffusion and reactions; instead treating all these non-linear operators fully-coupled within a Newton iteration scheme. To this end, the SIM�s cut-cell meshing is combined with the high-orderaccurate implicit Runge-Kutta and the �recovery� Discontinuous Galerkin methods along with a Jacobian-free, Krylov subspace iteration algorithm and its physics-based preconditioning. In particular, the interfacial geometry (i.e., marker�s positions and volumes of cut cells) is a part of the Newton-Krylov solution vector, so that the interface dynamics and fluid motions are fully-(non-linearly)-coupled. We show that our method is: (a) robust (L-stable) and efficient, allowing to step over stability time steps at will while maintaining high-(up to the 5th)-order temporal accuracy; (b) fully conservative, even near multimaterial contacts, without any adverse consequences (pressure/velocity oscillations); and (c) highorder-accurate in spatial discretization (demonstrated here up to the 12th-order for smoothin-the-bulk-fluid flows), capturing interfacial jumps sharply, within one cell. Performance is illustrated with a variety of test problems, including low-Mach-number �manufactured� solutions, shock dynamics/tracking with slow dynamic time scales, and multi-fluid, highspeed shock-tube problems. We briefly discuss preconditioning, and we introduce two physics-based preconditioners � �Block-Diagonal� and �Internal energy-Pressure-Velocity Partially Decoupled�, demonstrating the ability to efficiently solve all-speed flows with strong effects from viscous dissipation and heat conduction.
Numerical and Experimental Study of Mixing Processes Associated with Hydrogen and High Hydrogen Content Fuels
McDonell, Vincent; Hill, Scott; Akbari, Amin; McDonell, Vincent
As simulation capability improves exponentially with increasingly more cost effective CPUs and hardware, it can be used ?routinely? for engineering applications. Many commercial products are available and they are marketed as increasingly powerful and easy to use. The question remains as to the overall accuracy of results obtained. To support the validation of the CFD, a hierarchical experiment was established in which the type of fuel injection (radial, axial) as well as level of swirl (non-swirling, swirling) could be systematically varied. The effort was limited to time efficient approaches (i.e., generally RANS approaches) although limited assessment of time resolved methods (i.e., unsteady RANS and LES) were considered. Careful measurements of the flowfield velocity and fuel concentration were made using both intrusive and non-intrusive methods. This database was then used as the basis for the assessment of the CFD approach. The numerical studies were carried out with a statistically based matrix. As a result, the effect of turbulence model, fuel type, axial plane, turbulent Schmidt number, and injection type could be studied using analysis of variance. The results for the non-swirling cases could be analyzed as planned, and demonstrate that turbulence model selection, turbulence Schmidt number, and the type of injection will strongly influence the agreement with measured values. Interestingly, the type of fuel used (either hydrogen or methane) has no influence on the accuracy of the simulations. For axial injection, the selection of proper turbulence Schmidt number is important, whereas for radial injection, the results are relatively insensitive to this parameter. In general, it was found that the nature of the flowfield influences the performance of the predictions. This result implies that it is difficult to establish a priori the ?best? simulation approach to use. However, the insights from the relative orientation of the jet and flow do offer some guidance for which approach to take. Overall, the results underscore the importance of model ?anchoring? (i.e., ?tuning? the model to provide ?reasonable? agreement with a well characterized geometry/flow). Finally, the results obtained have been carefully compiled into a standalone database following a standard format that is contained in an Appendix. This database is thus available for use by others for CFD modeling evaluations.
Numerical analysis of laser-driven reservoir dynamics for shockless loading
Li Mu; Zhang Hongping; Sun Chengwei; Zhao Jianheng; Yuan Hong
Laser-driven plasma loader for shockless compression provides a new approach to study the rapid compression response of materials not attainable in conventional shock experiments. In this method, the strain rate is varied from {approx}10{sup 6}/s to {approx}10{sup 8}/s, significantly higher than other shockless compression methods. Thus, this loading process is attractive in the research of solid material dynamics and astrophysics. The objective of the current study is to demonstrate the dynamic properties of the jet from the rear surface of the reservoir, and how important parameters such as peak load, rise time, shockless compression depth, and stagnating melt depth in the sample vary with laser intensity, laser pulse length, reservoir thickness, vacuum gap size, and even the sample material. Numerical simulations based on the space-time conservation element and solution element method, together with the bulk ablation model, were used. The dynamics of the reservoir depend on the laser intensity, pulse length, equation of state, as well as the molecular structure of the reservoir. The critical pressure condition at which the reservoir will unload, similar to a gas or weak plasma, is 40-80 GPa before expansion. The momentum distribution bulges downward near the front of the plasma jet, which is an important characteristic that determines shockless compression. The total energy density is the most important parameter, and has great influence on the jet characteristics, and consequently on the shockless compression characteristics. If the reservoir is of a single material irradiated at a given laser condition, the relation of peak load and shockless compression depth is in conflict, and the highest loads correspond to the smallest thickness of sample. The temperature of jet front runs up several electron volts after impacting on the sample, and the heat transfer between the stagnating plasma and the sample is sufficiently significant to induce the melting of the sample surface. However, this diffusion heat wave propagates much more slowly than the stress wave, and has minimal effect on the shockless compression progress at a deeper position.
Okuzumi, Satoshi; Sakagami, Masa-aki [Graduate School of Human and Environmental Studies, Kyoto University, Yoshida-nihonmatsu-cho, Sakyo-ku, Kyoto 606-8501 (Japan); Tanaka, Hidekazu, E-mail: firstname.lastname@example.com [Institute of Low Temperature Science, Hokkaido University, Sapporo 060-0819 (Japan)
Porosity evolution of dust aggregates is crucial in understanding dust evolution in protoplanetary disks. In this study, we present useful tools to study the coagulation and porosity evolution of dust aggregates. First, we present a new numerical method for simulating dust coagulation and porosity evolution as an extension of the conventional Smoluchowski equation. This method follows the evolution of the mean porosity for each aggregate mass simultaneously with the evolution of the mass distribution function. This method reproduces the results of previous Monte Carlo simulations with much less computational expense. Second, we propose a new collision model for porous dust aggregates on the basis of our N-body experiments on aggregate collisions. As the first step, we focus on 'hit-and-stick' collisions, which involve neither compression nor fragmentation of aggregates. We first obtain empirical data on porosity changes between the classical limits of ballistic cluster-cluster and particle-cluster aggregation. Using the data, we construct a recipe for the porosity change due to general hit-and-stick collisions as well as formulae for the aerodynamical and collisional cross sections. Our collision model is thus more realistic than a previous model of Ormel et al. based on the classical aggregation limits only. Simple coagulation simulations using the extended Smoluchowski method show that our collision model explains the fractal dimensions of porous aggregates observed in a full N-body simulation and a laboratory experiment. By contrast, similar simulations using the collision model of Ormel et al. result in much less porous aggregates, meaning that this model underestimates the porosity increase upon unequal-sized collisions. Besides, we discover that aggregates at the high-mass end of the distribution can have a considerably small aerodynamical cross section per unit mass compared with aggregates of lower masses. This occurs when aggregates drift under uniform acceleration (e.g., gravity) and their collision is induced by the difference in their terminal velocities. We point out an important implication of this discovery for dust growth in protoplanetary disks.
Numerical analysis of radio-frequency sheath-plasma interactions in the ion cyclotron range of frequencies
Kohno, H.; Myra, J. R.; D'Ippolito, D. A.
A new finite element numerical scheme for analyzing self-consistent radio-frequency (RF) sheath-plasma interaction problems in the ion cyclotron range of frequencies is applied to various problems represented by simplified models for the tokamak scrape-off layer. The present code incorporates a modified boundary condition, which is called a sheath boundary condition, that couples the radio-frequency waves and sheaths at the material boundaries by treating the sheath as a thin vacuum layer. A series of numerical analyses in one- and two-dimensional domains show several important physical properties, such as the existence of multiple roots, hysteresis effects, presence and characteristics of the sheath-plasma waves, and the phase shift of a reflected slow wave, some of which are newly identified by introducing a spatially varying plasma density and background magnetic field.
The Effect of Gas Absorption on the Scattered Radiation in the Solar Almucantar: Results of Numerical Simulation
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Gas Absorption on the Scattered Radiation in the Solar Almucantar: Results of Numerical Simulation T. Yu. Chesnokova, K. M. Firsov, I. M. Nasrtdinov, S. M. Sakerin, V. V. Veretennikov, and T. B. Zhuravleva Institute of Atmospheric Optics Tomsk, Russia Introduction The methods for reconstruction of the aerosol optical characteristics (e.g., aerosol size distribution, and single-scattering albedo) from diffuse and direct radiation measured in the solar almucantar has been widely used during the
A method for the direct numerical simulation of hypersonic boundary-layer instability with finite-rate chemistry
Marxen, Olaf, E-mail: firstname.lastname@example.com [Center for Turbulence Research, Building 500, Stanford University, Stanford, CA 94305-3035 (United States) [Center for Turbulence Research, Building 500, Stanford University, Stanford, CA 94305-3035 (United States); Aeronautics and Aerospace Department, von Karman Institute for Fluid Dynamics, Chauss�e de Waterloo, 72, 1640 Rhode-St-Gen�se (Belgium); Magin, Thierry E. [Aeronautics and Aerospace Department, von Karman Institute for Fluid Dynamics, Chauss�e de Waterloo, 72, 1640 Rhode-St-Gen�se (Belgium)] [Aeronautics and Aerospace Department, von Karman Institute for Fluid Dynamics, Chauss�e de Waterloo, 72, 1640 Rhode-St-Gen�se (Belgium); Shaqfeh, Eric S.G.; Iaccarino, Gianluca [Center for Turbulence Research, Building 500, Stanford University, Stanford, CA 94305-3035 (United States)] [Center for Turbulence Research, Building 500, Stanford University, Stanford, CA 94305-3035 (United States)
A new numerical method is presented here that allows to consider chemically reacting gases during the direct numerical simulation of a hypersonic fluid flow. The method comprises the direct coupling of a solver for the fluid mechanical model and a library providing the physio-chemical model. The numerical method for the fluid mechanical model integrates the compressible Navier�Stokes equations using an explicit time advancement scheme and high-order finite differences. This Navier�Stokes code can be applied to the investigation of laminar-turbulent transition and boundary-layer instability. The numerical method for the physio-chemical model provides thermodynamic and transport properties for different gases as well as chemical production rates, while here we exclusively consider a five species air mixture. The new method is verified for a number of test cases at Mach 10, including the one-dimensional high-temperature flow downstream of a normal shock, a hypersonic chemical reacting boundary layer in local thermodynamic equilibrium and a hypersonic reacting boundary layer with finite-rate chemistry. We are able to confirm that the diffusion flux plays an important role for a high-temperature boundary layer in local thermodynamic equilibrium. Moreover, we demonstrate that the flow for a case previously considered as a benchmark for the investigation of non-equilibrium chemistry can be regarded as frozen. Finally, the new method is applied to investigate the effect of finite-rate chemistry on boundary layer instability by considering the downstream evolution of a small-amplitude wave and comparing results with those obtained for a frozen gas as well as a gas in local thermodynamic equilibrium.
Effects of Localized Energy Extraction in an Idealized, Energetically Complete Numerical Model of an Ocean-Estuary Tidal System
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
localized energy extraction in an idealized, energetically complete numerical model of an ocean-estuary tidal system MHK Instrumentation, Measurement & Computer Modeling Workshop, Broomfield CO, July 10 2012 Mitsuhiro Kawase and Marisa Gedney Northwest National Marine Renewable Energy Center / School of Oceanography University of Washington Seattle WA 98195 United States * Far-field (Estuary-wide) - Changes in the tidal range - Changes in tidal currents Near-field (Vicinity of the
Quantum chaos and statistical properties of energy levels: Numerical study of the hydrogen atom in a magnetic field
Delande, D.; Gay, J.C.
The transition to chaos in ''the hydrogen atom in a magnetic field'' is numerically studied and shown to lead to well-defined signature on the energy-level fluctuations. Upon an increase in the energy, the calculated statistics evolve from Poisson to Gaussian orthogonal ensemble according to the regular or chaotic character of the classical motion. Several methods are employed to test the generic nature of these distributions.
A comparison of experimental and numerical results on convective thermal mixing of three vertical, quasi-planar jets
Tokuhiro, A.T.; Kimura, N.; Nishimura, M.; Kobayashi, J.; Miyakoshi, H.
The thermal-hydraulic mixing of three quasi-planar vertical water jets was experimentally and numerically investigated. The central jet was initially 5 C lower in temperature than the other two. The hydraulic diameter and average exit velocity-based Reynolds and Richardson numbers were, Re{sub D} = 2 x 10{sup 4}, Ri{sub D} = 0.002. Besides temperature measurements from a traversing array of 37 thermocouples, velocity measurements were made using laser and ultrasound Doppler velocimetries (LDV and UDV). In parallel the in-house code, CASCADE, featuring a {kappa}-{epsilon} turbulence model was used to simulate the experimental flow configuration. A comparison of the experimental and numerical results showed that code validation by LDV/UDV was possible and in particular that time-averaged field and frequency characteristics of transversely swaying jets, even under Reynolds averaging of the conservation equations, could be simulated. A representative comparison of the amplitude of oscillation is shown in Figure A-1 with an inset of the visualized flow and sample time-series of the temperature fluctuations at the position indicated. The difference in the predominant frequency, the numerically predicted {approximately}1.6 Hz versus the experimental {approximately}2.25 Hz, is attributed to the turbulence model that overestimate thus effective fluid viscosity. Development of an accurate numerical simulation is of relevance to the design of the liquid metal fast breeder reactor (LMFBR), where the lack of mixing of the cold sodium may initiate thermal striping; that is, poorly mixed hot and cold streams may thermally stress the components onto which they impinge. Turbulent mixing of jets is equally of general interest to environmental and material processing flows.
A numerical investigation of transonic axial compressor rotor flow using a low-Reynolds-number {kappa}-{epsilon} turbulence model
Arima, T.; Sonoda, T.; Shirotori, M.; Tamura, A.; Kikuchi, K.
The authors have developed a computer simulation code for three-dimensional viscous flow in turbomachinery based on the time-averaged compressible Navier-Stokes equations and a low-Reynolds-number {kappa}-{epsilon} turbulence model. It is described in detail in this paper. The code is used to compute the flow fields for two types of rotor (a transonic fan NASA Rotor 67 and a transonic axial compressor NASA rotor 37), and numerical results are compared to experimental data based on aerodynamic probe and laser anemometer measurements. In the case of Rotor 67, calculated and experimental results are compared under the design speed to validate the code. The calculated results show good agreement with the experimental data, such as the rotor performance map and the spanwise distribution of total pressure, total temperature, and flow angle downstream of the rotor. In the case of Rotor 37, detailed comparisons between the numerical results and the experimental data are made under the design speed condition to assess the overall quality of the numerical solution. Furthermore, comparisons under the part-speed condition are used to investigate a flow field without passage shock. The results are well predicted qualitatively. However, considerable quantitative discrepancies remain in predicting the flow near the tip. In order to assess the predictive capabilities of the developed code, computed flow structures are presented with the experimental data for each rotor and the cause of the discrepancies is discussed.
Numerical calculation of protein-ligand binding rates through solution of the Smoluchowski equation using smoothed particle hydrodynamics
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Pan, Wenxiao; Daily, Michael; Baker, Nathan A.
Background: The calculation of diffusion-controlled ligand binding rates is important for understanding enzyme mechanisms as well as designing enzyme inhibitors. Methods: We demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) BC, is considered on the reactive boundaries. This new BC treatment allows for the analysis of enzymes with "imperfect" reaction rates. Results: The numerical method is first verified in simple systems and thenmore » applied to the calculation of ligand binding to a mouse acetylcholinesterase (mAChE) monomer. Rates for inhibitor binding to mAChE are calculated at various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates. Conclusions: Although this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.« less
Numerical study of effect of secondary electron emission on discharge characteristics in low pressure capacitive RF argon discharge
Liu, Qian; Liu, Yue, E-mail: email@example.com; Samir, Tagra; Ma, Zhaoshuai [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China)
Based on the drift and diffusion approximation theory, a 1D fluid model on capacitively coupled RF argon glow discharge at low pressure is established to study the effect of secondary electron emission (SEE) on the discharge characteristics. The model is numerically solved by using a finite difference method and the numerical results are obtained. The numerical results indicate that when the SEE coefficient is larger, the plasma density is higher and the time of reaching steady state is longer. It is also found that the cycle-averaged electric field, electric potential, and electron temperature change a little as the SEE coefficient is increased. Moreover, the discharge characteristics in some nonequilibrium discharge processes with different SEE coefficients have been compared. The analysis shows that when the SEE coefficient is varied from 0.01 to 0.3, the cycle-averaged electron net power absorption, electron heating rate, thermal convective term, electron energy dissipation, and ionization all have different degrees of growth. While the electron energy dissipation and ionization are quite special, there appear two peaks near each sheath region in the discharge with a relatively larger SEE coefficient. In this case, the discharge is certainly operated in a hybrid ?-?-mode.
Numerical calculation of protein-ligand binding rates through solution of the Smoluchowski equation using smooth particle hydrodynamics
Pan, Wenxiao; Daily, Michael D.; Baker, Nathan A.
We demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. The numerical method is first verified in simple systems and then applied to the calculation of ligand binding to an acetylcholinesterase monomer. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) boundary condition, is considered on the reactive boundaries. This new boundary condition treatment allows for the analysis of enzymes with "imperfect" reaction rates. Rates for inhibitor binding to mAChE are calculated at various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates. Although this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.
Low-cost phase change material as an energy storage medium in building envelopes: Experimental and numerical analyses
Biswas, Kaushik; Abhari, Mr. Ramin
A promising approach to increasing the energy efficiency of buildings is the implementation of a phase change material (PCM) in the building envelope. Numerous studies over the last two decades have reported the energy saving potential of PCMs in building envelopes, but their wide application has been inhibited, in part, by their high cost. This article describes a novel PCM made of naturally occurring fatty acids/glycerides trapped into high density polyethylene (HDPE) pellets and its performance in a building envelope application. The PCM-HDPE pellets were mixed with cellulose insulation and then added to an exterior wall of a test building in a hot and humid climate, and tested over a period of several months, To demonstrate the efficacy of the PCM-enhanced cellulose insulation in reducing the building envelope heat gains and losses, side-by-side comparison was performed with another wall section filled with cellulose-only insulation. Further, numerical modeling of the test wall was performed to determine the actual impact of the PCM-HDPE pellets on wall-generated heating and cooling loads and the associated electricity consumption. The model was first validated using experimental data and then used for annual simulations using typical meteorological year (TMY3) weather data. This article presents the experimental data and numerical analyses showing the energy-saving potential of the new PCM.
Numerical calculation of protein-ligand binding rates through solution of the Smoluchowski equation using smoothed particle hydrodynamics
Pan, Wenxiao; Daily, Michael; Baker, Nathan A.
Background: The calculation of diffusion-controlled ligand binding rates is important for understanding enzyme mechanisms as well as designing enzyme inhibitors. Methods: We demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) BC, is considered on the reactive boundaries. This new BC treatment allows for the analysis of enzymes with �imperfect� reaction rates. Results: The numerical method is first verified in simple systems and then applied to the calculation of ligand binding to a mouse acetylcholinesterase (mAChE) monomer. Rates for inhibitor binding to mAChE are calculated at various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates. Conclusions: Although this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.
A Numerical Model Without Truncation Error for a Steady-State Analysis of a Once-Through Steam Generator
Sim, Yoon Sub; Kim, Eui Kwang; Eoh, Jae Hyuk [Korea Atomic Energy Research Institute (Korea, Republic of)
To overcome the drawbacks of conventional schemes for a numerical analysis of a steam generator (SG), an efficient numerical model has been developed to analyze the steady state of a once-through-type SG where the feedwater is heated to superheated steam. In the developed model, the temperature and enthalpy are defined at the boundary of a calculation cell, and the exact solutions for the temperature distribution in a calculation cell are utilized. This feature of the developed model frees calculation from the undesirable effects of numerical diffusion, and only a small number of nodes are required. Also, the developed model removes the ambiguity from the parameter values at the inlet and exit of a calculation.The BoSupSG-SS computer code was developed by using the analysis model, and it performed well with only three calculation nodes to analyze a superheated SG. The developed model can be effectively used for the cases where a fast one-dimensional calculation is required such as an SG or system design analysis.
Low-cost phase change material as an energy storage medium in building envelopes: Experimental and numerical analyses
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Biswas, Kaushik; Abhari, Mr. Ramin
A promising approach to increasing the energy efficiency of buildings is the implementation of a phase change material (PCM) in the building envelope. Numerous studies over the last two decades have reported the energy saving potential of PCMs in building envelopes, but their wide application has been inhibited, in part, by their high cost. This article describes a novel PCM made of naturally occurring fatty acids/glycerides trapped into high density polyethylene (HDPE) pellets and its performance in a building envelope application. The PCM-HDPE pellets were mixed with cellulose insulation and then added to an exterior wall of a test buildingmore » in a hot and humid climate, and tested over a period of several months, To demonstrate the efficacy of the PCM-enhanced cellulose insulation in reducing the building envelope heat gains and losses, side-by-side comparison was performed with another wall section filled with cellulose-only insulation. Further, numerical modeling of the test wall was performed to determine the actual impact of the PCM-HDPE pellets on wall-generated heating and cooling loads and the associated electricity consumption. The model was first validated using experimental data and then used for annual simulations using typical meteorological year (TMY3) weather data. This article presents the experimental data and numerical analyses showing the energy-saving potential of the new PCM.« less
Completion Report for Model Evaluation Well ER-5-5: Corrective Action Unit 98: Frenchman Flat
NSTec Underground Test Area and Boreholes Programs and Operations
Model Evaluation Well ER-5-5 was drilled for the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office in support of Nevada Environmental Management Operations at the Nevada National Security Site (formerly known as the Nevada Test Site). The well was drilled in July and August 2012 as part of a model evaluation well program in the Frenchman Flat area of Nye County, Nevada. The primary purpose of the well was to provide detailed geologic, hydrogeologic, chemical, and radiological data that can be used to test and build confidence in the applicability of the Frenchman Flat Corrective Action Unit flow and transport models for their intended purpose. In particular, this well was designed to obtain data to evaluate the uncertainty in model forecasts of contaminant migration from the upgradient underground nuclear test MILK SHAKE, conducted in Emplacement Hole U-5k in 1968, which were considered to be uncertain due to the unknown extent of a basalt lava-flow aquifer present in this area. Well ER-5-5 is expected to provide information to refine the Phase II Frenchman Flat hydrostratigraphic framework model, if necessary, as well as to support future groundwater flow and transport modeling. The 31.1-centimeter (cm) diameter hole was drilled to a total depth of 331.3 meters (m). The completion string, set at the depth of 317.2 m, consists of 16.8-cm stainless-steel casing hanging from 19.4-cm carbon-steel casing. The 16.8-cm stainless-steel casing has one slotted interval open to the basalt lava-flow aquifer and limited intervals of the overlying and underlying alluvial aquifer. A piezometer string was also installed in the annulus between the completion string and the borehole wall. The piezometer is composed of 7.3-cm stainless-steel tubing suspended from 6.0-cm carbon-steel tubing. The piezometer string was landed at 319.2 m, to monitor the basalt lava-flow aquifer. Data collected during and shortly after hole construction include composite drill cuttings samples collected every 3.0 m, various geophysical logs, preliminary water quality measurements, and water-level measurements. The well penetrated 331.3 m of Quaternary–Tertiary alluvium, including an intercalated layer of saturated basalt lava rubble. No well development or hydrologic testing was conducted in this well immediately after completion; however, a preliminary water level was measured in the piezometer string at the depth of 283.4 m on September 25, 2012. No tritium above the minimum detection limit of the field instruments was detected in this hole. Future well development, sampling, and hydrologic testing planned for this well will provide more accurate hydrologic information for this site. The stratigraphy, general lithology, and water level were as expected, though the expected basalt lava-flow aquifer is basalt rubble and not the dense, fractured lava as modeled. The lack of tritium transport is likely due to the difference in hydraulic properties of the basalt lava-flow rubble encountered in the well, compared to those of the fractured aquifer used in the flow and transport models.
Numerical investigation of the flat band Bloch modes in a 2D photonic crystal with Dirac cones
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Zhang, Peng; Fietz, Chris; Tassin, Philippe; Koschny, Thomas; Soukoulis, Costas M.; Institute of Electronic Structure
A numerical method combining complex-k band calculations and absorbing boundary conditions for Bloch waves is presented. We use this method to study photonic crystals with Dirac cones. We demonstrate that the photonic crystal behaves as a zero-index medium when excited at normal incidence, but that the zero-index behavior is lost at oblique incidence due to excitation of modes on the flat band. We also investigate the formation of monomodal and multimodal cavity resonances inside the photonic crystals, and the physical origins of their different line-shape features.
The value of numerical modeling in understanding the complete load/deformation behavior of cohesive-frictional materials
Potyondy, D.O.; Fairhurst, C.E.
The post-peak load/deformation behavior of cohesive-frictional materials is an integral part of the overall response of a specimen to compressive loading. A more comprehensive understanding of the pre- and post-peak behavior is necessary. Recent developments in numerical modeling that allow study of the overall response of a synthetic material containing discrete heterogeneities and discontinuities both at the micro (particle) scale and at the larger scale of jointed rock masses can greatly aid the interpretation and application of laboratory test results on these materials.
Numerical study of mechanical behavior of ceramic composites under compression loading in the framework of movable cellular automaton method
Konovalenko, Igor S. Smolin, Alexey Yu. Konovalenko, Ivan S.; Promakhov, Vladimir V.; Psakhie, Sergey G.
Movable cellular automaton method was used for investigating the mechanical behavior of ceramic composites under uniaxial compression. A 2D numerical model of ceramic composites based on oxides of zirconium and aluminum with different structural parameters was developed using the SEM images of micro-sections of a real composite. The influence of such structural parameters as the geometrical dimensions of layers, inclusions, and their spatial distribution in the sample, the volume content of the composite components and their mechanical properties (as well as the amount of zirconium dioxide that underwent the phase transformation) on the fracture, strength, deformation and dissipative properties was investigated.
Numerical simulation of the electromagnetic decay of the nuclei {sup 152-154-156}Dy with selfconsistent strength functions
Martin, V.; Egido, J.L.; Khoo, T.L.; Lauritsen, T.
The electromagnetic decay of the nuclei {sup 152-154-156}Dy is analyzed using microscopic Hartree-Fock calculations at finite temperature. The theoretical collective transition probabilities are implemented in numerical simulations to produce theoretical espectra. Thermal shape fluctuations are also taken into account. The inclusion of these correlation is crucial in order to understand the main features of the collective E2 spectra of these isotopes at different energies. The theoretical calculations suggest a shape change as responsible for the unusual features of the spectrum of the nucleus {sup 154}Dy at high energy.
Coupling a Mesoscale Numerical Weather Prediction Model with Large-Eddy Simulation for Realistic Wind Plant Aerodynamics Simulations (Poster)
Draxl, C.; Churchfield, M.; Mirocha, J.; Lee, S.; Lundquist, J.; Michalakes, J.; Moriarty, P.; Purkayastha, A.; Sprague, M.; Vanderwende, B.
Wind plant aerodynamics are influenced by a combination of microscale and mesoscale phenomena. Incorporating mesoscale atmospheric forcing (e.g., diurnal cycles and frontal passages) into wind plant simulations can lead to a more accurate representation of microscale flows, aerodynamics, and wind turbine/plant performance. Our goal is to couple a numerical weather prediction model that can represent mesoscale flow [specifically the Weather Research and Forecasting model] with a microscale LES model (OpenFOAM) that can predict microscale turbulence and wake losses.
An investigation of the information propagation and entropy transport aspects of Stirling-machine numerical simulation. Final Report
Goldberg, L.F.
Aspects of the information propagation modeling behavior of integral machine computer simulation programs are investigated in terms of a transmission line. In particular, the effects of pressure-linking and temporal integration algorithms on the amplitude ratio and phase angle predictions are compared against experimental and closed-form analytic data. It is concluded that the discretized, first order conservation balances may not be adequate for modeling information propagation effects at characteristic numbers less than about 24. An entropy transport equation suitable for generalized use in Stirling machine simulation is developed. The equation is evaluated by including it in a simulation of an incompressible oscillating flow apparatus designed to demonstrate the effect of flow oscillations on the enhancement of thermal diffusion. Numerical false diffusion is found to be a major factor inhibiting validation of the simulation predictions with experimental and closed-form analytic data. A generalized false diffusion correction algorithm is developed which allows the numerical results to match their analytic counterparts. Under these conditions, the simulation yields entropy predictions which satisfy Clausius' inequality.
A procedure for the estimation of the numerical uncertainty of CFD calculations based on grid refinement studies
E�a, L.; Hoekstra, M.
This paper offers a procedure for the estimation of the numerical uncertainty of any integral or local flow quantity as a result of a fluid flow computation; the procedure requires solutions on systematically refined grids. The error is estimated with power series expansions as a function of the typical cell size. These expansions, of which four types are used, are fitted to the data in the least-squares sense. The selection of the best error estimate is based on the standard deviation of the fits. The error estimate is converted into an uncertainty with a safety factor that depends on the observed order of grid convergence and on the standard deviation of the fit. For well-behaved data sets, i.e. monotonic convergence with the expected observed order of grid convergence and no scatter in the data, the method reduces to the well known Grid Convergence Index. Examples of application of the procedure are included. - Highlights: � Estimation of the numerical uncertainty of any integral or local flow quantity. � Least squares fits to power series expansions to handle noisy data. � Excellent results obtained for manufactured solutions. � Consistent results obtained for practical CFD calculations. � Reduces to the well known Grid Convergence Index for well-behaved data sets.
Numerical analyses of two-and three-dimensional thermoacoustic convection generated by a transient step in the temperature of one wall
Ozoe, H. ); Sato, N. ); Churchill, S.W. )
This paper reports general two- and three-dimensional models derived and solved numerically for the thermoacoustical convection that is generated in a compressible fluid by rapid heating of one of the vertical enclosing walls.
Theory manual for FAROW version 1.1: A numerical analysis of the Fatigue And Reliability Of Wind turbine components
Because the fatigue lifetime of wind turbine components depends on several factors that are highly variable, a numerical analysis tool called FAROW has been created to cast the problem of component fatigue life in a probabilistic framework. The probabilistic analysis is accomplished using methods of structural reliability (FORM/SORM). While the workings of the FAROW software package are defined in the user's manual, this theory manual outlines the mathematical basis. A deterministic solution for the time to failure is made possible by assuming analytical forms for the basic inputs of wind speed, stress response, and material resistance. Each parameter of the assumed forms for the inputs can be defined to be a random variable. The analytical framework is described and the solution for time to failure is derived.
Experimental and numerical study of mixed convection with flow reversal in coaxial double-duct heat exchangers
Mare, Thierry; Voicu, Ionut; Miriel, Jacques [Laboratoire de Genie Civil et de Genie Mecanique (LGCGM), INSA de Rennes, IUT Saint Malo, 35043 Rennes (France); Galanis, Nicolas [Faculte de genie, Universite de Sherbrooke, Sherbrooke, QC (Canada); Sow, Ousmane [Laboratoire d'Energie Appliquee, Ecole superieure Polytechnique, Dakar (Senegal)
Velocity vectors in a vertical coaxial double-duct heat exchanger for parallel ascending flow of water under conditions of laminar mixed convection have been determined experimentally using the particle image velocimetry technique. The measured velocity distributions for large annular flow rates, resulting in an essentially isothermal environment for the stream in the inner tube, are in very good agreement with corresponding numerical predictions. For flow rates of the same order of magnitude in the inner tube and the annulus, and corresponding temperature differences of about 20 C, experimental observations show that flow reversal occurs simultaneously in both streams over large axial distances for both heating and cooling of the flow in the inner tube. (author)
Numerical investigation of the ion temperature effect in magnetized plasma sheath with two species of positive ions
Shaw, A. K.; Goswami, K. S.; Saikia, B. J. [Centre of Plasma Physics-Institute for Plasma Research, Sonapur-782 402, Guwahati, Kamrup (M) (India); Kar, S. [Institute for Plasma Research, Bhat, Gandhinagar-382 428, Gujarat (India)
The effect of ion temperature, magnitude of magnetic field and its orientation on a magnetized plasma sheath consisting of electrons and two species of positive ions are investigated. Using three-fluid hydrodynamic model and some dimensionless variables, the dimensionless equations are obtained and solved numerically. It is found that with the increase of the ion temperature and magnetic field strength there is a significant change in ion densities and energies in the sheath. It is also noticed that increase of magnetic field angle enhances the ion density near the sheath edge for a constant ion temperature. With increase in ion temperature and magnetic field angle, the lighter ion density near the sheath edge enhances and reverses for the heavier ion species.
Numerical and experimental evaluation of laser forming process for the shape correction in ultra high strength steels
Song, J. H.; Lee, J.; Lee, S.; Kim, E. Z.; Lee, N. K.; Lee, G. A.; Park, S. J.; Chu, A.
In this paper, laser forming characteristics in ultra high strength steel with ultimate strength of 1200MPa are investigated numerically and experimentally. FE simulation is conducted to identify the response related to deformation and characterize the effect of laser power, beam diameter and scanning speed with respect to the bending angle for a square sheet part. The thermo-mechanical behaviors during the straight-line heating process are presented in terms of temperature, stress and strain. An experimental setup including a fiber laser with maximum mean power of 3.0 KW is used in the experiments. From the results in this work, it would be easily adjustment the laser power and the scanning speed by controlling the line energy for a bending operation of CP1180 steel sheets.
Experimental and Numerical Analysis on the Distortion of Parts Made of 20MnCr5 by Hot Metal Forming
Rentsch, Ruediger; Brinksmeier, Ekkard [Stiftung Institut fuer Werkstofftechnik, Badgasteiner Strasse 3, 28359 Bremen (Germany)
For high performance applications, shafts and gears made of 20MnCr5 (AISI 5120) are manufactured in large numbers every year. Inhomogeneities in the material properties, process perturbations and asymmetries in shape and operation setups provide a potential for the distortion of parts, often released by heat treatment. In this contribution experimental results on the distortion of shafts and the dishing of disk-like gear wheel blanks are presented. The numerical analysis of the hot-rolling process allowed to trace a peculiar segregation distribution at the cross-section of the bars back to the casting process, and to identify an asymmetric strain distribution which may be the main cause for shaft distortion. For the dishing of the disks a correlation to the resulting distribution of the material flow was found and, a process perturbation parameter identified which is assumed to be responsible for the observed material flow variation.
Numerical Investigation of a Cascaded Longitudinal Space-Charge Amplifier at the Fermilab's Advanced Superconducting Test Accelerator
Halavanau, A.; Piot, P.
In a cascaded longitudinal space-charge amplifier (LSCA), initial density noise in a relativistic e-beam is amplified via the interplay of longitudinal space charge forces and properly located dispersive sections. This type of amplification process was shown to potentially result in large final density modulations [1] compatible with the production of broadband electromagnetic radiation. The technique was recently demonstrated in the optical domain [2]. In this paper we investigate, via numerical simulations, the performances of a cascaded LSCA beamline at the Fermilab's Advanced Superconducting Test Accelerator (ASTA). We especially explore the properties of the produced broadband radiation. Our studies have been conducted with a grid-less three-dimensional space-charge algorithm.
One-dimensional numerical fluid dynamics model of the spreading of liquefied gaseous fuel (LGF) on water
Stein, W.; Ermak, D.L.
A computer model has been developed to simulate the spreading of an evaporating liquefied gaseous fuel that has been spilled on the surface of a denser liquid. This would correspond, for example, to the spreading of liquefied natural gas spilled onto water. The model is based on the one-dimensional, time-dependent equations of conservation of mass and momentum, with the assumption that the pool of liquid fuel spreads in a radially symmetric manner. It includes the effects of vaporization, shear at the fuel-liquid interface, and buoyancy due to the density difference between the fuel and the liquid onto which it is spilled. Both instantaneous and continuous spills of finite volume are treated. The height and spreading velocity of the pool of spilled fuel are calculated as functions of time and radius by numerically solving the conservation equations with a finite difference method. Output of the calculations is presented in both tabular and graphical form.
One-dimensional numerical fluid dynamics model of the spreading of liquefied gaseous fuel (LGF) on water
Stein, W.; Ermak, D.L.
A computer model has been developed to simulate the spreading of an evaporating liquefied gaseous fuel that has been spilled on the surface of a denser liquid. This would correspond, for example, to the spreading of liquefied natural gas spilled onto water. The model is based on the one-dimensional, time-dependent equations of conservation of mass and momentum, with the assumption that the pool of liquid fuel spreads in a radially symmetric manner. It includes the effects of vaporization, shear at the fuel-liquid interface, and buoyancy due to the density difference between the fuel and the liquid onto which it is spilled. Both instantaneous and continuous spills of finite volume are treated. The height and spreading velocity of the pool of spilled fuel are calculated as functions of time and radius by numerically solving the conservation equations with a finite difference method.Output of the calculations is presented in both tabular and graphical form.
MEAN-FIELD MODELING OF AN α{sup 2} DYNAMO COUPLED WITH DIRECT NUMERICAL SIMULATIONS OF RIGIDLY ROTATING CONVECTION
Masada, Youhei; Sano, Takayoshi E-mail: email@example.com
The mechanism of large-scale dynamos in rigidly rotating stratified convection is explored by direct numerical simulations (DNS) in Cartesian geometry. A mean-field dynamo model is also constructed using turbulent velocity profiles consistently extracted from the corresponding DNS results. By quantitative comparison between the DNS and our mean-field model, it is demonstrated that the oscillatory α{sup 2} dynamo wave, excited and sustained in the convection zone, is responsible for large-scale magnetic activities such as cyclic polarity reversal and spatiotemporal migration. The results provide strong evidence that a nonuniformity of the α-effect, which is a natural outcome of rotating stratified convection, can be an important prerequisite for large-scale stellar dynamos, even without the Ω-effect.
Numerical simulations of the bending of narrow-angle-tail radio jets by ram pressure or pressure gradients
Soker, N.; Sarazin, C.L.; O'Dea, C.P.
Three-dimensional numerical hydrodynamic simulations are used to study the bending of radio jets. The simulations are compared with observations of jets in narrow-angle-tail radio sources. Two mechanisms for the observed bending are considered: direct bending of quasi-continuous jets by ram pressure from intergalactic gas and bending by pressure gradients in the interstellar gas of the host galaxy, the pressure gradients themselves being the result of ram pressure by intergalactic gas. It is shown that the pressure gradients are much less effective in bending jets, implying that the jets have roughly 30 times lower momentum fluxes if they are bent by this mechanism. Ram-pressure bending produces jets with kidney-shaped cross sections; when observed from the side, these jets appear to have diffuse extensions on the downstream side. On the other hand, pressure-gradient bending causes the jets to be densest near their upstream side. 31 references.
PINTEX Data: Numeric results from the Polarized Internal Target Experiments (PINTEX) at the Indiana University Cyclotron Facility
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Meyer, H. O.
The PINTEX group studied proton-proton and proton-deuteron scattering and reactions between 100 and 500 MeV at the Indiana University Cyclotron Facility (IUCF). More than a dozen experiments made use of electron-cooled polarized proton or deuteron beams, orbiting in the 'Indiana Cooler' storage ring, and of a polarized atomic-beam target of hydrogen or deuterium in the path of the stored beam. The collaboration involved researchers from several midwestern universities, as well as a number of European institutions. The PINTEX program ended when the Indiana Cooler was shut down in August 2002. The website contains links to some of the numerical results, descriptions of experiments, and a complete list of publications resulting from PINTEX.
Numerical prediction of fiber orientation in injection-molded short-fiber/thermoplastic composite parts with experimental validation
Thi, Thanh Binh Nguyen; Morioka, Mizuki; Yokoyama, Atsushi; Hamanaka, Senji; Yamashita, Katsuhisa; Nonomura, Chisato
Numerical prediction of the fiber orientation in the short-glass fiber (GF) reinforced polyamide 6 (PA6) composites with the fiber weight concentration of 30%, 50%, and 70% manufactured by the injection molding process is presented. And the fiber orientation was also directly observed and measured through X-ray computed tomography. During the injection molding process of the short-fiber/thermoplastic composite, the fiber orientation is produced by the flow states and the fiber-fiber interaction. Folgar and Tucker equation is the well known for modeling the fiber orientation in a concentrated suspension. They included into Jeffrey�s equation a diffusive type of term by introducing a phenomenological coefficient to account for the fiber-fiber interaction. Our developed model for the fiber-fiber interaction was proposed by modifying the rotary diffusion term of the Folgar-Tucker equation. This model was presented in a conference paper of the 29{sup th} International Conference of the Polymer Processing Society published by AIP conference proceeding. For modeling fiber interaction, the fiber dynamic simulation was introduced in order to obtain a global fiber interaction coefficient, which is sum function of the fiber concentration, aspect ratio, and angular velocity. The fiber orientation is predicted by using the proposed fiber interaction model incorporated into a computer aided engineering simulation package C-Mold. An experimental program has been carried out in which the fiber orientation distribution has been measured in 100 x 100 x 2 mm injection-molded plate and 100 x 80 x 2 mm injection-molded weld by analyzed with a high resolution 3D X-ray computed tomography system XVA-160?, and calculated by X-ray computed tomography imaging. The numerical prediction shows a good agreement with experimental validation. And the complex fiber orientation in the injection-molded weld was investigated.
Numerical modeling of carrier gas flow in atomic layer deposition vacuum reactor: A comparative study of lattice Boltzmann models
Pan, Dongqing; Chien Jen, Tien [Department of Mechanical Engineering, University of Wisconsin-Milwaukee, Milwaukee, Wisconsin 53201 (United States); Li, Tao [School of Mechanical Engineering, Dalian University of Technology, Dalian 116024 (China); Yuan, Chris, E-mail: email@example.com [Department of Mechanical Engineering, University of Wisconsin-Milwaukee, 3200 North Cramer Street, Milwaukee, Wisconsin 53211 (United States)
This paper characterizes the carrier gas flow in the atomic layer deposition (ALD) vacuum reactor by introducing Lattice Boltzmann Method (LBM) to the ALD simulation through a comparative study of two LBM models. Numerical models of gas flow are constructed and implemented in two-dimensional geometry based on lattice Bhatnagar�Gross�Krook (LBGK)-D2Q9 model and two-relaxation-time (TRT) model. Both incompressible and compressible scenarios are simulated and the two models are compared in the aspects of flow features, stability, and efficiency. Our simulation outcome reveals that, for our specific ALD vacuum reactor, TRT model generates better steady laminar flow features all over the domain with better stability and reliability than LBGK-D2Q9 model especially when considering the compressible effects of the gas flow. The LBM-TRT is verified indirectly by comparing the numerical result with conventional continuum-based computational fluid dynamics solvers, and it shows very good agreement with these conventional methods. The velocity field of carrier gas flow through ALD vacuum reactor was characterized by LBM-TRT model finally. The flow in ALD is in a laminar steady state with velocity concentrated at the corners and around the wafer. The effects of flow fields on precursor distributions, surface absorptions, and surface reactions are discussed in detail. Steady and evenly distributed velocity field contribute to higher precursor concentration near the wafer and relatively lower particle velocities help to achieve better surface adsorption and deposition. The ALD reactor geometry needs to be considered carefully if a steady and laminar flow field around the wafer and better surface deposition are desired.
238U Decay Series Systematics Of Young Lavas From Batur Volcano...
or post-eruptive condensation of volatile Pb salts in vesicles. Authors K. H. Rubin, G. E. Wheller, M. O. Tanzer, J. D. MacDougall, R. Varne and R. Finkel Published...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
... Software Computations Uncertainty Quantification Stochastic About CRF Transportation Energy Consortiums Engine Combustion Heavy Duty Heavy Duty Low-Temperature & Diesel Combustion ...
The Ohio River Valley CO2 Storage Project AEP Mountaineer Plant, West Virginia Numerical Simulation and Risk Assessment Report
Neeraj Gupta
A series of numerical simulations of carbon dioxide (CO{sub 2}) injection were conducted as part of a program to assess the potential for geologic sequestration in deep geologic reservoirs (the Rose Run and Copper Ridge formations), at the American Electric Power (AEP) Mountaineer Power Plant outside of New Haven, West Virginia. The simulations were executed using the H{sub 2}O-CO{sub 2}-NaCl operational mode of the Subsurface Transport Over Multiple Phases (STOMP) simulator (White and Oostrom, 2006). The objective of the Rose Run formation modeling was to predict CO{sub 2} injection rates using data from the core analysis conducted on the samples. A systematic screening procedure was applied to the Ohio River Valley CO{sub 2} storage site utilizing the Features, Elements, and Processes (FEP) database for geological storage of CO{sub 2} (Savage et al., 2004). The objective of the screening was to identify potential risk categories for the long-term geological storage of CO{sub 2} at the Mountaineer Power Plant in New Haven, West Virginia. Over 130 FEPs in seven main classes were assessed for the project based on site characterization information gathered in a geological background study, testing in a deep well drilled on the site, and general site conditions. In evaluating the database, it was apparent that many of the items were not applicable to the Mountaineer site based its geologic framework and environmental setting. Nine FEPs were identified for further consideration for the site. These FEPs generally fell into categories related to variations in subsurface geology, well completion materials, and the behavior of CO{sub 2} in the subsurface. Results from the screening were used to provide guidance on injection system design, developing a monitoring program, performing reservoir simulations, and other risk assessment efforts. Initial work indicates that the significant FEPs may be accounted for by focusing the storage program on these potential issues. The screening method was also useful in identifying unnecessary items that were not significant given the site-specific geology and proposed scale of the Ohio River Valley CO{sub 2} Storage Project. Overall, the FEP database approach provides a comprehensive methodology for assessing potential risk for a practical CO{sub 2} storage application. An integrated numerical fate and transport model was developed to enable risk and consequence assessment at field scale. Results show that such an integrated modeling effort would be helpful in meeting the project objectives (such as site characterization, engineering, permitting, monitoring and closure) during different stages. A reservoir-scale numerical model was extended further to develop an integrated assessment framework which can address the risk and consequence assessment, monitoring network design and permitting guidance needs. The method was used to simulate sequestration of CO{sub 2} in moderate quantities at the Mountaineer Power Plant. Results indicate that at the relatively low injection volumes planned for pilot scale demonstration at this site, the risks involved are minor to negligible, owing to a thick, low permeability caprock and overburden zones. Such integrated modeling approaches coupled with risk and consequence assessment modeling are valuable to project implementation, permitting, monitoring as well as site closure.
An improved neutral diffusion model and numerical solution of the two dimensional edge plasma fluid equations. Final report
Prinja, A.K.
In this work, it has been shown that, for the given sets of parameters (transport coefficients), the Tangent-Predictor (TP) continuation method, which was used in the coarsest grid, works remarkably well. The problems in finding an initial guess that resides well within Newton`s method radius of convergence are alleviated by correcting the initial guess by the predictor step of the TP method. The TP method works well also in neutral gas puffing and impurity simulations. The neutral gas puffing simulation is performed by systematically increasing the fraction of puffing rate according to the TP method until it reaches a desired condition. Similarly, the impurity simulation characterized by using the fraction of impurity density as the continuation parameter, is carried out in line with the TP method. Both methods show, as expected, a better performance than the classical embedding (CE) method. The convergence criteria {epsilon} is set to be 10{sup {minus}9} based on the fact that lower value of {epsilon} does not alter the solution significantly. Correspondingly, the number of Newton`s iterations in the corrector step of the TP method decrease substantially, an extra point in terms of code speed. The success of the TP method enlarges the possibility of including other sets of parameters (operations and physics). With the availability of the converged coarsest grid solution, the next forward step to the multigrid cycle becomes possible. The multigrid method shows that the memory storage problems that plagued the application of Newton`s method on fine grids, are of no concern. An important result that needs to be noted here is the performance of the FFCD model. The FFCD model is relatively simple and is based on the overall results the model has shown to predict different divertor plasma parameters. The FFCD model treats exactly the implementation of the deep penetration of energetic neutrals emerging from the divertor plate. The resulting ionization profiles are relatively smooth as a consequence of the less localized recycling, leading to an improved convergence rate of the numerical algorithm. Peak plasma density is lower and the temperature correspondingly higher than those predicted by the standard diffusion model. It is believed that the FFCD model is more accurate. With both the TP continuation and multigrid methods, the author has demonstrated the robustness of these two methods. A mutually beneficial hybridization between the TP method and multigrid methods is clearly an alternative for edge plasma simulation. While the fundamental transport model considered in this work has ignored important physics such as drifts and currents, he has nevertheless demonstrated the versatility and robustness of the numerical scheme to handle such new physics. The application of gaseous-radiative divertor model in this work is just a beginning and up to this point numerically, the future is exciting.
Phase I Archaeological Investigation Cultural Resources Survey, Hawaii Geothermal Project, Makawao and Hana Districts, South Shore of Maui, Hawaii (DRAFT )
Erkelens, Conrad
This report details the archaeological investigation of a 200 foot wide sample corridor extending approximately 9 miles along the southern portion of Maui within the present districts of Hana and Makawao. A total of 51 archaeological sites encompassing 233 surface features were documented. A GPS receiver was used to accurately and precisely plot locations for each of the documented sites. Analysis of the locational information suggests that archaeological sites are abundant throughout the region and only become scarce where vegetation has been bulldozed for ranching activities. At the sea-land transition points for the underwater transmission cable, both Ahihi Bay and Huakini Bay are subjected to seasonal erosion and redeposition of their boulder shorelines. The corridor at the Ahihi Bay transition point runs through the Moanakala Village Complex which is an archaeological site on the State Register of Historic Places within a State Natural Area Reserve. Numerous other potentially significant archaeological sites lie within the project corridor. It is likely that rerouting of the corridor in an attempt to avoid known sites would result in other undocumented sites located outside the sample corridor being impacted. Given the distribution of archaeological sites, there is no alternative route that can be suggested that is likely to avoid encountering sites. A total of twelve charcoal samples were obtained for potential taxon identification and radiocarbon analysis. Four of these samples were subsequently submitted for dating and species identification. Bird bone from various locations within a lava tube were collected for identification. Sediment samples for subsequent pollen analysis were obtained from within two lava tubes. With these three sources of information it is hoped that paleoenvironmental data can be recovered that will enable a better understanding of the setting for Hawaiian habitation of the area. A small test unit was excavated at one habitation site. Charcoal, molluscan and fish remains, basalt tools, and other artifacts were recovered. This material, while providing an extremely small sample, will greatly enhance our understanding of the use of the area. Recommendations regarding the need for further investigation and the preservation of sites within the project corridor are suggested. All sites within the project corridor must be considered potentially significant at this juncture. Further archaeological investigation consisting of a full inventory survey will be required prior to a final assessment of significance for each site and the development of a mitigation plan for sites likely to be impacted by the Hawaii Geothermal Project.
Mixture Preparation and Nitric Oxide Formation in a GDI Engine studied by Combined Laser Diagnostics and Numerical Modeling
Volker Sick; Dennis N. Assanis
Through the combination of advanced imaging laser diagnostics with multi-dimensional computer models, a new understanding of the performance of direct-injection gasoline engines is pursuit. The work focuses on the fuel injection process, the breakup of the liquid into a fine spray and the mixing of the fuel with the in-cylinder gases. Non-intrusive laser diagnostics will be used to measure the spatial distribution of droplets and vaporized fuel with very high temporal resolution. These data along with temperature measurements will be used to validate a new spray breakup model for gasoline direct-injection. Experimental data on near wall fuel distributions will be used for comparison with a model that predicts the spray-wall interaction and the dynamics of the liquid film on the surface. Quantitative measurements of local nitric oxide concentrations inside the combustion chamber will provide a critical test for a numerical simulation of the nitric oxide formation process. This model is based on a modified flamelet approach and will be used to study the effects of exhaust gas recirculation.
DRSPALL: Impact of the Modification of the Numerical Spallings Model on Waste Isolation Pilot Plant Performance Assessment.
Kicker, Dwayne Curtis; Herrick, Courtney G.; Zeitler, Todd; Malama, Bwalya; Rudeen, David Keith; Gilkey, Amy P.
The numerical code DRSPALL (from direct release spallings) is written to calculate the volume of Waste Isolation Pilot Plant (WIPP) solid waste subject to material failure and transport to the surface as a result of a hypothetical future inadvertent drilling intrusion. An error in the implementation of the DRSPALL finite difference equations was discovered as documented in Software Problem Report (SPR) 13-001. The modifications to DRSPALL to correct the finite difference equations are detailed, and verification and validation testing has been completed for the modified DRSPALL code. The complementary cumulative distribution function (CCDF) of spallings releases obtained using the modified DRSPALL is higher compared to that found in previous WIPP performance assessment (PA) calculations. Compared to previous PAs, there was an increase in the number of vectors that result in a nonzero spallings volume, which generally translates to an increase in spallings releases. The overall mean CCDFs for total releases using the modified DRSPALL are virtually unchanged, thus the modification to DRSPALL did not impact WIPP PA calculation results.
Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms
LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico; Bulik, Ireneusz W.; Chan, Garnet Kin-Lic; Chung, Chia -Min; Deng, Youjin; Ferrero, Michel; Henderson, Thomas M.; Jiménez-Hoyos, Carlos A.; Kozik, E.; Liu, Xuan -Wen; Millis, Andrew J.; Prokof'ev, N. V.; Qin, Mingpu; Scuseria, Gustavo E.; Shi, Hao; Svistunov, B. V.; Tocchio, Luca F.; Tupitsyn, I. S.; White, Steven R.; Zhang, Shiwei; Zheng, Bo -Xiao; Zhu, Zhenyue; Gull, Emanuel
Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification of uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Furthermore, cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.
Numerical and experimental study of atomic transport and Balmer line intensity in Linac4 negative ion source
Shibata, T. Nishida, K.; Hatayama, A.; Mattei, S.; Lettry, J.
Time structure of Balmer H{sub ?} line intensity in Linac4 RF plasma has been analyzed by the combined simulation model of atomic transport and Collisional-Radiative models. As a preliminary result, time variation of the line intensity in the ignition phase of RF plasma is calculated and compared with the experimental results by photometry. For the comparison, spatial distribution of the local H{sub ?} photon emission rate at each time is calculated from the numerical model. The contribution of the local photon emission rates to the observed line intensity via optical viewing port is also investigated by application of the mock-up of the optical viewing port and the known light source. It has been clarified from the analyses that the higher and the lower peaks of the H{sub ?} line intensity observed during 1 RF cycle is mainly due to the different spatial distributions in the electron energy distribution function and the resultant local photon emission rate. These results support previous suggestion that the existence of the capacitive electric field in axial direction leads to the higher/lower peaks of the line intensity.
A Finite-Difference Numerical Method for Onsager's Pancake Approximation for Fluid Flow in a Gas Centrifuge
de Stadler, M; Chand, K
Gas centrifuges exhibit very complex flows. Within the centrifuge there is a rarefied region, a transition region, and a region with an extreme density gradient. The flow moves at hypersonic speeds and shock waves are present. However, the flow is subsonic in the axisymmetric plane. The analysis may be simplified by treating the flow as a perturbation of wheel flow. Wheel flow implies that the fluid is moving as a solid body. With the very large pressure gradient, the majority of the fluid is located very close to the rotor wall and moves at an azimuthal velocity proportional to its distance from the rotor wall; there is no slipping in the azimuthal plane. The fluid can be modeled as incompressible and subsonic in the axisymmetric plane. By treating the centrifuge as long, end effects can be appropriately modeled without performing a detailed boundary layer analysis. Onsager's pancake approximation is used to construct a simulation to model fluid flow in a gas centrifuge. The governing 6th order partial differential equation is broken down into an equivalent coupled system of three equations and then solved numerically. In addition to a discussion on the baseline solution, known problems and future work possibilities are presented.
Oblique shock breakout in supernovae and gamma-ray bursts. II. Numerical solutions for non-relativistic pattern speeds
Salbi, Pegah; Matzner, Christopher D.; Ro, Stephen [Department of Astronomy and Astrophysics, University of Toronto, 50 St. George Street, Toronto, ON M5S 3H4 (Canada); Levin, Yuri, E-mail: firstname.lastname@example.com [Monash Center for Astrophysics, Monash University, Clayton, VIC 3800 (Australia)
Non-spherical explosions develop non-radial flows as the pattern of shock emergence progresses across the stellar surface. In supernovae, these flows can limit ejecta speeds, stifle shock breakout emission, and cause collisions outside the star. Similar phenomena occur in stellar and planetary collisions, tidal disruption events, accretion-induced collapses, and propagating detonations. We present two-dimensional, nested-grid Athena simulations of non-radial shock emergence in a frame comoving with the breakout pattern, focusing on the adiabatic, non-relativistic limit in a plane stratified envelope. We set boundary conditions using a known self-similar solution and explore the role of box size and resolution on the result. The shock front curves toward the stellar surface, and exhibits a kink from which weak discontinuities originate. Flow around the point of shock emergence is neither perfectly steady nor self-similar. Waves and vortices, which are not predominantly due to grid effects, emanate from this region. The post-shock flow is deflected along the stellar surface and its pressure disturbs the stellar atmosphere upstream of the emerging shock. We use the numerical results and their analytical limits to predict the effects of radiation transfer and gravity, which are not included in our simulations.
Numerical power balance and free energy loss analysis for solar cells including optical, thermodynamic, and electrical aspects
Greulich, Johannes Höffler, Hannes; Würfel, Uli; Rein, Stefan
A method for analyzing the power losses of solar cells is presented, supplying a complete balance of the incident power, the optical, thermodynamic, and electrical power losses and the electrical output power. The involved quantities have the dimension of a power density (units: W/m{sup 2}), which permits their direct comparison. In order to avoid the over-representation of losses arising from the ultraviolet part of the solar spectrum, a method for the analysis of the electrical free energy losses is extended to include optical losses. This extended analysis does not focus on the incident solar power of, e.g., 1000 W/m{sup 2} and does not explicitly include the thermalization losses and losses due to the generation of entropy. Instead, the usable power, i.e., the free energy or electro-chemical potential of the electron-hole pairs is set as reference value, thereby, overcoming the ambiguities of the power balance. Both methods, the power balance and the free energy loss analysis, are carried out exemplarily for a monocrystalline p-type silicon metal wrap through solar cell with passivated emitter and rear (MWT-PERC) based on optical and electrical measurements and numerical modeling. The methods give interesting insights in photovoltaic (PV) energy conversion, provide quantitative analyses of all loss mechanisms, and supply the basis for the systematic technological improvement of the device.
Inverse Load Calculation of Wind Turbine Support Structures - A Numerical Verification Using the Comprehensive Simulation Code FAST: Preprint (Revised)
Pahn, T.; Jonkman, J.; Rolges, R.; Robertson, A.
Physically measuring the dynamic responses of wind turbine support structures enables the calculation of the applied loads using an inverse procedure. In this process, inverse means deriving the inputs/forces from the outputs/responses. This paper presents results of a numerical verification of such an inverse load calculation. For this verification, the comprehensive simulation code FAST is used. FAST accounts for the coupled dynamics of wind inflow, aerodynamics, elasticity and turbine controls. Simulations are run using a 5-MW onshore wind turbine model with a tubular tower. Both the applied loads due to the instantaneous wind field and the resulting system responses are known from the simulations. Using the system responses as inputs to the inverse calculation, the applied loads are calculated, which in this case are the rotor thrust forces. These forces are compared to the rotor thrust forces known from the FAST simulations. The results of these comparisons are presented to assess the accuracy of the inverse calculation. To study the influences of turbine controls, load cases in normal operation between cut-in and rated wind speed, near rated wind speed and between rated and cut-out wind speed are chosen. The presented study shows that the inverse load calculation is capable of computing very good estimates of the rotor thrust. The accuracy of the inverse calculation does not depend on the control activity of the wind turbine.
Detecting breast microcalcifications using super-resolution and wave-equation ultrasound imaging: a numerical phantom study
Huang, Lianjie; Simonetti, Francesco; Huthwaite, Peter; Rosenberg, Robert; Williamson, Michael
Ultrasound image resolution and quality need to be significantly improved for breast microcalcification detection. Super-resolution imaging with the factorization method has recently been developed as a promising tool to break through the resolution limit of conventional imaging. In addition, wave-equation reflection imaging has become an effective method to reduce image speckles by properly handling ultrasound scattering/diffraction from breast heterogeneities during image reconstruction. We explore the capabilities of a novel super-resolution ultrasound imaging method and a wave-equation reflection imaging scheme for detecting breast microcalcifications. Super-resolution imaging uses the singular value decomposition and a factorization scheme to achieve an image resolution that is not possible for conventional ultrasound imaging. Wave-equation reflection imaging employs a solution to the acoustic-wave equation in heterogeneous media to backpropagate ultrasound scattering/diffraction waves to scatters and form images of heterogeneities. We construct numerical breast phantoms using in vivo breast images, and use a finite-difference wave-equation scheme to generate ultrasound data scattered from inclusions that mimic microcalcifications. We demonstrate that microcalcifications can be detected at full spatial resolution using the super-resolution ultrasound imaging and wave-equation reflection imaging methods.
Numerical solutions of magnetohydrodynamic stability of axisymmetric toroidal plasmas using cubic B-spline finite element method
Cheng, C.Z.
A nonvariational ideal MHD stability code (NOVA) has been developed. In a general flux coordinate (/psi/, theta, /zeta/) system with an arbitrary Jacobian, the NOVA code employs Fourier expansions in the generalized poloidal angle theta and generalized toroidal angle /zeta/ directions, and cubic-B spline finite elements in the radial /psi/ direction. Extensive comparisons with these variational ideal MHD codes show that the NOVA code converges faster and gives more accurate results. An extended version of NOVA is developed to integrate non-Hermitian eigenmode equations due to energetic particles. The set of non-Hermitian integro-differential eigenmode equations is numerically solved by the NOVA-K code. We have studied the problems of the stabilization of ideal MHD internal kink modes by hot particle pressure and the excitation of ''fishbone'' internal kink modes by resonating with the energetic particle magnetic drift frequency. Comparisons with analytical solutions show that the values of the critical ..beta../sub h/ from the analytical theory can be an order of magnitude different from those computed by the NOVA-K code. 24 refs., 11 figs., 1 tab.
Spin filtering in a double quantum dot device: Numerical renormalization group study of the internal structure of the Kondo state
Vernek, E.; B�sser, C. A.; Anda, E. V.; Feiguin, A. E.; Martins, G. B.
A double quantum dot device, connected to two channels that only interact through interdot Coulomb repulsion, is analyzed using the numerical renormalization group technique. Using a two-impurity Anderson model, and realistic parameter values [S. Amasha, A. J. Keller, I. G. Rau, A. Carmi, J. A. Katine, H. Shtrikman, Y. Oreg, and D. Goldhaber-Gordon, Phys. Rev. Lett. 110, 046604 (2013)], it is shown that, by applying a moderate magnetic field and independently adjusting the gate potential of each quantum dot at half-filling, a spin-orbital SU(2) Kondo state can be achieved where the Kondo resonance originates from spatially separated parts of the device. Our results clearly link this spatial separation effect to currents with opposing spin polarizations in each channel, i.e., the device acts as a spin filter. In addition, an experimental probe of this polarization effect is suggested, pointing to the exciting possibility of experimentally probing the internal structure of an SU(2) Kondo state.
Black holes in a box: Toward the numerical evolution of black holes in AdS space-times
Witek, Helvi; Nerozzi, Andrea; Cardoso, Vitor; Herdeiro, Carlos; Sperhake, Ulrich; Zilhao, Miguel
The evolution of black holes in ''confining boxes'' is interesting for a number of reasons, particularly because it mimics the global structure of anti-de Sitter geometries. These are nonglobally hyperbolic space-times and the Cauchy problem may only be well defined if the initial data are supplemented by boundary conditions at the timelike conformal boundary. Here, we explore the active role that boundary conditions play in the evolution of a bulk black hole system, by imprisoning a black hole binary in a box with mirrorlike boundary conditions. We are able to follow the post-merger dynamics for up to two reflections off the boundary of the gravitational radiation produced in the merger. We estimate that about 15% of the radiation energy is absorbed by the black hole per interaction, whereas transfer of angular momentum from the radiation to the black hole is observed only in the first interaction. We discuss the possible role of superradiant scattering for this result. Unlike the studies with outgoing boundary conditions, both of the Newman-Penrose scalars {Psi}{sub 4} and {Psi}{sub 0} are nontrivial in our setup, and we show that the numerical data verifies the expected relations between them.
Numerical Study of the Formation, Ion Spin-up and Nonlinear Stability Properties of Field-reversed Configurations
E.V. Belova; R.C. Davidson; H. Ji; M. Yamada; C.D. Cothran; M.R. Brown; M.J. Schaffer
Results of three-dimensional numerical simulations of field-reversed configurations (FRCs) are presented. Emphasis of this work is on the nonlinear evolution of magnetohydrodynamic (MHD) instabilities in kinetic FRCs and the new FRC formation method by the counter-helicity spheromak merging. Kinetic simulations show nonlinear saturation of the n = 1 tilt mode, where n is the toroidal mode number. The n = 2 and n = 3 rotational modes are observed to grow during the nonlinear phase of the tilt instability due to the ion spin-up in the toroidal direction. The ion toroidal spin-up is shown to be related to the resistive decay of the internal flux, and the resulting loss of particle confinement. Three-dimensional MHD simulations of counter-helicity spheromak merging and FRC formation show good agreement with results from the SSX-FRC experiment. Simulations show formation of an FRC in about 30 Alfven times for typical experimental parameters. The growth rate of the n = 1 tilt mode is shown to be significantly reduced compared to the MHD growth rate due to the large plasma viscosity and field-line-tying effects.
A numerical study of short residence time FCC riser flows with a new flow/kinetics modeling technique.
Chang, S. L.
Fluid Catalytic Cracking (FCC) technology is the most important process used by the refinery industry to convert crude oil to valuable lighter products such as gasoline. New and modified processes are constantly developed by refinery companies to improve their global competitiveness and meet more stringent environmental regulations. Short residence time FCC riser reactor is one of the advanced processes that the refining industry is actively pursuing because it can improve the yield selectivity and efficiency of an FCC unit. However, as the residence time becomes shorter, the impact of the mixing between catalyst and feed oil at the feed injection region on the product yield becomes more significant. Currently, most FCC computer models used by the refineries perform sophisticated kinetic calculations on simplified flow field and can not be used to evaluate the impact of fluid mixing on the performance of an FCC unit. Argonne National Laboratory (AFL) is developing a computational fluid dynamic (CFD) code ICRKFLO for FCC riser flow modeling. The code, employing hybrid hydrodynamic-chemical kinetic coupling techniques, is used to investigate the effect of operating and design conditions on the product yields of FCC riser reactors. Numerical calculations were made using the code to examine the impacts of the operating and design conditions on the product yields. The controlling parameters under investigation include the residence time, reaction temperature, and catalyst/oil ratio. This paper describes the CFD code, presents computation results, and discusses the effects of operating conditions on the performance of short residence time FCC riser reactors.
Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico; Bulik, Ireneusz W.; Chan, Garnet Kin-Lic; Chung, Chia -Min; Deng, Youjin; Ferrero, Michel; Henderson, Thomas M.; Jiménez-Hoyos, Carlos A.; et al
Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification ofmore » uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Furthermore, cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.« less
A direct numerical simulation-based investigation and modeling of pressure Hessian effects on compressible velocity gradient dynamics
Danish, Mohammad Suman, Sawan Srinivasan, Balaji
The pressure Hessian tensor plays a key role in shaping the behavior of the velocity gradient tensor, and in turn, that of many incumbent non-linear processes in a turbulent flow field. In compressible flows, the role of pressure Hessian is even more important because it represents the level of fluid-thermodynamic coupling existing in the flow field. In this work, we first perform a direct numerical simulation-based study to clearly identify, isolate, and understand various important inviscid mechanisms that govern the evolution of the pressure Hessian tensor in compressible turbulence. The ensuing understanding is then employed to introduce major improvements to the existing Lagrangian model of the pressure Hessian tensor (the enhanced Homogenized Euler equation or EHEE) in terms of (i) non-symmetric, non-isentropic effects and (ii) improved representation of the anisotropic portion of the pressure Hessian tensor. Finally, we evaluate the new model extensively by comparing the new model results against known turbulence behavior over a range of Reynolds and Mach numbers. Indeed, the new model shows much improved performance as compared to the EHEE model.
A numerical study of geometry dependent errors in velocity, temperature, and density measurements from single grid planar retarding potential analyzers
Davidson, R. L.; Earle, G. D.; Heelis, R. A.; Klenzing, J. H.
Planar retarding potential analyzers (RPAs) have been utilized numerous times on high profile missions such as the Communications/Navigation Outage Forecast System and the Defense Meteorological Satellite Program to measure plasma composition, temperature, density, and the velocity component perpendicular to the plane of the instrument aperture. These instruments use biased grids to approximate ideal biased planes. These grids introduce perturbations in the electric potential distribution inside the instrument and when unaccounted for cause errors in the measured plasma parameters. Traditionally, the grids utilized in RPAs have been made of fine wires woven into a mesh. Previous studies on the errors caused by grids in RPAs have approximated woven grids with a truly flat grid. Using a commercial ion optics software package, errors in inferred parameters caused by both woven and flat grids are examined. A flat grid geometry shows the smallest temperature and density errors, while the double thick flat grid displays minimal errors for velocities over the temperature and velocity range used. Wire thickness along the dominant flow direction is found to be a critical design parameter in regard to errors in all three inferred plasma parameters. The results shown for each case provide valuable design guidelines for future RPA development.
The MGGB equation-of-state for multifield applications: a numerical recipe for analytic expression of sesame EOS data
Kashiwa, B. A.
Abstract A thermodynamically consistent and fully general equation�of� state (EOS) for multifield applications is described. EOS functions are derived from a Helmholtz free energy expressed as the sum of thermal (fluctuational) and collisional (condensed�phase) contributions; thus the free energy is of the Mie�Gr�uneisen1 form. The phase�coexistence region is defined using a parameterized saturation curve by extending the form introduced by Guggenheim,2 which scales the curve relative to conditions at the critical point. We use the zero�temperature condensed�phase contribution developed by Barnes,3 which extends the Thomas�Fermi�Dirac equation to zero pressure. Thus, the functional form of the EOS could be called MGGB (for Mie� Gr�uneisen�Guggenheim�Barnes). Substance�specific parameters are obtained by fitting the low�density energy to data from the Sesame4 library; fitting the zero�temperature pressure to the Sesame cold curve; and fitting the saturation curve and latent heat to laboratory data,5 if available. When suitable coexistence data, or Sesame data, are not available, then we apply the Principle of Corresponding States.2 Thus MGGB can be thought of as a numerical recipe for rendering the tabular Sesame EOS data in an analytic form that includes a proper coexistence region, and which permits the accurate calculation of derivatives associated with compressibility, expansivity, Joule coefficient, and specific heat, all of which are required for multifield applications. 1
Investigation of the effect of chemistry models on the numerical predictions of the supersonic combustion of hydrogen
Kumaran, K.; Babu, V.
In this numerical study, the influence of chemistry models on the predictions of supersonic combustion in a model combustor is investigated. To this end, 3D, compressible, turbulent, reacting flow calculations with a detailed chemistry model (with 37 reactions and 9 species) and the Spalart-Allmaras turbulence model have been carried out. These results are compared with earlier results obtained using single step chemistry. Hydrogen is used as the fuel and three fuel injection schemes, namely, strut, staged (i.e., strut and wall) and wall injection, are considered to evaluate the impact of the chemistry models on the flow field predictions. Predictions of the mass fractions of major species, minor species, dimensionless stagnation temperature, dimensionless static pressure rise and thrust percentage along the combustor length are presented and discussed. Overall performance metrics such as mixing efficiency and combustion efficiency are used to draw inferences on the nature (whether mixing- or kinetic-controlled) and the completeness of the combustion process. The predicted values of the dimensionless wall static pressure are compared with experimental data reported in the literature. The calculations show that multi step chemistry predicts higher and more wide spread heat release than what is predicted by single step chemistry. In addition, it is also shown that multi step chemistry predicts intricate details of the combustion process such as the ignition distance and induction distance. (author)
Numerical Stochastic Homogenization Method and Multiscale Stochastic Finite Element Method - A Paradigm for Multiscale Computation of Stochastic PDEs
X. Frank Xu
Multiscale modeling of stochastic systems, or uncertainty quantization of multiscale modeling is becoming an emerging research frontier, with rapidly growing engineering applications in nanotechnology, biotechnology, advanced materials, and geo-systems, etc. While tremendous efforts have been devoted to either stochastic methods or multiscale methods, little combined work had been done on integration of multiscale and stochastic methods, and there was no method formally available to tackle multiscale problems involving uncertainties. By developing an innovative Multiscale Stochastic Finite Element Method (MSFEM), this research has made a ground-breaking contribution to the emerging field of Multiscale Stochastic Modeling (MSM) (Fig 1). The theory of MSFEM basically decomposes a boundary value problem of random microstructure into a slow scale deterministic problem and a fast scale stochastic one. The slow scale problem corresponds to common engineering modeling practices where fine-scale microstructure is approximated by certain effective constitutive constants, which can be solved by using standard numerical solvers. The fast scale problem evaluates fluctuations of local quantities due to random microstructure, which is important for scale-coupling systems and particularly those involving failure mechanisms. The Green-function-based fast-scale solver developed in this research overcomes the curse-of-dimensionality commonly met in conventional approaches, by proposing a random field-based orthogonal expansion approach. The MSFEM formulated in this project paves the way to deliver the first computational tool/software on uncertainty quantification of multiscale systems. The applications of MSFEM on engineering problems will directly enhance our modeling capability on materials science (composite materials, nanostructures), geophysics (porous media, earthquake), biological systems (biological tissues, bones, protein folding). Continuous development of MSFEM will further contribute to the establishment of Multiscale Stochastic Modeling strategy, and thereby potentially to bring paradigm-shifting changes to simulation and modeling of complex systems cutting across multidisciplinary fields.
Final Technical Report: Numerical and Experimental Investigation of Turbulent Transport Control via Shaping of Radial Plasma Flow Profiles
Schuster, Eugenio
The strong coupling between the different physical variables involved in the plasma transport phenomenon and the high complexity of its dynamics call for a model-based, multivariable approach to profile control where those predictive models could be exploited. The overall objective of this project has been to extend the existing body of work by investigating numerically and experimentally active control of unstable fluctuations, including fully developed turbulence and the associated cross-field particle transport, via manipulation of flow profiles in a magnetized laboratory plasma device. Fluctuations and particle transport can be monitored by an array of electrostatic probes, and Ex#2;B flow profiles can be controlled via a set of biased concentric ring electrodes that terminate the plasma column. The goals of the proposed research have been threefold: i- to develop a predictive code to simulate plasma transport in the linear HELCAT (HELicon-CAThode) plasma device at the University of New Mexico (UNM), where the experimental component of the proposed research has been carried out; ii- to establish the feasibility of using advanced model-based control algorithms to control cross-field turbulence-driven particle transport through appropriate manipulation of radial plasma flow profiles, iii- to investigate the fundamental nonlinear dynamics of turbulence and transport physics. Lehigh University (LU), including Prof. Eugenio Schuster and one full-time graduate student, has been primarily responsible for control-oriented modeling and model-based control design. Undergraduate students have also participated in this project through the National Science Foundation Research Experience for Undergraduate (REU) program. The main goal of the LU Plasma Control Group has been to study the feasibility of controlling turbulence-driven transport by shaping the radial poloidal flow profile (i.e., by controlling flow shear) via biased concentric ring electrodes.
Perez, Jean Carlos; Chandran, Benjamin D. G.
We present direct numerical simulations of inhomogeneous reduced magnetohydrodynamic (RMHD) turbulence between the Sun and the Alfv�n critical point. These are the first such simulations that take into account the solar-wind outflow velocity and the radial inhomogeneity of the background solar wind without approximating the nonlinear terms in the governing equations. RMHD turbulence is driven by outward-propagating Alfv�n waves (z {sup +} fluctuations) launched from the Sun, which undergo partial non-WKB reflection to produce sunward-propagating Alfv�n waves (z {sup �} fluctuations). We present 10 simulations with different values of the correlation time ?{sub c{sub sun}{sup +}} and perpendicular correlation length L{sub ?} of outward-propagating Alfv�n waves at the coronal base. We find that between 15% and 33% of the z {sup +} energy launched into the corona dissipates between the coronal base and Alfv�n critical point. Between 33% and 40% of this input energy goes into work on the solar-wind outflow, and between 22% and 36% escapes as z {sup +} fluctuations through the simulation boundary at r = r{sub A}. The z {sup �} power spectra scale like k{sub perpendicular}{sup -?{sup �}}, where k is the wavenumber in the plane perpendicular to B{sub 0}. In our simulation with the smallest value of ?{sub c{sub sun}{sup +}} (?2 minutes) and largest value of L{sub ?} (2 � 10{sup 4} km), we find that ?{sup +} decreases approximately linearly with increasing ln (r), reaching a value of 1.3 at r = 11.1 R{sub ?}. Our simulations with larger values of ?{sub c{sub sun}{sup +}} exhibit alignment between the contours of constant ?{sup +}, ?{sup �}, ?{sub 0}{sup +}, and ?{sub 0}{sup -}, where ?{sup �} are the Els�sser potentials and ?{sub 0}{sup �} are the outer-scale parallel Els�sser vorticities.
Development of a Two-fluid Drag Law for Clustered Particles using Direct Numerical Simulation and Validation through Experiments
Gokaltun, Seckin; Munroe, Norman; Subramaniam, Shankar
This study presents a new drag model, based on the cohesive inter-particle forces, implemented in the MFIX code. This new drag model combines an existing standard model in MFIX with a particle-based drag model based on a switching principle. Switches between the models in the computational domain occur where strong particle-to-particle cohesion potential is detected. Three versions of the new model were obtained by using one standard drag model in each version. Later, performance of each version was compared against available experimental data for a fluidized bed, published in the literature and used extensively by other researchers for validation purposes. In our analysis of the results, we first observed that standard models used in this research were incapable of producing closely matching results. Then, we showed for a simple case that a threshold is needed to be set on the solid volume fraction. This modification was applied to avoid non-physical results for the clustering predictions, when governing equation of the solid granular temperate was solved. Later, we used our hybrid technique and observed the capability of our approach in improving the numerical results significantly; however, improvement of the results depended on the threshold of the cohesive index, which was used in the switching procedure. Our results showed that small values of the threshold for the cohesive index could result in significant reduction of the computational error for all the versions of the proposed drag model. In addition, we redesigned an existing circulating fluidized bed (CFB) test facility in order to create validation cases for clustering regime of Geldart A type particles.
On the hypothesis that quantum mechanism manifests classical mechanics: Numerical approach to the correspondence in search of quantum chaos
Lee, Sang-Bong
Quantum manifestation of classical chaos has been one of the extensively studied subjects for more than a decade. Yet clear understanding of its nature still remains to be an open question partly due to the lack of a canonical definition of quantum chaos. The classical definition seems to be unsuitable in quantum mechanics partly because of the Heisenberg quantum uncertainty. In this regard, quantum chaos is somewhat misleading and needs to be clarified at the very fundamental level of physics. Since it is well known that quantum mechanics is more fundamental than classical mechanics, the quantum description of classically chaotic nature should be attainable in the limit of large quantum numbers. The focus of my research, therefore, lies on the correspondence principle for classically chaotic systems. The chaotic damped driven pendulum is mainly studied numerically using the split operator method that solves the time-dependent Schroedinger equation. For classically dissipative chaotic systems in which (multi)fractal strange attractors often emerge, several quantum dissipative mechanisms are also considered. For instance, Hoover`s and Kubo-Fox-Keizer`s approaches are studied with some computational analyses. But the notion of complex energy with non-Hermiticity is extensively applied. Moreover, the Wigner and Husimi distribution functions are examined with an equivalent classical distribution in phase-space, and dynamical properties of the wave packet in configuration and momentum spaces are also explored. The results indicate that quantum dynamics embraces classical dynamics although the classicalquantum correspondence fails to be observed in the classically chaotic regime. Even in the semi-classical limits, classically chaotic phenomena would eventually be suppressed by the quantum uncertainty.
Chiswell, S
Assimilation of radar velocity and precipitation fields into high-resolution model simulations can improve precipitation forecasts with decreased 'spin-up' time and improve short-term simulation of boundary layer winds (Benjamin, 2004 & 2007; Xiao, 2008) which is critical to improving plume transport forecasts. Accurate description of wind and turbulence fields is essential to useful atmospheric transport and dispersion results, and any improvement in the accuracy of these fields will make consequence assessment more valuable during both routine operation as well as potential emergency situations. During 2008, the United States National Weather Service (NWS) radars implemented a significant upgrade which increased the real-time level II data resolution to 8 times their previous 'legacy' resolution, from 1 km range gate and 1.0 degree azimuthal resolution to 'super resolution' 250 m range gate and 0.5 degree azimuthal resolution (Fig 1). These radar observations provide reflectivity, velocity and returned power spectra measurements at a range of up to 300 km (460 km for reflectivity) at a frequency of 4-5 minutes and yield up to 13.5 million point observations per level in super-resolution mode. The migration of National Weather Service (NWS) WSR-88D radars to super resolution is expected to improve warning lead times by detecting small scale features sooner with increased reliability; however, current operational mesoscale model domains utilize grid spacing several times larger than the legacy data resolution, and therefore the added resolution of radar data is not fully exploited. The assimilation of super resolution reflectivity and velocity data into high resolution numerical weather model forecasts where grid spacing is comparable to the radar data resolution is investigated here to determine the impact of the improved data resolution on model predictions.
Pore-Scale and Multiscale Numerical Simulation of Flow and Transport in a Laboratory-Scale Column
Scheibe, Timothy D.; Perkins, William A.; Richmond, Marshall C.; McKinley, Matthey I.; Romero Gomez, Pedro DJ; Oostrom, Martinus; Wietsma, Thomas W.; Serkowski, John A.; Zachara, John M.
Pore-scale models are useful for studying relationships between fundamental processes and phenomena at larger (i.e., Darcy) scales. However, the size of domains that can be simulated with explicit pore-scale resolution is limited by computational and observational constraints. Direct numerical simulation of pore-scale flow and transport is typically performed on millimeter-scale volumes at which X-ray computed tomography (XCT), often used to characterize pore geometry, can achieve micrometer resolution. In contrast, the scale at which a continuum approximation of a porous medium is valid is usually larger, on the order of centimeters to decimeters. Furthermore, laboratory experiments that measure continuum properties are typically performed on decimeter-scale columns. At this scale, XCT resolution is coarse (tens to hundreds of micrometers) and prohibits characterization of small pores and grains. We performed simulations of pore-scale processes over a decimeter-scale volume of natural porous media with a wide range of grain sizes, and compared to results of column experiments using the same sample. Simulations were conducted using high-performance codes executed on a supercomputer. Two approaches to XCT image segmentation were evaluated, a binary (pores and solids) segmentation and a ternary segmentation that resolved a third category (porous solids with pores smaller than the imaged resolution). We used a mixed Stokes-Darcy simulation method to simulate the combination of Stokes flow in large open pores and Darcy-like flow in porous solid regions. Simulations based on the ternary segmentation provided results that were consistent with experimental observations, demonstrating our ability to successfully model pore-scale flow over a column-scale domain.
Vr�nak, B.; �ic, T.; Dumbovi?, M.; Temmer, M.; M�stl, C.; Veronig, A. M.; Taktakishvili, A.; Mays, M. L.; Odstr?il, D. E-mail: firstname.lastname@example.com E-mail: firstname.lastname@example.com E-mail: firstname.lastname@example.com E-mail: email@example.com
Real-time forecasting of the arrival of coronal mass ejections (CMEs) at Earth, based on remote solar observations, is one of the central issues of space-weather research. In this paper, we compare arrival-time predictions calculated applying the numerical ''WSA-ENLIL+Cone model'' and the analytical ''drag-based model'' (DBM). Both models use coronagraphic observations of CMEs as input data, thus providing an early space-weather forecast two to four days before the arrival of the disturbance at the Earth, depending on the CME speed. It is shown that both methods give very similar results if the drag parameter ? = 0.1 is used in DBM in combination with a background solar-wind speed of w = 400 km s{sup �1}. For this combination, the mean value of the difference between arrival times calculated by ENLIL and DBM is ?-bar =0.09�9.0 hr with an average of the absolute-value differences of |?|-bar =7.1 hr. Comparing the observed arrivals (O) with the calculated ones (C) for ENLIL gives O � C = �0.3 � 16.9 hr and, analogously, O � C = +1.1 � 19.1 hr for DBM. Applying ? = 0.2 with w = 450 km s{sup �1} in DBM, one finds O � C = �1.7 � 18.3 hr, with an average of the absolute-value differences of 14.8 hr, which is similar to that for ENLIL, 14.1 hr. Finally, we demonstrate that the prediction accuracy significantly degrades with increasing solar activity.
The dog originated south of Yangtse river less than 16,000 years ago, from numerous wolves
Leitner, Thomas; Pang, Jun - Feng; Kluetsch, Cornelya
We here present a detailed picture of the origins of the dog, giving strong and precise evidence for 'where and when', and thereby also a first tentative picture of 'how, why and by whom' the wolf was domesticated. Previous studies of mitochondrial DNA (mtDNA) have failed to definitely establish the time and place of origin because of lack in phylogenetic resolution for the so far studied 582 bp region, and inadequate sampling across the world. We therefore analysed 169 mtDNA genomes, selected from partial sequences (582 bp) from 1,576 dogs worldwide. This shows that dogs universally share a common gene pool, but the three earlier identified universally occurring phylogenetic clades ofhigh age consist often much younger subclades, which originated 5,000-16,000 ya from at least 48 wolf founders. The full range of genetic diversity, all 10 subclades, is found only in south-eastern Asia south of Yangtze River, and the diversity decreases gradually across Eurasia down to only four sub clades in Europe. This establishes that the dog has a single origin in time and space from a large number ofwolves, less than 16,000 ya, probably in China south of Y angtzeRiver. The place and time coincide with the origin of rice agriculture, suggesting an origin among sedentary hunter-gatherers or early rice farmers. The numerous founders indicate that wolf taming was an important cultural trait, and it is noticeable that in this region dogs are since ancient times used as food, offering a possible reason for the wolf domestication.
Validation Studies for Numerical Simulations of Flow Phenomena Expected in the Lower Plenum of a Prismatic VHTR Reference Design
Richard W. Johnson
The final design of the very high temperature reactor (VHTR) of the fourth generation of nuclear power plants (Gen IV) has not yet been established. The VHTR may be either a prismatic (block) or pebble bed type. It may be either gas-cooled or cooled with an as yet unspecified molten salt. However, a conceptual design of a gas-cooled VHTR, based on the General Atomics GT-MHR, does exist and is called the prismatic VHTR reference design, MacDonald et al [2003], General Atomics [1996]. The present validation studies are based on the prismatic VHTR reference design. In the prismatic VHTR reference design, the flow in the lower plenum will be introduced by dozens of turbulent jets issuing into a large crossflow that must negotiate dozens of cylindrical support columns as it flows toward the exit duct of the reactor vessel. The jets will not all be at the same temperature due to the radial variation of power density expected in the core. However, it is important that the coolant be well mixed when it enters the power conversion unit to ensure proper operation and long life of the power conversion machinery. Hence, it is deemed important to be able to accurately model the flow and mixing of the variable temperature coolant in the lower plenum and exit duct. Accurate flow modeling involves determining modeling strategies including the fineness of the grid needed, iterative convergence tolerance, numerical discretization method used, whether the flow is steady or unsteady, and the turbulence model and wall treatment employed. It also involves validation of the computer code and turbulence model against a series of separate and combined flow phenomena and selection of the data used for the validation. The present report describes progress made to date for the task entitled 'CFD software validation of jets in crossflow' which was designed to investigate the issues pertaining to the validation process.
Evidence for Bolgiano-Obukhov scaling in rotating stratified turbulence using high-resolution direct numerical simulations
Rosenberg, Duane L; Pouquet, Dr. Annick; Mininni, Dr. Pablo D.; Marino, Dr. Raffaele
We report results on rotating stratified turbulence in the absence of forcing, with large-scale isotropic initial conditions, using direct numerical simulations computed on grids of up to $4096^3$ points. The Reynolds and Froude numbers are respectively equal to $Re=5.4\\times 10^4$ and $Fr=0.0242$. The ratio of the Brunt-V\\"ais\\"al\\"a to the inertial wave frequency, $N/f$, is taken to be equal to 5, a choice appropriate to model the dynamics of the southern abyssal ocean at mid latitudes. This gives a global buoyancy Reynolds number $R_B=ReFr^2=32$, a value sufficient for some isotropy to be recovered in the small scales beyond the Ozmidov scale, but still moderate enough that the intermediate scales where waves are prevalent are well resolved. We concentrate on the large-scale dynamics and confirm that the Froude number based on a typical vertical length scale is of order unity, with strong gradients in the vertical. Two characteristic scales emerge from this computation, and are identified from sharp variations in the spectral distribution of either total energy or helicity. A spectral break is also observed at a scale at which the partition of energy between the kinetic and potential modes changes abruptly, and beyond which a Kolmogorov-like spectrum recovers. Large slanted layers are ubiquitous in the flow in the velocity and temperature fields, and a large-scale enhancement of energy is also observed, directly attributable to the effect of rotation.
A mixture-energy-consistent six-equation two-phase numerical model for fluids with interfaces, cavitation and evaporation waves
Pelanti, Marica; Shyue, Keh-Ming
We model liquid�gas flows with cavitation by a variant of the six-equation single-velocity two-phase model with stiff mechanical relaxation of Saurel�Petitpas�Berry (Saurel et al., 2009) [9]. In our approach we employ phasic total energy equations instead of the phasic internal energy equations of the classical six-equation system. This alternative formulation allows us to easily design a simple numerical method that ensures consistency with mixture total energy conservation at the discrete level and agreement of the relaxed pressure at equilibrium with the correct mixture equation of state. Temperature and Gibbs free energy exchange terms are included in the equations as relaxation terms to model heat and mass transfer and hence liquid�vapor transition. The algorithm uses a high-resolution wave propagation method for the numerical approximation of the homogeneous hyperbolic portion of the model. In two dimensions a fully-discretized scheme based on a hybrid HLLC/Roe Riemann solver is employed. Thermo-chemical terms are handled numerically via a stiff relaxation solver that forces thermodynamic equilibrium at liquid�vapor interfaces under metastable conditions. We present numerical results of sample tests in one and two space dimensions that show the ability of the proposed model to describe cavitation mechanisms and evaporation wave dynamics.
Comparison of direct numerical simulation of lean premixed methane-air flames with strained laminar flame calculations.
Chen, Jacqueline H.; Hawkes, Evatt R.
Direct numerical simulation (DNS) with complex chemistry was used to study statistics of displacement and consumption speeds in turbulent lean premixed methane-air flames. The main focus of the study is an evaluation of the extent to which a turbulent flame in the thin reaction zones regime can be described by an ensemble of strained laminar flames. Conditional averages with respect to strain for displacement and consumption speeds are presented over a wide range of strain typically encountered in a turbulent flame, compared with previous studies that either made local pointwise comparisons or conditioned the data on small strain and curvature. The conditional averages for positive strains are compared with calculated data from two different canonical strained laminar configurations to determine which is the optimal representation of a laminar flame structure embedded in a turbulent flame: the reactant-to-product (R-to-P) configuration or the symmetric twin flame configuration. Displacement speed statistics are compared for the progress-variable isosurface of maximum reaction rate and an isosurface toward the fresh gases, which are relevant for both modeling and interpretation of experiment results. Displacement speeds in the inner reaction layer are found to agree very well with the laminar R-to-P calculations over a wide range of strain for higher Damkhler number conditions, well beyond the regime in which agreement was expected. For lower Damkhler numbers, a reduced response to strain is observed, consistent with previous studies and theoretical expectations. Compared with the inner layer, broader and shifted probability density functions (PDFs) of displacement speed were observed in the fresh gases, and the agreement with the R-to-P calculations deteriorated. Consumption speeds show a poorer agreement with strained laminar calculations, which is attributed to multidimensional effects and a more attenuated unsteady response to strain fluctuations; however, they also show less departure from the unstrained laminar value, suggesting that detailed modeling of this quantity may not be critical for the conditions considered. For all quantities investigated, including CO production, the R-to-P laminar configuration provides an improved description relative to the twin flame configuration, which predicts qualitatively incorrect trends and overestimates extinction.
Analysis of turbulent transport and mixing in transitional Rayleigh/Taylor unstable flow using direct numerical simulation data
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Schilling, Oleg; Mueschke, Nicholas J.
Data from a 1152X760X1280 direct numerical simulation (DNS) of a transitional Rayleigh-Taylor mixing layer modeled after a small Atwood number water channel experiment is used to comprehensively investigate the structure of mean and turbulent transport and mixing. The simulation had physical parameters and initial conditions approximating those in the experiment. The budgets of the mean vertical momentum, heavy-fluid mass fraction, turbulent kinetic energy, turbulent kinetic energy dissipation rate, heavy-fluid mass fraction variance, and heavy-fluid mass fraction variance dissipation rate equations are constructed using Reynolds averaging applied to the DNS data. The relative importance of mean and turbulent production, turbulent dissipationmore��and destruction, and turbulent transport are investigated as a function of Reynolds number and across the mixing layer to provide insight into the flow dynamics not presently available from experiments. The analysis of the budgets supports the assumption for small Atwood number, Rayleigh/Taylor driven flows that the principal transport mechanisms are buoyancy production, turbulent production, turbulent dissipation, and turbulent diffusion (shear and mean field production are negligible). As the Reynolds number increases, the turbulent production in the turbulent kinetic energy dissipation rate equation becomes the dominant production term, while the buoyancy production plateaus. Distinctions between momentum and scalar transport are also noted, where the turbulent kinetic energy and its dissipation rate both grow in time and are peaked near the center plane of the mixing layer, while the heavy-fluid mass fraction variance and its dissipation rate initially grow and then begin to decrease as mixing progresses and reduces density fluctuations. All terms in the transport equations generally grow or decay, with no qualitative change in their profile, except for the pressure flux contribution to the total turbulent kinetic energy flux, which changes sign early in time (a countergradient effect). The production-to-dissipation ratios corresponding to the turbulent kinetic energy and heavy-fluid mass fraction variance are large and vary strongly at small evolution times, decrease with time, and nearly asymptote as the flow enters a self-similar regime. The late-time turbulent kinetic energy production-to-dissipation ratio is larger than observed in shear-driven turbulent flows. The order of magnitude estimates of the terms in the transport equations are shown to be consistent with the DNS at late-time, and also confirms both the dominant terms and their evolutionary behavior. These results are useful for identifying the dynamically important terms requiring closure, and assessing the accuracy of the predictions of Reynolds-averaged Navier-Stokes and large-eddy simulation models of turbulent transport and mixing in transitional Rayleigh-Taylor instability-generated flow.��less
Late Cenozoic volcanism in the Lassen area, southernmost Cascade Range, California
Clynne, M.A.; Muffler, L.J.P.; Dalrymple, G.B. )
Volcanism in the southernmost Cascade Range can be characterized on two scales. Regional volcanism is predominantly basaltic to andesitic, and hundreds of coalescing volcanoes of small volume (10[sup [minus]3] to 10[sup 1] km[sup 3]) with short lifetimes have built a broad platform. Superimposed on the regional volcanism are a few long-lived ([approximately]10[sup 6] years) much larger (>10 [sup 2] km[sup 3]) volcanic centers. Each of these larger centers consists of a basaltic-andesite to andesite composite cone and flanking silicic domes and flows. The evolution of these volcanic centers conforms to a generalized three-stage model during which a conspicuous edifice is constructed. Stages 1 and 2 comprise a dominantly andesitic composite cone; Stage 3 marks a change to dominantly silicic volcanism and is accompanied by development of a hydrothermal system in the permeable core of the andesitic composite cone. Subsequent fluvial and glacial erosion produces a caldera-like depression with a topographically high resistant rim of Stage 2 lavas surrounding the deeply eroded, hydrothermally altered core of the composite cone. Two types of basalt are recognized in the southernmost Cascades; medium-K calc-alkaline (CAB) and low-K olivine tholeiite (LKOT). CAB exhibits considerable geochemical diversity and is the parent magma for the volcanic-center lavas and the majority of the evolved regional lavas. LKOT is chemically homogeneous, and outcrops sporadically in association with extensional tectonics of the Basin and Range Province, and is related to Pleistocene encroachment of Basin-and-Range tectonics on the subduction-related volcanism of the Cascade Range.
Analysis of turbulent transport and mixing in transitional Rayleigh–Taylor unstable flow using direct numerical simulation data
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Schilling, Oleg; Mueschke, Nicholas J.
Data from a 1152X760X1280 direct numerical simulation (DNS) of a transitional Rayleigh-Taylor mixing layer modeled after a small Atwood number water channel experiment is used to comprehensively investigate the structure of mean and turbulent transport and mixing. The simulation had physical parameters and initial conditions approximating those in the experiment. The budgets of the mean vertical momentum, heavy-fluid mass fraction, turbulent kinetic energy, turbulent kinetic energy dissipation rate, heavy-fluid mass fraction variance, and heavy-fluid mass fraction variance dissipation rate equations are constructed using Reynolds averaging applied to the DNS data. The relative importance of mean and turbulent production, turbulent dissipationmore » and destruction, and turbulent transport are investigated as a function of Reynolds number and across the mixing layer to provide insight into the flow dynamics not presently available from experiments. The analysis of the budgets supports the assumption for small Atwood number, Rayleigh/Taylor driven flows that the principal transport mechanisms are buoyancy production, turbulent production, turbulent dissipation, and turbulent diffusion (shear and mean field production are negligible). As the Reynolds number increases, the turbulent production in the turbulent kinetic energy dissipation rate equation becomes the dominant production term, while the buoyancy production plateaus. Distinctions between momentum and scalar transport are also noted, where the turbulent kinetic energy and its dissipation rate both grow in time and are peaked near the center plane of the mixing layer, while the heavy-fluid mass fraction variance and its dissipation rate initially grow and then begin to decrease as mixing progresses and reduces density fluctuations. All terms in the transport equations generally grow or decay, with no qualitative change in their profile, except for the pressure flux contribution to the total turbulent kinetic energy flux, which changes sign early in time (a countergradient effect). The production-to-dissipation ratios corresponding to the turbulent kinetic energy and heavy-fluid mass fraction variance are large and vary strongly at small evolution times, decrease with time, and nearly asymptote as the flow enters a self-similar regime. The late-time turbulent kinetic energy production-to-dissipation ratio is larger than observed in shear-driven turbulent flows. The order of magnitude estimates of the terms in the transport equations are shown to be consistent with the DNS at late-time, and also confirms both the dominant terms and their evolutionary behavior. Thus, these results are useful for identifying the dynamically important terms requiring closure, and assessing the accuracy of the predictions of Reynolds-averaged Navier-Stokes and large-eddy simulation models of turbulent transport and mixing in transitional Rayleigh-Taylor instability-generated flow.« less
Study of Particle Rotation Effect in Gas-Solid Flows using Direct Numerical Simulation with a Lattice Boltzmann Method
Kwon, Kyung; Fan, Liang-Shih; Zhou, Qiang; Yang, Hui
A new and efficient direct numerical method with second-order convergence accuracy was developed for fully resolved simulations of incompressible viscous flows laden with rigid particles. The method combines the state-of-the-art immersed boundary method (IBM), the multi-direct forcing method, and the lattice Boltzmann method (LBM). First, the multi-direct forcing method is adopted in the improved IBM to better approximate the no-slip/no-penetration (ns/np) condition on the surface of particles. Second, a slight retraction of the Lagrangian grid from the surface towards the interior of particles with a fraction of the Eulerian grid spacing helps increase the convergence accuracy of the method. An over-relaxation technique in the procedure of multi-direct forcing method and the classical fourth order Runge-Kutta scheme in the coupled fluid-particle interaction were applied. The use of the classical fourth order Runge-Kutta scheme helps the overall IB-LBM achieve the second order accuracy and provides more accurate predictions of the translational and rotational motion of particles. The preexistent code with the first-order convergence rate is updated so that the updated new code can resolve the translational and rotational motion of particles with the second-order convergence rate. The updated code has been validated with several benchmark applications. The efficiency of IBM and thus the efficiency of IB-LBM were improved by reducing the number of the Lagragian markers on particles by using a new formula for the number of Lagrangian markers on particle surfaces. The immersed boundary-lattice Boltzmann method (IBLBM) has been shown to predict correctly the angular velocity of a particle. Prior to examining drag force exerted on a cluster of particles, the updated IB-LBM code along with the new formula for the number of Lagrangian markers has been further validated by solving several theoretical problems. Moreover, the unsteadiness of the drag force is examined when a fluid is accelerated from rest by a constant average pressure gradient toward a steady Stokes flow. The simulation results agree well with the theories for the short- and long-time behavior of the drag force. Flows through non-rotational and rotational spheres in simple cubic arrays and random arrays are simulated over the entire range of packing fractions, and both low and moderate particle Reynolds numbers to compare the simulated results with the literature results and develop a new drag force formula, a new lift force formula, and a new torque formula. Random arrays of solid particles in fluids are generated with Monte Carlo procedure and Zinchenko's method to avoid crystallization of solid particles over high solid volume fractions. A new drag force formula was developed with extensive simulated results to be closely applicable to real processes over the entire range of packing fractions and both low and moderate particle Reynolds numbers. The simulation results indicate that the drag force is barely affected by rotational Reynolds numbers. Drag force is basically unchanged as the angle of the rotating axis varies.
Numerical modeling of the groundwater contaminant transport for the Lake Karachai Area: The methodological approach and the basic two- dimensional regional model
Petrov, A.V.; Samsonova, L.M.; Vasil`kova, N.A.; Zinin, A.I.; Zinina, G.A. |
Methodological aspects of the numerical modeling of the groundwater contaminant transport for the Lake Karachay area are discussed. Main features of conditions of the task are the high grade of non-uniformity of the aquifer in the fractured rock massif and the high density of the waste solutions, and also the high volume of the input data: both on the part of parameters of the aquifer (number of pump tests) and on the part of observations of functions of processes (long-time observations by the monitoring well grid). The modeling process for constructing the two dimensional regional model is described, and this model is presented as the basic model for subsequent full three-dimensional modeling in sub-areas of interest. Original powerful mathematical apparatus and computer codes for finite-difference numerical modeling are used.
Finite difference numerical method for the superlattice Boltzmann transport equation and case comparison of CPU(C) and GPU(CUDA) implementations
Priimak, Dmitri
We present a finite difference numerical algorithm for solving two dimensional spatially homogeneous Boltzmann transport equation which describes electron transport in a semiconductor superlattice subject to crossed time dependent electric and constant magnetic fields. The algorithm is implemented both in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPU. We compare performances and merits of one implementation versus another and discuss various software optimisation techniques.
Positive field-cooled dc susceptibility in granular superconductors interpreted through numerical simulations on a simple Josephson-junction-array model
Auletta, C.; Raiconi, G.; De Luca, R.; Pace, S.
We have performed numerical simulations of a field-cooled dc susceptibility experiment carried out for granular superconductors by modeling these systems with a simple Josephson-junction array proposed by the authors. By this analysis the temperature dependence of the positive field-cooled susceptibility at very low values of the applied magnetic field, observed by Braunisch {ital et} {ital al}. [Phys. Rev. Lett. 68, 1908 (1992)] for some ceramic superonductors, has been reproduced and interpreted.
Numerical simulations of epitaxial growth process in MOVPE reactor as a tool for design of modern semiconductors for high power electronics
Skibinski, Jakub; Wejrzanowski, Tomasz [Warsaw University of Technology, Faculty of Materials Science and Engineering, Woloska 141, 02507 Warsaw (Poland); Caban, Piotr [Institute of Electronic Materials Technology, Wolczynska 133, 01919 Warsaw (Poland); Kurzydlowski, Krzysztof J. [Warsaw University of Technology, Faculty of Materials Science and Engineering Woloska, 141, 02507 Warsaw (Poland)
In the present study numerical simulations of epitaxial growth of gallium nitride in Metal Organic Vapor Phase Epitaxy reactor AIX-200/4RF-S is addressed. Epitaxial growth means crystal growth that progresses while inheriting the laminar structure and the orientation of substrate crystals. One of the technological problems is to obtain homogeneous growth rate over the main deposit area. Since there are many agents influencing reaction on crystal area such as temperature, pressure, gas flow or reactor geometry, it is difficult to design optimal process. According to the fact that it's impossible to determine experimentally the exact distribution of heat and mass transfer inside the reactor during crystal growth, modeling is the only solution to understand the process precisely. Numerical simulations allow to understand the epitaxial process by calculation of heat and mass transfer distribution during growth of gallium nitride. Including chemical reactions in numerical model allows to calculate the growth rate of the substrate and estimate the optimal process conditions for obtaining the most homogeneous product.
Sedimentologic succession of uplifted coral community, Urvina Bay, Isabela Island, Galapagos Archipelago, Ecuador
Colgan, M.W.; Hollander, D.
In March 1954, along the west-central coast of Isabela Island, an upward movement of magma suddenly raised Urvina Bay over 6 m and exposed several square kilometers of carbonate deposits covering a young aa lava flow (around 1000 years old). Results from 6 transect lines across the uplift, 30 cores, and 10 trenches describe the sedimentologic and ecologic transition from barren basalt to diverse carbonate sediments with small coral reefs. Along horizontal transects spanning from 0 to 7 m paleowater depth, there is a seaward progression from beaches, mangroves, and basalt to thick deposits (> 1.6 m) of carbonate sands and small coral reefs. Variation in water depth, degree of wave exposure, and irregularity of the aa lava topography provided many microhabitats where coral, calcareous algae, and mollusks settled and grew. Eight hermatypic coral species are found throughout the shelf, and three species (i.e., Pavona clavus, Pocillopora damicornis, and Porites lobata) produced five small, isolated, monospecific, coral-reef frameworks. The vertical section seen in cores and trenches shows that calcium carbonate increased upward, whereas volcanic sediments decreased; however, episodic layers occur with high concentrations of basaltic sands. In vertical samples from the central portion of the shelf, the coral population changed from small, isolated colonies of Psammocora (Plesioseris) superficalis near the basalt basement to large reef-forming colonies of Pocillopora damicornis farther upsection. Reefs of the Galapagos Islands are small and less diverse than most Pacific reefs. Nonetheless, understanding their temporal successional development should throw light on the origin and history of larger oceanic reefs in the Pacific.
Stratigraphy of the unsaturated zone and the Snake River Plain aquifer at and near the Idaho National Engineering Laboratory, Idaho
Anderson, S.R.; Liszewski, M.J.
The unsaturated zone and the Snake River Plain aquifer at and near the Idaho National Engineering Laboratory (INEL) are made up of at least 178 basalt-flow groups, 103 sedimentary interbeds, 6 andesite-flow groups, and 4 rhyolite domes. Stratigraphic units identified in 333 wells in this 890-mile{sup 2} area include 121 basalt-flow groups, 102 sedimentary interbeds, 6 andesite-flow groups, and 1 rhyolite dome. Stratigraphic units were identified and correlated using the data from numerous outcrops and 26 continuous cores and 328 natural-gamma logs available in December 1993. Basalt flows make up about 85% of the volume of deposits underlying the area.
Experimental and Numerical Investigation of Forming and Springback Behavior and the Resulting Effects on Industrial Application on a Structural Part in Mass Production
Prexl, A.; Hoffmann, H. [Institute of Metal Forming and Casting, Technische Universitaet Muenchen D-85747 Garching (Germany); Golle, M. [Institute of Metal Forming and Casting, Technische Universitaet Muenchen D-85747 Garching (Germany); Institute of Punching and Blanking, Pforzheim University, D-75175 Pforzheim (Germany); Kudrass, S.; Wahl, M. [AUDI AG, D-85045 Ingolstadt (Germany)
Springback prediction and compensation is nowadays a widely recommended discipline in finite element modeling. Many researches have shown an improvement of the accuracy in prediction of springback using advanced modeling techniques, e.g. by including the Bauschinger effect. In this work different models were investigated in the commercial simulation program AutoForm for a large series production part, manufactured from the dual phase steel HC340XD. The work shows the differences between numerical drawbead models and geometrically modeled drawbeads. Furthermore, a sensitivity analysis was made for a reduced kinematic hardening model, implemented in the finite element program AutoForm.
Numerical simulation of the electromagnetic decay of the nuclei {sup 152,154,156}Dy with self-consistent collective strength functions
Martin, V.; Egido, J.L.; Khoo, T.L.; Lauritsen, T.
The electromagnetic decay of the nuclei {sup 152,154,156}Dy is analyzed using microscopic Hartree-Fock calculations at finite temperature. The theoretical collective transition probabilities are implemented in numerical simulations to produce theoretical spectra. Thermal shape fluctuations are also taken into account. The inclusion of these correlation is crucial in order to understand the main features of the collective {ital E}2 spectra of these isotopes at different energies. The theoretical calculations suggest a shape change as responsible for the unusual features of the spectrum of the nucleus {sup 154}Dy at high energy.
Fish Individual-based Numerical Simulator (FINS): A particle-based model of juvenile salmonid movement and dissolved gas exposure history in the Columbia River Basin
Scheibe, Timothy D.; Richmond, Marshall C.
This paper describes a numerical model of juvenile salmonid migration in the Columbia and Snake Rivers. The model, called the Fish Individual-based Numerical Simulator or FINS, employs a discrete, particle-based approach to simulate the migration and history of exposure to dissolved gases of individual fish. FINS is linked to a two-dimensional (vertically-averaged) hydrodynamic simulator that quantifies local water velocity, temperature, and dissolved gas levels as a function of river flow rates and dam operations. Simulated gas exposure histories can be input to biological mortality models to predict the effects of various river configurations on fish injury and mortality due to dissolved gas supersaturation. Therefore, FINS serves as a critical linkage between hydrodynamic models of the river system and models of biological impacts. FINS was parameterized and validated based on observations of individual fish movements collected using radiotelemetry methods during 1997 and 1998. A quasi-inverse approach was used to decouple fish swimming movements from advection with the local water velocity, allowing inference of time series of non-advective displacements of individual fish from the radiotelemetry data. Statistical analyses of these displacements are presented, and confirm that strong temporal correlation of fish swimming behavior persists in some cases over several hours. A correlated random-walk model was employed to simulate the observed migration behavior, and parameters of the model were estimated that lead to close correspondence between predictions and observations.
Numerical modeling of heat-transfer and the influence of process parameters on tailoring the grain morphology of IN718 in electron beam additive manufacturing
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Raghavan, Narendran; Dehoff, Ryan; Pannala, Sreekanth; Simunovic, Srdjan; Kirka, Michael; Turner, John; Carlson, Neil; Babu, Sudarsanam S.
The fabrication of 3-D parts from CAD models by additive manufacturing (AM) is a disruptive technology that is transforming the metal manufacturing industry. The correlation between solidification microstructure and mechanical properties has been well understood in the casting and welding processes over the years. This paper focuses on extending these principles to additive manufacturing to understand the transient phenomena of repeated melting and solidification during electron beam powder melting process to achieve site-specific microstructure control within a fabricated component. In this paper, we have developed a novel melt scan strategy for electron beam melting of nickel-base superalloy (Inconel 718) andmore » also analyzed 3-D heat transfer conditions using a parallel numerical solidification code (Truchas) developed at Los Alamos National Laboratory. The spatial and temporal variations of temperature gradient (G) and growth velocity (R) at the liquid-solid interface of the melt pool were calculated as a function of electron beam parameters. By manipulating the relative number of voxels that lie in the columnar or equiaxed region, the crystallographic texture of the components can be controlled to an extent. The analysis of the parameters provided optimum processing conditions that will result in columnar to equiaxed transition (CET) during the solidification. Furthermore, the results from the numerical simulations were validated by experimental processing and characterization thereby proving the potential of additive manufacturing process to achieve site-specific crystallographic texture control within a fabricated component.« less
Interim reclamation report, Basalt Waste Isolation Project Near Surface Test Facility 1990
Brandt, C.A.; Rickard, W.H. Jr.; Hefty, M.G.; Cadoret, N.A.
This report describes the development of the reclamation project for the Hanford Site Near Surface Test Facility (NSTF), its implementation, and preliminary estimates of its success. The goal of the reclamation project is to return disturbed sites as nearly as practicable to their original conditions using native species. Gable Mountain is dominated by two plant communities: a big sagebrush (Artemisia tridentata) -- Sandberg's bluegrass (Poa sandbergii) community and a stiff sagebrush (Artemisia rigida) -- Sandberg's bluegrass community. Disassembly of the site installations began on March 15, 1988, and the site was returned to original contours by December 12, 1988. Two separate revegetation methods were employed at the NSTF to meet differing site constraints. Vegetative cover and density in the revegetation plots were assessed in April 1989 and again in June 1989 and 1990. It is extremely unlikely that the sand pit, borrow pit, box cuts, generator pad area, or ventilation fan area will reach the reclamation objectives set for these areas within the next 50 years without further intervention. These areas currently support few living plants. Vegetation on revegetated native soils appears to be growing as expected. Vegetation growth on the main waterline is well below the objective. To date, no shrubs have grown on the area, growth of native grasses is well below the objective, and much of the area has been covered with the pit run material, which may not support adequate growth. Without further treatments, the areas without the pit run material will likely revert to a nearly pure cheatgrass condition. 44 refs., 13 figs., 7 tabs.
Evaluation of Analytical and Numerical Techniques for Defining the Radius of Influence for an Open-Loop Ground Source Heat Pump System
Freedman, Vicky L.; Mackley, Rob D.; Waichler, Scott R.; Horner, Jacob A.
In an open-loop groundwater heat pump (GHP) system, groundwater is extracted, run through a heat exchanger, and injected back into the ground, resulting in no mass balance changes to the flow system. Although the groundwater use is non-consumptive, the withdrawal and injection of groundwater may cause negative hydraulic and thermal impacts to the flow system. Because GHP is a relatively new technology and regulatory guidelines for determining environmental impacts for GHPs may not exist, consumptive use metrics may need to be used for permit applications. For consumptive use permits, a radius of influence is often used, which is defined as the radius beyond which hydraulic impacts to the system are considered negligible. In this paper, the hydraulic radius of influence concept was examined using analytical and numerical methods for a non-consumptive GHP system in southeastern Washington State. At this location, the primary hydraulic concerns were impacts to nearby contaminant plumes and a water supply well field. The results of this study showed that the analytical techniques with idealized radial flow were generally unsuited because they over predicted the influence of the well system. The numerical techniques yielded more reasonable results because they could account for aquifer heterogeneities and flow boundaries. In particular, the use of a capture zone analysis was identified as the best method for determining potential changes in current contaminant plume trajectories. The capture zone analysis is a more quantitative and reliable tool for determining the radius of influence with a greater accuracy and better insight for a non-consumptive GHP assessment.
A three-dimensional numerical model of predevelopment conditions in the Death Valley regional ground-water flow system, Nevada and California
D'Agnese, F.A.; O'Brien, G.M.; Faunt, C.C.; Belcher, W.R.; San Juan, Carma
In the early 1990's, two numerical models of the Death Valley regional ground-water flow system were developed by the U.S. Department of Energy. In general, the two models were based on the same basic hydrogeologic data set. In 1998, the U.S. Department of Energy requested that the U.S. Geological Survey develop and maintain a ground-water flow model of the Death Valley region in support of U.S. Department of Energy programs at the Nevada Test Site. The purpose of developing this ''second-generation'' regional model was to enhance the knowledge and understanding of the ground-water flow system as new information and tools are developed. The U.S. Geological Survey also was encouraged by the U.S. Department of Energy to cooperate to the fullest extent with other Federal, State, and local entities in the region to take advantage of the benefits of their knowledge and expertise. The short-term objective of the Death Valley regional ground-water flow system project was to develop a steady-stat e representation of the predevelopment conditions of the ground-water flow system utilizing the two geologic interpretations used to develop the previous numerical models. The long-term objective of this project was to construct and calibrate a transient model that simulates the ground-water conditions of the study area over the historical record that utilizes a newly interpreted hydrogeologic conceptual model. This report describes the result of the predevelopment steady-state model construction and calibration.
Modeling pure methane hydrate dissociation using a numerical simulator from a novel combination of X-ray computed tomography and macroscopic data
Gupta, A.; Moridis, G.J.; Kneafsey, T.J.; Sloan, Jr., E.D.
The numerical simulator TOUGH+HYDRATE (T+H) was used to predict the transient pure methane hydrate (no sediment) dissociation data. X-ray computed tomography (CT) was used to visualize the methane hydrate formation and dissociation processes. A methane hydrate sample was formed from granular ice in a cylindrical vessel, and slow depressurization combined with thermal stimulation was applied to dissociate the hydrate sample. CT images showed that the water produced from the hydrate dissociation accumulated at the bottom of the vessel and increased the hydrate dissociation rate there. CT images were obtained during hydrate dissociation to confirm the radial dissociation of the hydrate sample. This radial dissociation process has implications for dissociation of hydrates in pipelines, suggesting lower dissociation times than for longitudinal dissociation. These observations were also confirmed by the numerical simulator predictions, which were in good agreement with the measured thermal data during hydrate dissociation. System pressure and sample temperature measured at the sample center followed the CH{sub 4} hydrate L{sub w}+H+V equilibrium line during hydrate dissociation. The predicted cumulative methane gas production was within 5% of the measured data. Thus, this study validated our simulation approach and assumptions, which include stationary pure methane hydrate-skeleton, equilibrium hydrate-dissociation and heat- and mass-transfer in predicting hydrate dissociation in the absence of sediments. It should be noted that the application of T+H for the pure methane hydrate system (no sediment) is outside the general applicability limits of T+H.
A Numerical Sensitivity Study of...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
These clouds significaly impact the atmospheric radiative budget, with reductions in ... of 60-80% and are often made up of sulfates (Zhou et al., 2001; Bigg and Leck, 2001). ...
Numerical Modeling of HCCI Combustion
Broader source: Energy.gov [DOE]
Presentation given at DEER 2006, August 20-24, 2006, Detroit, Michigan. Sponsored by the U.S. DOE's EERE FreedomCar and Fuel Partnership and 21st Century Truck Programs.
Numerical Modeling | Open Energy Information
4.0 4.1 Jerome Sacks,William Welch,Toby Mitchell,Henry Wynn. 1989. Design and Analysis of Computer Experiments. Statistical Science. . Page Area Activity Start Date Activity End...
Numerical Modeling of PCCI Combustion
Broader source: Energy.gov [DOE]
2004 Diesel Engine Emissions Reduction (DEER) Conference Presentation: Lawrence Livermore National Laboratory/University of Michigan
Volcanic hazards of the Idaho National Engineering Laboratory and adjacent areas
Hackett, W.R.; Smith, R.P.
Potential volcanic hazards are assessed, and hazard zone maps are developed for the Idaho National Engineering Laboratory (INEL) and adjacent areas. The basis of the hazards assessment and mapping is the past volcanic history of the INEL region, and the apparent similarity of INEL volcanism with equivalent, well-studied phenomena in other regions of active volcanism, particularly Hawaii and Iceland. The most significant hazards to INEL facilities are associated with basaltic volcanism, chiefly lava flows, which move slowly and mainly threaten property by inundation or burning. Related hazards are volcanic gases and tephra, and ground disturbance associated with the ascent of magma under the volcanic zones. Several volcanic zones are identified in the INEL area. These zones contain most of the volcanic vents and fissures of the region and are inferred to be the most probable sites of future INEL volcanism. Volcanic-recurrence estimates are given for each of the volcanic zones based on geochronology of the lavas, together with the results of field and petrographic investigations concerning the cogenetic relationships of INEL volcanic deposits and associated magma intrusion. Annual probabilities of basaltic volcanism within the INEL volcanic zones range from 6.2 {times} 10{sup {minus}5} per year (average 16,000-year interval between eruptions) for the axial volcanic zone near the southern INEL boundary and the Arco volcanic-rift zone near the western INEL boundary, to 1 {times} 10{sup {minus}5} per year (average 100,000-year interval between eruptions) for the Howe-East Butte volcanic rift zone, a geologically old and poorly defined feature of the central portion of INEL. Three volcanic hazard zone maps are developed for the INEL area: lava flow hazard zones, a tephra (volcanic ash) and gas hazard zone, and a ground-deformation hazard zone. The maps are useful in land-use planning, site selection, and safety analysis.
Experimental and numerical study of the accuracy of flame-speed measurements for methane/air combustion in a slot burner
Selle, L.; Ferret, B. [Universite de Toulouse, INPT, UPS, IMFT, Institut de Mecanique des Fluides de Toulouse (France); CNRS, IMFT, Toulouse (France); Poinsot, T. [Universite de Toulouse, INPT, UPS, IMFT, Institut de Mecanique des Fluides de Toulouse (France); CNRS, IMFT, Toulouse (France); CERFACS, Toulouse (France)
Measuring the velocities of premixed laminar flames with precision remains a controversial issue in the combustion community. This paper studies the accuracy of such measurements in two-dimensional slot burners and shows that while methane/air flame speeds can be measured with reasonable accuracy, the method may lack precision for other mixtures such as hydrogen/air. Curvature at the flame tip, strain on the flame sides and local quenching at the flame base can modify local flame speeds and require corrections which are studied using two-dimensional DNS. Numerical simulations also provide stretch, displacement and consumption flame speeds along the flame front. For methane/air flames, DNS show that the local stretch remains small so that the local consumption speed is very close to the unstretched premixed flame speed. The only correction needed to correctly predict flame speeds in this case is due to the finite aspect ratio of the slot used to inject the premixed gases which induces a flow acceleration in the measurement region (this correction can be evaluated from velocity measurement in the slot section or from an analytical solution). The method is applied to methane/air flames with and without water addition and results are compared to experimental data found in the literature. The paper then discusses the limitations of the slot-burner method to measure flame speeds for other mixtures and shows that it is not well adapted to mixtures with a Lewis number far from unity, such as hydrogen/air flames. (author)
Numerical Study Of Melted Particles Crush Metallic Substrates And The Interaction Between Particles And A Plasma Beam In The Thermal Projection Process
Kriba, Ilhem; Djebaili, A.
Plasma spray processes have been widely used to produce high performance coatings of a wide range of Materials (metallic, non-metallic, ceramics), offering protection from, eg. wear, extreme temperature, chemical attack and environmental corrosion. To obtain good quality coatings, spray parameters must be carefully selected. Due to the large variety in process parameters, it is difficult to optimize the process for each specific coating and substrate combinations. Furthermore modelling the spray process allows a better understanding of the process sequences during thermal spraying. Good agreement of the virtual spraying process with the real coating formation is achieved by modelling the particular process steps. The simulation of coating formation to estimate the process parameters is an important tool to develop new coating structures with defined properties. In this work, the process of plasma sprayed coating has been analyzed by numerical simulation. Commercial code is used to predict the plasma jet characteristics, plasma--particle interaction, and coating formation. Using this model we can obtain coating microstructure and characteristics which form a foundation for further improvement of an advanced ceramic coating build up model.
Movshovitz, Naor; Asphaug, Erik; Korycansky, Donald
We advance the modeling of rubble-pile solid bodies by re-examining the tidal breakup of comet Shoemaker-Levy 9, an event that occurred during a 1.33 R encounter with Jupiter in 1992 July. Tidal disruption of the comet nucleus led to a chain of sub-nuclei {approx}100-1000 m diameter; these went on to collide with the planet two years later. They were intensively studied prior to and during the collisions, making SL9 the best natural benchmark for physical models of small-body disruption. For the first time in the study of this event, we use numerical codes treating rubble piles as collections of polyhedra. This introduces forces of dilatation and friction, and inelastic response. As in our previous studies we conclude that the progenitor must have been a rubble pile, and we obtain approximately the same pre-breakup diameter ({approx}1.5 km) in our best fits to the data. We find that the inclusion of realistic fragment shapes leads to grain locking and dilatancy, so that even in the absence of friction or other dissipation we find that disruption is overall more difficult than in our spheres-based simulations. We constrain the comet's bulk density at {rho}{sub bulk} {approx} 300-400 kg m{sup -3}, half that of our spheres-based predictions and consistent with recent estimates derived from spacecraft observations.
Numerical techniques for steady two-dimensional transcritical stratified flow problems, with an application to the intermediate field dynamics of Ocean Thermal Energy Conversion plants
Jones, J.M.; Jirka, G.H.; Caughey, D.A.
The development of predictive techniques for the predominantly horizontal, layered fluid motions that result when a continuous buoyant source is discharged into an ambient fluid at a bounding surface, interface or equilibrium level is studied. Although the numerical techniques developed are applicable to general discharge configurations, the model development is focused on the particular case of a radial source of buoyancy and momentum discharged into a uniform ambient crossflow. The resulting density current is analyzed by application of the depth-integrated hydrodynamic equations. The density current dynamics are shown to vary with the relative intermediate- to near-field strengths, as characterized by the ratio of their respective length scales. The complete range of this interaction, from small near-field effects to large near-field effects, is investigated. Results are presented as the depth integrated velocity and current thickness distributions for different field strength values. The model predictions are compared to two sets of laboratory data and to limited field information, involving a river discharge and a submerged outfall into the ocean. Good agreement is obtained in all cases. Finally, the model results are applied to the prediction of a river plume into a coastal ocean current and to the continuous discharge from an OTEC plant operating in the stratified ocean. In both cases, the results indicate the significant horizontal extent (order of several kilometers) of the resulting current, together with their limited vertical extent (order of several meters). Their strong sensitivity to ambient current magnitude and stratification strength is demonstrated.
Numerical simulation of ground-water flow in the Culebra dolomite at the Waste Isolation Pilot Plant (WIPP) site: Second interim report
LaVenue, A.M.; Haug, A.; Kelley, V.A.
This hydrogeologic modeling study has been performed as part of the regional hydrologic characterization of the Waste Isolation Pilot Plant (WIPP) Site in southeastern New Mexico. The study resulted in an estimation of the transmissivity distrubution, hydraulic potentials, flow field, and fluid densities in the Culebra Dolomite Member of the Permian Rustler Formation at the WIPP site. The three-dimensional finite-difference code SWIFT-II was employed for the numerical modeling, using variable-fluid-density and a single-porosity formulation. The modeled area includes and extends beyond the WIPP controlled zone (Zone 3). The work performed consisted of modeling the hydrogeology of the Culebra using two approaches: (1) steady-state modeling to develop the best estimate of the undisturbed head distribution, i.e., of the situation before sinking if the WIPP shafts, which began in 1981; and (2) superimposed transient modeling of local hydrologic responses to excavation of the three WIPP shafts at the center of the WIPP site, as well as to various well tests. Boundary conditions (prescribed constant fluid pressures and densities) were estimated using hydraulic-head and fluid-density data obtained from about 40 wells at and near the WIPP site. The transient modeling used the calculated steady-state freshwater heads as initial conditions. 107 refs., 112 figs., 22 tabs.
Use of ARM observations and numerical models to determine radiative and latent heating profiles of mesoscale convective systems for general circulation models
Houze, Jr., Robert A.
We examined cloud radar data in monsoon climates, using cloud radars at Darwin in the Australian monsoon, on a ship in the Bay of Bengal in the South Asian monsoon, and at Niamey in the West African monsoon. We followed on with a more in-depth study of the continental MCSs over West Africa. We investigated whether the West African anvil clouds connected with squall line MCSs passing over the Niamey ARM site could be simulated in a numerical model by comparing the observed anvil clouds to anvil structures generated by the Weather Research and Forecasting (WRF) mesoscale model at high resolution using six different ice-phase microphysical schemes. We carried out further simulations with a cloud-resolving model forced by sounding network budgets over the Niamey region and over the northern Australian region. We have devoted some of the effort of this project to examining how well satellite data can determine the global breadth of the anvil cloud measurements obtained at the ARM ground sites. We next considered whether satellite data could be objectively analyzed to so that their large global measurement sets can be systematically related to the ARM measurements. Further differences were detailed between the land and ocean MCS anvil clouds by examining the interior structure of the anvils with the satellite-detected the CloudSat Cloud Profiling Radar (CPR). The satellite survey of anvil clouds in the Indo-Pacific region was continued to determine the role of MCSs in producing the cloud pattern associated with the MJO.
Numerical Modeling of 90Sr and 137Cs Transport from a Spill in the B-Cell of the 324 Building, Hanford Site 300 Area
Rockhold, Mark L.; Bacon, Diana H.; Freedman, Vicky L.; Lindberg, Michael J.; Clayton, Ray E.
To characterize the extent of contamination under the 324 Building, a pit was excavated on the north side of the building in 2010 by Washington Closure Hanford LLC (WCH). Horizontal closed-end steel access pipes were installed under the foundation of the building from this pit and were used for measuring temperatures and exposure rates under the B-Cell. The deployed sensors measured elevated temperatures of up to 61 C (142 F) and exposure rates of up to 8,900 R/hr. WCH suspended deactivation of the facility because it recognized that building safety systems and additional characterization data might be needed for remediation of the contaminated material. The characterization work included additional field sampling, laboratory measurements, and numerical flow and transport modeling. Laboratory measurements of sediment physical, hydraulic, and geochemical properties were performed by Pacific Northwest National Laboratory (PNNL) and others. Geochemical modeling and subsurface flow and transport modeling also were performed by PNNL to evaluate the possible extent of contamination in the unsaturated sand and gravel sediments underlying the building. Historical records suggest that the concentrated 137Cs- and 90Sr-bearing liquid wastes that were spilled in B-Cell were likely from a glass-waste repository testing program associated with the Federal Republic of Germany (FRG). Incomplete estimates of the aqueous chemical composition (no anion data provided) of the FRG waste solutions were entered into a geochemical speciation model and were charge balanced with nitrate to estimate waste composition. Additional geochemical modeling was performed to evaluate reactions of the waste stream with the concrete foundation of the building prior to the stream entering the subsurface.
Numerical simulation studies of the long-term evolution of a CO2 plume in a saline aquifer with a sloping caprock
Pruess, K.; Nordbotten, J.
We have used the TOUGH2-MP/ECO2N code to perform numerical simulation studies of the long-term behavior of CO{sub 2} stored in an aquifer with a sloping caprock. This problem is of great practical interest, and is very challenging due to the importance of multi-scale processes. We find that the mechanism of plume advance is different from what is seen in a forced immiscible displacement, such as gas injection into a water-saturated medium. Instead of pushing the water forward, the plume advances because the vertical pressure gradients within the plume are smaller than hydrostatic, causing the groundwater column to collapse ahead of the plume tip. Increased resistance to vertical flow of aqueous phase in anisotropic media leads to reduced speed of updip plume advancement. Vertical equilibrium models that ignore effects of vertical flow will overpredict the speed of plume advancement. The CO{sub 2} plume becomes thinner as it advances, yet the speed of advancement remains constant over the entire simulation period of up to 400 years, with migration distances of more than 80 km. Our simulations include dissolution of CO{sub 2} into the aqueous phase and associated density increase, and molecular diffusion. However, no convection develops in the aqueous phase because it is suppressed by the relatively coarse (sub-) horizontal gridding required in a regional-scale model. A first crude sub-grid-scale model was developed to represent convective enhancement of CO{sub 2} dissolution. This process is found to greatly reduce the thickness of the CO{sub 2} plume, but, for the parameters used in our simulations, does not affect the speed of plume advancement.
Using the OECD/NRC Pressurized Water Reactor Main Steam Line Break Benchmark to Study Current Numerical and Computational Issues of Coupled Calculations
Ivanov, Kostadin N.; Todorova, Nadejda K.; Sartori, Enrico
Incorporating full three-dimensional (3-D) models of the reactor core into system transient codes allows for a 'best-estimate' calculation of interactions between the core behavior and plant dynamics. Recent progress in computer technology has made the development of coupled thermal-hydraulic (T-H) and neutron kinetics code systems feasible. Considerable efforts have been made in various countries and organizations in this direction. Appropriate benchmarks need to be developed that will permit testing of two particular aspects. One is to verify the capability of the coupled codes to analyze complex transients with coupled core-plant interactions. The second is to test fully the neutronics/T-H coupling. One such benchmark is the Pressurized Water Reactor Main Steam Line Break (MSLB) Benchmark problem. It was sponsored by the Organization for Economic Cooperation and Development, U.S. Nuclear Regulatory Commission, and The Pennsylvania State University. The benchmark problem uses a 3-D neutronics core model that is based on real plant design and operational data for the Three Mile Island Unit 1 nuclear power plant. The purpose of this benchmark is threefold: to verify the capability of system codes for analyzing complex transients with coupled core-plant interactions; to test fully the 3-D neutronics/T-H coupling; and to evaluate discrepancies among the predictions of coupled codes in best-estimate transient simulations. The purposes of the benchmark are met through the application of three exercises: a point kinetics plant simulation (exercise 1), a coupled 3-D neutronics/core T-H evaluation of core response (exercise 2), and a best-estimate coupled core-plant transient model (exercise 3).In this paper we present the three exercises of the MSLB benchmark, and we summarize the findings of the participants with regard to the current numerical and computational issues of coupled calculations. In addition, this paper reviews in some detail the sensitivity studies on exercises 2 and 3 performed by the benchmark team using the coupled code TRAC-PF1/NEM. The purpose of these supporting studies was to aid participants in developing their models.
Use of ARM observations and numerical models to determine radiative and latent heating profiles of mesoscale convective systems for general circulation models
Tao, Wei-Kuo; Houze, Robert, A., Jr.; Zeng, Xiping
This three-year project, in cooperation with Professor Bob Houze at University of Washington, has been successfully finished as planned. Both ARM (the Atmospheric Radiation Measurement Program) data and cloud-resolving model (CRM) simulations were used to identify the water budgets of clouds observed in two international field campaigns. The research results achieved shed light on several key processes of clouds in climate change (or general circulation models), which are summarized below. 1. Revealed the effect of mineral dust on mesoscale convective systems (MCSs) Two international field campaigns near a desert and a tropical coast provided unique data to drive and evaluate CRM simulations, which are TWP-ICE (the Tropical Warm Pool International Cloud Experiment) and AMMA (the African Monsoon Multidisciplinary Analysis). Studies of the two campaign data were contrasted, revealing that much mineral dust can bring about large MCSs via ice nucleation and clouds. This result was reported as a PI presentation in the 3rd ASR Science Team meeting held in Arlington, Virginia in March 2012. A paper on the studies was published in the Journal of the Atmospheric Sciences (Zeng et al. 2013). 2. Identified the effect of convective downdrafts on ice crystal concentration Using the large-scale forcing data from TWP-ICE, ARM-SGP (the Southern Great Plains) and other field campaigns, Goddard CRM simulations were carried out in comparison with radar and satellite observations. The comparison between model and observations revealed that convective downdrafts could increase ice crystal concentration by up to three or four orders, which is a key to quantitatively represent the indirect effects of ice nuclei, a kind of aerosol, on clouds and radiation in the Tropics. This result was published in the Journal of the Atmospheric Sciences (Zeng et al. 2011) and summarized in the DOE/ASR Research Highlights Summaries (see http://www.arm.gov/science/highlights/RMjY5/view). 3. Used radar observations to evaluate model simulations In cooperation with Profs. Bob Houze at University of Washington and Steven Rutledge at Colorado State University, numerical model results were evaluated with observations from W- and C-band radars and CloudSat/TRMM satellites. These studies exhibited some shortcomings of current numerical models, such as too little of thin anvil clouds, directing the future improvement of cloud microphysics parameterization in CRMs. Two papers of Powell et al (2012) and Zeng et al. (2013), summarizing these studies, were published in the Journal of the Atmospheric Sciences. 4. Analyzed the water budgets of MCSs Using ARM data from TWP-ICE, ARM-SGP and other field campaigns, the Goddard CRM simulations were carried out to analyze the water budgets of clouds from TWP-ICE and AMMA. The simulations generated a set of datasets on clouds and radiation, which are available http://cloud.gsfc.nasa.gov/. The cloud datasets were available for modelers and other researchers aiming to improve the representation of cloud processes in multi-scale modeling frameworks, GCMs and climate models. Special datasets, such as 3D cloud distributions every six minutes for TWP-ICE, were requested and generated for ARM/ASR investigators. Data server records show that 86,206 datasets were downloaded by 120 users between April of 2010 and January of 2012. 5. MMF simulations The Goddard MMF (multi-scale modeling framework) has been improved by coupling with the Goddard Land Information System (LIS) and the Goddard Earth Observing System Model, Version 5 (GOES5). It has also been optimized on NASA HEC supercomputers and can be run over 4000 CPUs. The improved MMF with high horizontal resolution (1 x 1 degree) is currently being applied to cases covering 2005 and 2006. The results show that the spatial distribution pattern of precipitation rate is well simulated by the MMF through comparisons with satellite retrievals from the CMOPRH and GPCP data sets. In addition, the MMF results were compared with three reanalyses (MERRA, ERA-Interim and CFSR). Although the MMF tends to produce a higher precipitation rate over some topical regions, it actually well captures the variations in the zonal and meridional means. Among the three reanalyses, ERA-Interim seems to have values close to those of the satellite retrievals especially for GPCP. It is interesting to note that the MMF obtained the best results in the rain forest of Africa even better than those of CFSR and ERA-Interim, when compared to CMORPH. MERRA fails to capture the precipitation in this region. We are now collaborating with Steve Rutledge (CSU) to validate the model results for AMMA 6. MC3E and the diurnal variation of precipitation processes The Midlatitude Continental Convective Clouds Experiment (MC3E) was a joint field campaign between the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility and the NASA Global Precipitation Measurement (GPM) mission Ground Validation (GV) program. It took place in central Oklahoma during the period April 22 _ June 6, 2011. Some of its major objectives involve the use of CRMs in precipitation science such as: (1) testing the fidelity of CRM simulations via intensive statistical comparisons between simulated and observed cloud properties and latent heating fields for a variety of case types, (2) establishing the limits of CRM space-time integration capabilities for quantitative precipitation estimates, and (3) supporting the development and refinement of physically-based GMI, DPR, and DPR-GMI combined retrieval algorithms using ground-based GPM GV Ku-Ka band radar and CRM simulations. The NASA unified WRF model (nu-WRF) was used for real time forecasts during the field campaign, and ten precipitation events were selected for post mission simulations. These events include well-organized squall lines, scattered storms and quasi-linear storms. A paper focused on the diurnal variation of precipitation will be submitted in September 2012. The major highlights are as follows: a. The results indicate that NU-WRF model could capture observed diurnal variation of rainfall (composite not individual); b. NU-WRF model could simulate two different types (propagating and local type) of the diurnal variation of rainfall; c. NU-WRF model simulation show very good agreement with observation in terms of precipitation pattern (linear MCS), radar reflectivity (a second low peak âÃÂàshallow convection); d. NU-WRF model simulation indicates that the cool-pool dynamic is the main physical process for MCS propagation speed; e. Surface heat fluxes (including land surface model and initial surface condition) do not play a major role in phase of diurnal variation (change rainfall amount slightly); f. Terrain effect is important for initial stage of MCS (rainfall is increased and close to observation by increasing the terrain height that is also close to observed); g. Diurnal variation of radiation is not important for the simulated variation of rainfall. Publications: Zeng, X., W.-K. Tao, S. Powell, R. Houze, Jr., P. Ciesielski, N. Guy, H. Pierce and T. Matsui, 2012: A comparison of the water budgets between clouds from AMMA and TWP-ICE. J. Atmos. Sci., 70, 487-503. Powell, S. W., R. A. Houze, Jr., A. Kumar, and S. A. McFarlane, 2012: Comparison of simulated and observed continental tropical anvil clouds and their radiative heating profiles. J. Atmos. Sci., 69, 2662-2681. Zeng, X., W.-K. Tao, T. Matsui, S. Xie, S. Lang, M. Zhang, D. Starr, and X. Li, 2011: Estimating the Ice Crystal Enhancement Factor in the Tropics. J. Atmos. Sci., 68, 1424-1434. Conferences: Zeng, X., W.-K. Tao, S. Powell, R. Houze, Jr., P. Ciesielski, N. Guy, H. Pierce and T. Matsui, 2012: Comparison of water budget between AMMA and TWP-ICE clouds. The 3rd Annual ASR Science Team Meeting. Arlington, Virginia, Mar. 12-16, 2012. Zeng, X., W.-K. Tao, S. Powell, R. A. Houze Jr., and P. Ciesielski, 2011: Comparing the water budgets between AMMA and TWP-ICE clouds. Fall 2011 ASR Working Group Meeting. Annapolis, September 12-16, 2011. Zeng, X. et al., 2011: Introducing ice nuclei into turbulence parameterizations in CRMs. Fall 2011 ASR Working Group Meeting. Annapolis, September 12-16, 2011.
Numerical Differentiation of Noisy, Nonsmooth Data
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Chartrand, Rick
We consider the problem of differentiating a function specified by noisy data. Regularizing the differentiation process avoids the noise amplification of finite-difference methods. We use total-variation regularization, which allows for discontinuous solutions. The resulting simple algorithm accurately differentiates noisy functions, including those which have a discontinuous derivative.
Numerical Cosmology: Building a Dynamical Universe
Garrison, David
In this talk I discuss an often over-looked aspect of most cosmological models, dynamical interactions caused by gravitational waves. I begin by reviewing our current state of cosmological knowledge and gravitational waves. Then, I review work done to understand the nature of primordial magnetic fields. Finally, I combine the ideas of gravitational wave theory and plasma turbulence to develop a new theory of cosmic structure formation. Eventually, this work could help to explain the distribution of mass-energy in the observable universe as well as the anisotropies in the Cosmic Microwave Background without a heavy dependence on dark matter. This work seeks to explain how the dense, hot, turbulent plasma of protons, neutrons, electrons and neutrinos cooled in the presence of gravitational waves to form into structures and develop a statistical mechanics to describe this dynamical system.
Template:IsNumeric | Open Energy Information
This template will output either a 1 or a 0, and is intended for use with Parser Functions such as if: .. or expr: .. to perform logical or mathematical...
MEMORANDUM OF UNDERSTANDING Between The Numerical Algorithms...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Group Ltd (NAG) with a registered address at: Wilkinson House, Jordan hill Road, Oxford, UK and the University of California, as Management and Operating Contractor for...
Numerical evaluation of effective unsaturated hydraulic properties...
Office of Scientific and Technical Information (OSTI)
The simulation domain can be chosen as the scale of block size in the field-scale modeling. The effective conductivity is computed from the steady-state flux at the lower boundary ...
The Numerical Library for Differential Algebra
Energy Science and Technology Software Center (OSTI)
Nonlinear single-particle dynamics in storage rings. Extraction and analysis of one-turn map for storage rings.
Interpolator for numerically controlled machine tools
Bowers, Gary L.; Davenport, Clyde M.; Stephens, Albert E.
A digital differential analyzer circuit is provided that depending on the embodiment chosen can carry out linear, parabolic, circular or cubic interpolation. In the embodiment for parabolic interpolations, the circuit provides pulse trains for the X and Y slide motors of a two-axis machine to effect tool motion along a parabolic path. The pulse trains are generated by the circuit in such a way that parabolic tool motion is obtained from information contained in only one block of binary input data. A part contour may be approximated by one or more parabolic arcs. Acceleration and initial velocity values from a data block are set in fixed bit size registers for each axis separately but simultaneously and the values are integrated to obtain the movement along the respective axis as a function of time. Integration is performed by continual addition at a specified rate of an integrand value stored in one register to the remainder temporarily stored in another identical size register. Overflows from the addition process are indicative of the integral. The overflow output pulses from the second integration may be applied to motors which position the respective machine slides according to a parabolic motion in time to produce a parabolic machine tool motion in space. An additional register for each axis is provided in the circuit to allow "floating" of the radix points of the integrand registers and the velocity increment to improve position accuracy and to reduce errors encountered when the acceleration integrand magnitudes are small when compared to the velocity integrands. A divider circuit is provided in the output of the circuit to smooth the output pulse spacing and prevent motor stall, because the overflow pulses produced in the binary addition process are spaced unevenly in time. The divider has the effect of passing only every nth motor drive pulse, with n being specifiable. The circuit inputs (integrands, rates, etc.) are scaled to give exactly n times the desired number of pulses out, in order to compensate for the divider.
Numerical and laboratory simulations of auroral acceleration
Gunell, H.; De Keyser, J.; Mann, I.
The existence of parallel electric fields is an essential ingredient of auroral physics, leading to the acceleration of particles that give rise to the auroral displays. An auroral flux tube is modelled using electrostatic Vlasov simulations, and the results are compared to simulations of a proposed laboratory device that is meant for studies of the plasma physical processes that occur on auroral field lines. The hot magnetospheric plasma is represented by a gas discharge plasma source in the laboratory device, and the cold plasma mimicking the ionospheric plasma is generated by a Q-machine source. In both systems, double layers form with plasma density gradients concentrated on their high potential sides. The systems differ regarding the properties of ion acoustic waves that are heavily damped in the magnetosphere, where the ion population is hot, but weakly damped in the laboratory, where the discharge ions are cold. Ion waves are excited by the ion beam that is created by acceleration in the double layer in both systems. The efficiency of this beam-plasma interaction depends on the acceleration voltage. For voltages where the interaction is less efficient, the laboratory experiment is more space-like.
Numerical Investigation of Advanced Compressor Technologies
Broader source: Energy.gov [DOE]
The purpose of the work was to explore advanced boost technologies to support clean diesel combustion, such as HCCI/LTC applications.
Accurate Numerical Simulations Of Chemical Phenomena Involved...
Office of Scientific and Technical Information (OSTI)
Authors: Harrison, R.J. ; Vzquez-Mayagoitia, A. ; Hammond, J.R. 1 ; Stony Brook University) 2 + Show Author Affiliations (LCF) LCF ( Publication Date: 2013-09-16 OSTI ...
Numerical Estimation of the Spent Fuel Ratio
Lindgren, Eric R.; Durbin, Samuel; Wilke, Jason; Margraf, J.; Dunn, T. A.
Sabotage of spent nuclear fuel casks remains a concern nearly forty years after attacks against shipment casks were first analyzed and has a renewed relevance in the post-9/11 environment. A limited number of full-scale tests and supporting efforts using surrogate materials, typically depleted uranium dioxide (DUO 2 ), have been conducted in the interim to more definitively determine the source term from these postulated events. However, the validity of these large- scale results remain in question due to the lack of a defensible spent fuel ratio (SFR), defined as the amount of respirable aerosol generated by an attack on a mass of spent fuel compared to that of an otherwise identical surrogate. Previous attempts to define the SFR in the 1980's have resulted in estimates ranging from 0.42 to 12 and include suboptimal experimental techniques and data comparisons. Because of the large uncertainty surrounding the SFR, estimates of releases from security-related events may be unnecessarily conservative. Credible arguments exist that the SFR does not exceed a value of unity. A defensible determination of the SFR in this lower range would greatly reduce the calculated risk associated with the transport and storage of spent nuclear fuel in dry cask systems. In the present work, the shock physics codes CTH and ALE3D were used to simulate spent nuclear fuel (SNF) and DUO 2 targets impacted by a high-velocity jet at an ambient temperature condition. These preliminary results are used to illustrate an approach to estimate the respirable release fraction for each type of material and ultimately, an estimate of the SFR. This page intentionally blank
Numerical simulation of undersea cable dynamics
Ablow, C.M.; Schechter, S.
A fully three-dimensional code has been written to compute the motion of a towed cable. The code is based on a robust and stable finite difference approximation to the differential equations derived from basic dynamics. A 3500-ft cable pulled at 18.5 knots (hr/sup -1/) through a circular turn of 700 yd radius has been computed in about half of the real time of the maneuver. The computed displacements are close to the measured ones; the changes in depth are within 2%.
Total-Variation Regularized Numerical Differentiation, Version...
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noise amplification. Licensing Status: Available for Express Licensing (?). This software is open source. To download, please visit the TVDif website. For more information,...
Numerical description of cavitation on axisymmetric bodies
Hickox, C.E.; Hailey, C.E.; Wolfe, W.P.; Watts, H.A.; Gross, R.J.; Ingber, M.S.
This paper reports on ongoing studies which are directed toward the development of predictive techniques for the modeling of steady cavitation on axisymmetric bodies. The primary goal of the modeling effort is the prediction of cavity shape and pressure distribution from which forces and moments can be calculated. Here we present an overview of the modeling techniques developed and compare predictions with experimental data obtained from water tunnel tests for both limited and supercavitation. 14 refs., 4 figs.
Accurate Numerical Simulations Of Chemical Phenomena Involved...
Office of Scientific and Technical Information (OSTI)
A paper copy of this document is also available for sale to the public from the National Technical Information Service, Springfield, VA at www.ntis.gov. Authors: Harrison, R.J. ; ...
High-Resolution Numerical Simulation and Analysis of Mach Reflection Structures in Detonation Waves in Low-Pressure H2�O2�Ar Mixtures: A Summary of Results Obtained with the Adaptive Mesh Refinement Framework AMROC
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Deiterding, Ralf
Numerical simulation can be key to the understanding of the multidimensional nature of transient detonation waves. However, the accurate approximation of realistic detonations is demanding as a wide range of scales needs to be resolved. This paper describes a successful solution strategy that utilizes logically rectangular dynamically adaptive meshes. The hydrodynamic transport scheme and the treatment of the nonequilibrium reaction terms are sketched. A ghost fluid approach is integrated into the method to allow for embedded geometrically complex boundaries. Large-scale parallel simulations of unstable detonation structures of Chapman-Jouguet detonations in low-pressure hydrogen-oxygen-argon mixtures demonstrate the efficiency of the described techniquesmore��in practice. In particular, computations of regular cellular structures in two and three space dimensions and their development under transient conditions, that is, under diffraction and for propagation through bends are presented. Some of the observed patterns are classified by shock polar analysis, and a diagram of the transition boundaries between possible Mach reflection structures is constructed.��less
Image reconstruction of single photon emission computed tomography (SPECT) on a pebble bed reactor (PBR) using expectation maximization and exact inversion algorithms: Comparison study by means of numerical phantom
Razali, Azhani Mohd Abdullah, Jaafar
Single Photon Emission Computed Tomography (SPECT) is a well-known imaging technique used in medical application, and it is part of medical imaging modalities that made the diagnosis and treatment of disease possible. However, SPECT technique is not only limited to the medical sector. Many works are carried out to adapt the same concept by using high-energy photon emission to diagnose process malfunctions in critical industrial systems such as in chemical reaction engineering research laboratories, as well as in oil and gas, petrochemical and petrochemical refining industries. Motivated by vast applications of SPECT technique, this work attempts to study the application of SPECT on a Pebble Bed Reactor (PBR) using numerical phantom of pebbles inside the PBR core. From the cross-sectional images obtained from SPECT, the behavior of pebbles inside the core can be analyzed for further improvement of the PBR design. As the quality of the reconstructed image is largely dependent on the algorithm used, this work aims to compare two image reconstruction algorithms for SPECT, namely the Expectation Maximization Algorithm and the Exact Inversion Formula. The results obtained from the Exact Inversion Formula showed better image contrast and sharpness, and shorter computational time compared to the Expectation Maximization Algorithm.
Numerical simulation of the environmental impact of hydraulic fracturing of tight/shale gas reservoirs on near-surface groundwater: Background, base cases, shallow reservoirs, short-term gas, and water transport
Reagan, Matthew T.; Moridis, George J.; Keen, Noel D.; Johnson, Jeffrey N.
Hydrocarbon production from unconventional resources and the use of reservoir stimulation techniques, such as hydraulic fracturing, has grown explosively over the last decade. However, concerns have arisen that reservoir stimulation creates significant environmental threats through the creation of permeable pathways connecting the stimulated reservoir with shallower freshwater aquifers, thus resulting in the contamination of potable groundwater by escaping hydrocarbons or other reservoir fluids. This study investigates, by numerical simulation, gas and water transport between a shallow tight-gas reservoir and a shallower overlying freshwater aquifer following hydraulic fracturing operations, if such a connecting pathway has been created. We focus on two general failure scenarios: (1) communication between the reservoir and aquifer via a connecting fracture or fault and (2) communication via a deteriorated, preexisting nearby well. We conclude that the key factors driving short-term transport of gas include high permeability for the connecting pathway and the overall volume of the connecting feature. Production from the reservoir is likely to mitigate release through reduction of available free gas and lowering of reservoir pressure, and not producing may increase the potential for release. We also find that hydrostatic tight-gas reservoirs are unlikely to act as a continuing source of migrating gas, as gas contained within the newly formed hydraulic fracture is the primary source for potential contamination. Such incidents of gas escape are likely to be limited in duration and scope for hydrostatic reservoirs. Reliable field and laboratory data must be acquired to constrain the factors and determine the likelihood of these outcomes.
High-Resolution Numerical Simulation and Analysis of Mach Reflection Structures in Detonation Waves in Low-Pressure H 2 –O 2 –Ar Mixtures: A Summary of Results Obtained with the Adaptive Mesh Refinement Framework AMROC
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Deiterding, Ralf
Numerical simulation can be key to the understanding of the multidimensional nature of transient detonation waves. However, the accurate approximation of realistic detonations is demanding as a wide range of scales needs to be resolved. This paper describes a successful solution strategy that utilizes logically rectangular dynamically adaptive meshes. The hydrodynamic transport scheme and the treatment of the nonequilibrium reaction terms are sketched. A ghost fluid approach is integrated into the method to allow for embedded geometrically complex boundaries. Large-scale parallel simulations of unstable detonation structures of Chapman-Jouguet detonations in low-pressure hydrogen-oxygen-argon mixtures demonstrate the efficiency of the described techniquesmore » in practice. In particular, computations of regular cellular structures in two and three space dimensions and their development under transient conditions, that is, under diffraction and for propagation through bends are presented. Some of the observed patterns are classified by shock polar analysis, and a diagram of the transition boundaries between possible Mach reflection structures is constructed.« less
Numerical simulation of the environmental impact of hydraulic fracturing of tight/shale gas reservoirs on near-surface groundwater: Background, base cases, shallow reservoirs, short-term gas, and water transport
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Reagan, Matthew T.; Moridis, George J.; Keen, Noel D.; Johnson, Jeffrey N.
Hydrocarbon production from unconventional resources and the use of reservoir stimulation techniques, such as hydraulic fracturing, has grown explosively over the last decade. However, concerns have arisen that reservoir stimulation creates significant environmental threats through the creation of permeable pathways connecting the stimulated reservoir with shallower freshwater aquifers, thus resulting in the contamination of potable groundwater by escaping hydrocarbons or other reservoir fluids. This study investigates, by numerical simulation, gas and water transport between a shallow tight-gas reservoir and a shallower overlying freshwater aquifer following hydraulic fracturing operations, if such a connecting pathway has been created. We focus on twomore » general failure scenarios: (1) communication between the reservoir and aquifer via a connecting fracture or fault and (2) communication via a deteriorated, preexisting nearby well. We conclude that the key factors driving short-term transport of gas include high permeability for the connecting pathway and the overall volume of the connecting feature. Production from the reservoir is likely to mitigate release through reduction of available free gas and lowering of reservoir pressure, and not producing may increase the potential for release. We also find that hydrostatic tight-gas reservoirs are unlikely to act as a continuing source of migrating gas, as gas contained within the newly formed hydraulic fracture is the primary source for potential contamination. Such incidents of gas escape are likely to be limited in duration and scope for hydrostatic reservoirs. Reliable field and laboratory data must be acquired to constrain the factors and determine the likelihood of these outcomes.« less
Magmatic History Of The East Rift Zone Of Kilauea Volcano, Hawaii...
throughout the section demonstrate that these lavas have the same compositional range as historical Kilauea lavas and that there was no systematic geochemical variation for the...
Preliminary geologic map of the Sleeping Butte volcanic centers
Crowe, B.M.; Perry, F.V.
The Sleeping Butte volcanic centers comprise two, spatially separate, small-volume (<0.1 km{sup 3}) basaltic centers. The centers were formed by mildly explosive Strombolian eruptions. The Little Black Peak cone consists of a main scoria cone, two small satellitic scoria mounds, and associated lobate lava flows that vented from sites at the base of the scoria cone. The Hidden Cone center consists of a main scoria cone that developed on the north-facing slope of Sleeping Butte. The center formed during two episodes. The first included the formation of the main scoria cone, and venting of aa lava flows from radial dikes at the northeast base of the cone. The second included eruption of scoria-fall deposits from the summit crater. The ages of the Little Black Peak and the Hidden Cone are estimated to be between 200 to 400 ka based on the whole-rock K-Ar age determinations with large analytical undertainty. This age assignment is consistent with qualitative observations of the degree of soil development and geomorphic degradation of volcanic landforms. The younger episode of the Hidden Cone is inferred to be significantly younger and probably of Late Pleistocene or Holocene age. This is based on the absence of cone slope rilling, the absence of cone-slope apron deposits, and erosional unconformity between the two episodes, the poor horizon- development of soils, and the presence of fall deposits on modern alluvial surfaces. Paleomagnetic data show that the centers record similar but not identical directions of remanent magnetization. Paleomagnetic data have not been obtained for the youngest deposits of the Hidden Cone center. Further geochronology, soils, geomorphic, and petrology studies are planned of the Sleeping Butte volcanic centers 20 refs., 3 figs.
Geologic Controls of Hydraulic Conductivity in the Snake River Plain Aquifer At and Near the Idaho National Engineering and Environmental Laboratory, Idaho
S. R. Anderson; M. A. Kuntz; L. C. Davis
The effective hydraulic conductivity of basalt and interbedded sediment that compose the Snake River Plain aquifer at and near the Idaho National Engineering and Environmental Laboratory (INEEL) ranges from about 1.0x10 -2 to 3.2x10 4 feet per day (ft/d). This six-order-of-magnitude range of hydraulic conductivity was estimated from single-well aquifer tests in 114 wells, and is attributed mainly to the physical characteristics and distribution of basalt flows and dikes. Hydraulic conductivity is greatest in thin pahoehoe flows and near-vent volcanic deposits. Hydraulic conductivity is least in flows and deposits cut by dikes. Estimates of hydraulic conductivity at and near the INEEL are similar to those measured in similar volcanic settings in Hawaii. The largest variety of rock types and the greatest range of hydraulic conductivity are in volcanic rift zones, which are characterized by numerous aligned volcanic vents and fissures related to underlying dikes. Three broad categories of hydraulic conductivity corresponding to six general types of geologic controls can be inferred from the distribution of wells and vent corridors. Hydraulic conductivity of basalt flows probably is increased by localized fissures and coarse mixtures of interbedded sediment, scoria, and basalt rubble. Hydraulic conductivity of basalt flows is decreased locally by abundant alteration minerals of probable hydrothermal origin. Hydraulic conductivity varies as much as six orders of magnitude in a single vent corridor and varies from three to five orders of magnitude within distances of 500 to 1,000 feet. Abrupt changes in hydraulic conductivity over short distances suggest the presence of preferential pathways and local barriers that may greatly affect the movement of ground water and the dispersion of radioactive and chemical wastes downgradient from points of waste disposal.
Geologic and geophysical investigations of the Zuni-Bandera volcanic field, New Mexico
Ander, M.E.; Heiken, G.; Eichelberger, J.; Laughlin, A.W.; Huestis, S.
A positive, northeast-trending gravity anomaly, 90 km long and 30 km wide, extends southwest from the Zuni uplift, New Mexico. The Zuni-Bandera volcanic field, an alignment of 74 basaltic vents, is parallel to the eastern edge of the anomaly. Lavas display a bimodal distribution of tholeiitic and alkalic compositions, and were erupted over a period from 4 Myr to present. A residual gravity profile taken perpendicular to the major axis of the anomaly was analyzed using linear programming and ideal body theory to obtain bounds on the density contrast, depth, and minimum thickness of the gravity body. Two-dimensionality was assumed. The limiting case where the anomalous body reaches the surface gives 0.1 g/cm/sup 3/ as the greatest lower bound on the maximum density contrast. If 0.4 g/cm/sup 3/ is taken as the geologically reasonable upper limit on the maximum density contrast, the least upper bound on the depth of burial is 3.5 km and minimum thickness is 2 km. A shallow mafic intrusion, emplaced sometime before Laramide deformation, is proposed to account for the positive gravity anomaly. Analysis of a magnetotelluric survey suggests that the intrusion is not due to recent basaltic magma associated with the Zuni-Bandera volcanic field. This large basement structure has controlled the development of the volcanic field; vent orientations have changed somewhat through time, but the trend of the volcanic chain followed the edge of the basement structure. It has also exhibited some control on deformation of the sedimentary section.
Thickness of surficial sediment at and near the Idaho National Engineering Laboratory, Idaho
Anderson, S.R.; Liszewski, M.J.; Ackerman, D.J.
Thickness of surficial sediment was determined from natural-gamma logs in 333 wells at and near the Idaho National Engineering Laboratory in eastern Idaho to provide reconnaissance data for future site-characterization studies. Surficial sediment, which is defined as the unconsolidated clay, silt, sand, and gravel that overlie the uppermost basalt flow at each well, ranges in thickness from 0 feet in seven wells drilled through basalt outcrops east of the Idaho Chemical Processing Plant to 313 feet in well Site 14 southeast of the Big Lost River sinks. Surficial sediment includes alluvial, lacustrine, eolian, and colluvial deposits that generally accumulated during the past 200 thousand years. Additional thickness data, not included in this report, are available from numerous auger holes and foundation borings at and near most facilities.
Comparison of effectiveness of sub-slab ventilation systems for indoor radon mitigation: A numerical study; Comparaison a l`aide d`un outil numerique de l`efficacite des systemes de ventilation active du sol limitant la penetration du radon dans l`habitat
Bonnefous, Y.C. |; Gadgil, A.J.; Allard, F.
The functioning of an active sub-slab ventilation system (SVS) has been studied successfully with the help of a previously evaluated numerical model. The parameters explored are the permeability of the sub-slab and the gravel placed beneath it, the amplitude of applied pressure at the installation point of the system and the functioning method: depressurization or pressurization. The mechanisms contributing to the success of the two systems are identified. This numerical study shows that the presence of a layer of gravel beneath the sub-slab considerably improves the performance of the SVS. Considered separately from the extremely permeable sub-slabs, the depressurization systems perform better than the pressurization systems. 17 refs. [Francais] Le fonctionnement des Systemes de Ventilation active du Sol (SVS) a ete etudie a l`aide d`un outil numerique precedemment evalue avec succes. Les parametres explores sont les permeabilites du sol et du gravier place sous plancher bas, l`amplitude de la pression appliquee au point d`installation du systeme, et le mode de fonctionnement: Depressurisation ou Pressurisation. Les mecanismes contribuant au succes des deux systemes sont identifies. Cette etude numerique montre que la presence d`une couche de gravier sous plancher bas ameliore de facon considerable les performances des SVS. Mis a part le cas des sols extremement permeables, les systemes de Depressurisation ont de meilleures performances que les systemes de Pressurisation. 17 refs.