text:
Cardiolipin effects on membrane structure and dynamics.
Unsay, Joseph D; Cosentino, Katia; Subburaj, Yamunadevi; García-Sáez, Ana J
Cardiolipin (CL) is a lipid with unique properties solely found in membranes generating electrochemical potential. It contains four acyl chains and tends to form nonlamellar structures, which are believed to play a key role in membrane structure and function. Indeed, CL alterations have been linked to disorders such as Barth syndrome and Parkinson's disease. However, the molecular effects of CL on membrane organization remain poorly understood. Here, we investigated the structure and physical properties of CL-containing membranes using confocal microscopy, fluorescence correlation spectroscopy, and atomic force microscopy. We found that the fluidity of the lipid bilayer increased and its mechanical stability decreased with CL concentration, indicating that CL decreases the packing of the membrane. Although the presence of up to 20% CL gave rise to flat, stable bilayers, the inclusion of 5% CL promoted the formation of flowerlike domains that grew with time. Surprisingly, we often observed two membrane-piercing events in atomic force spectroscopy experiments with CL-containing membranes. Similar behavior was observed with a lipid mixture mimicking the mitochondrial outer membrane composition. This suggests that CL promotes the formation of membrane areas with apposed double bilayers or nonlamellar structures, similar to those proposed for mitochondrial contact sites. All together, we show that CL induces membrane alterations that support the role of CL in facilitating bilayer structure remodeling, deformation, and permeabilization.
Dynamical effects of QCD vacuum structure
International Nuclear Information System (INIS)
Ferreira, Erasmo
The role of the QCD vacuum structure in the determination of the properties of states and processes occurring in the confinement regime of QCD is reviewed. The finite range of the vacuum correlations is discussed, and an analytical form is suggested for the correlation functions. The role of the vacuum quantum numbers in the phenomenology of high-energy scattering is reviewed. The vacuum correlation model of non-perturbative QCD is mentioned as a bridge between the fundamental theory and the description of the experiments. (author). 13 refs., 1 fig
International Nuclear Information System (INIS)
Kim, Du Gi
This book introduces summary of structural dynamics, the reason of learning of structural dynamics, single-degree of freedom system, simple harmonic vibration and application, numerical analysis method, such as time domain and frequency domain and nonlinear system, multi-degree of freedom system random vibration over discrete distribution, continuous distribution and extreme value distribution, circumstance vibration, earth quake vibration, including input earthquake, and earthquake-resistant design and capacity spectrum method, wind oscillation wave vibration, vibration control and maintenance control.
Polarizability effects on the structure and dynamics of ionic liquids
Energy Technology Data Exchange (ETDEWEB)
Cavalcante, Ary de Oliveira, E-mail: firstname.lastname@example.com [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil); Departamento de Química, Universidade Federal do Amazonas, Av. Rodrigo Octávio, 6200, Coroado, Manaus, AM (Brazil); Ribeiro, Mauro C. C. [Laboratório de Espectroscopia Molecular, Instituto de Química, Universidade de São Paulo, São Paulo, SP C.P. 26077, 05513 970 São Paulo, SP (Brazil); Skaf, Munir S. [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil)
Polarization effects on the structure and dynamics of ionic liquids are investigated using molecular dynamics simulations. Four different ionic liquids were simulated, formed by the anions Cl{sup −} and PF{sub 6}{sup −}, treated as single fixed charge sites, and the 1-n-alkyl-3-methylimidazolium cations (1-ethyl and 1-butyl-), which are polarizable. The partial charge fluctuation of the cations is provided by the electronegativity equalization model (EEM) and a complete parameter set for the cations electronegativity (χ) and hardness (J) is presented. Results obtained from a non-polarizable model for the cations are also reported for comparison. Relative to the fixed charged model, the equilibrium structure of the first solvation shell around the imidazolium cations shows that inclusion of EEM polarization forces brings cations closer to each other and that anions are preferentially distributed above and below the plane of the imidazolium ring. The polarizable model yields faster translational and reorientational dynamics than the fixed charges model in the rotational-diffusion regime. In this sense, the polarizable model dynamics is in better agreement with the experimental data.
Neighborhood structure effects on the Dynamic response of soil-structure interaction by harmonic analysis
Directory of Open Access Journals (Sweden)
Pan Dan-guang
Full Text Available For realizing the variation of structural dynamic characteristics due to neighbor structure in buildings group, the surface structure is idealized as an equivalent single degree of freedom system with rigid base whose site consists of a single homogeneous layer. Based on the model, a equivalent method on the equivalent seismic excitation is proposed. Then, the differences of seismic response and equivalent seismic input between soil - structure interaction (SSI system and structure -soil-structure interaction (SSSI system are investigated by harmonic analysis. The numerical results show that dynamic responses would be underestimated in SSSI system when the forcing frequencies are close to the Natural frequency if the effects of neighborhood structure were ignored. Neighborhood structure would make the translational displacement increase and rocking vibration decrease. When establishing an effective seismic input, it is necessary to consider the impact of inertia interaction.
Strømmen, Einar N
This book introduces to the theory of structural dynamics, with focus on civil engineering structures that may be described by line-like beam or beam-column type of systems, or by a system of rectangular plates. Throughout this book the mathematical presentation contains a classical analytical description as well as a description in a discrete finite element format, covering the mathematical development from basic assumptions to the final equations ready for practical dynamic response predictions. Solutions are presented in time domain as well as in frequency domain. Structural Dynamics starts off at a basic level and step by step brings the reader up to a level where the necessary safety considerations to wind or horizontal ground motion induced dynamic design problems can be performed. The special theory of the tuned mass damper has been given a comprehensive treatment, as this is a theory not fully covered elsewhere. For the same reason a chapter on the problem of moving loads on beams has been included.
Effect of support conditions on structural response under dynamic loading
International Nuclear Information System (INIS)
Akram, T.; Memon, S.A.
In design practice, dynamic structural analysis is carried out with base of structure considered as fixed; this means that foundation is placed on rock like soil material. While conducting this type of analyses the role of foundation and soil behaviour is totally neglected. The actions in members and loads transferred at foundation level obtained in this manner do not depict the true structural behaviour. FEM (Finite Element Methods) analysis where both superstructure and foundation soil are coupled together is quite complicated and expensive for design environments. A simplified model is required to depict dynamic response of structures with foundations based on flexible soils. The primary purpose of this research is to compare the superstructure dynamic responses of structural systems with fixed base to that of simple soil model base. The selected simple soil model is to be suitable for use in a design environment to give more realistic results. For this purpose building models are idealized with various heights and structural systems in both 2D (Two Dimensional) and 3D (Three Dimensional) space. These models are then provided with visco-elastic supports representing three soil bearing capacities and the analysis results are compared to that of fixed supports models. The results indicate that fixed support system underestimates natural time period of the structures. Dynamic behavior and force response of visco-elastic support is different from fixed support model. Fixed support models result in over designed base columns and under designed beams. (author)
Transient electromagnetic and dynamic structural analyses of a blanket structure with coupling effects
Energy Technology Data Exchange (ETDEWEB)
Koganezawa, K. [Mitsubishi Atomic Power Industries, Inc., Yokohama (Japan); Kushiyama, M. [Mitsubishi Atomic Power Industries, Inc., Yokohama (Japan); Niikura, S. [Mitsubishi Atomic Power Industries, Inc., Yokohama (Japan); Kudough, F. [Mitsubishi Atomic Power Industries, Inc., Yokohama (Japan); Onozuka, M. [Mitsubishi Heavy Industries Ltd., Yokohama (Japan); Koizumi, K. [Japan Atomic Energy Research Inst., Ibaraki (Japan)
Transient electromagnetic and dynamic structural analyses of a blanket structure in the fusion experimental reactor (FER) under a plasma disruption event and a vertical displacement event (VDE) have been performed to investigate the dynamic structural characteristics and the feasibility of the structure. Coupling effects between eddy currents and dynamic deflections have also been taken into account in these analyses. In this study, the inboard blanket was employed because of our computer memory limitation. A 1/192 segment model of a full torus was analyzed using the analytical code, EDDYCUFF. In the plasma disruption event, the maximum magnetic pressure caused by eddy currents and poloidal fields was 1.2MPa. The maximum stress intensity by this magnetic pressure was 114MPa. In the VDE, the maximum magnetic pressure was 2.4MPa and the maximum stress intensity was 253MPa. This stress was somewhat beyond the allowable stress limit. Therefore, the blanket structure and support design should be reviewed to reduce the stress to a suitable value. In summary, the dynamic structural characteristics and design issues of the blanket structure have been identified. (orig.).
Structural relaxation dynamics and annealing effects of sodium silicate glass.
Naji, Mohamed; Piazza, Francesco; Guimbretière, Guillaume; Canizarès, Aurélien; Vaills, Yann
Here we report high-precision measurements of structural relaxation dynamics in the glass transition range at the intermediate and short length scale for a strong sodium silicate glass during long annealing times. We evidence for the first time the heterogeneous dynamics at the intermediate range order by probing the acoustic longitudinal frequency in the GHz region by Brillouin light scattering spectroscopy. Or, from in-situ Raman measurements, we show that relaxation is indeed homogeneous at the interatomic length scale. Our results show that the dynamics at the intermediate range order contains two distinct relaxation time scales, a fast and a slow component, differing by about a 10-fold factor below Tg and approaching to one another past the glass transition. The slow relaxation time agrees with the shear relaxation time, proving that Si-O bond breaking constitutes the primary control of structural relaxation at the intermediate range order.
Metastable structures and size effects in small group dynamics.
Lauro Grotto, Rosapia; Guazzini, Andrea; Bagnoli, Franco
In his seminal works on group dynamics Bion defined a specific therapeutic setting allowing psychoanalytic observations on group phenomena. In describing the setting he proposed that the group was where his voice arrived. This physical limit was later made operative by assuming that the natural dimension of a therapeutic group is around 12 people. Bion introduced a theory of the group aspects of the mind in which proto-mental individual states spontaneously evolve into shared psychological states that are characterized by a series of features: (1) they emerge as a consequence of the natural tendency of (both conscious and unconscious) emotions to combine into structured group patterns; (2) they have a certain degree of stability in time; (3) they tend to alternate so that the dissolution of one is rapidly followed by the emergence of another; (4) they can be described in qualitative terms according to the nature of the emotional mix that dominates the state, in structural terms by a kind of typical "leadership" pattern, and in "cognitive" terms by a set of implicit expectations that are helpful in explaining the group behavior (i.e., the group behaves "as if" it was assuming that). Here we adopt a formal approach derived from Socio-physics in order to explore some of the structural and dynamic properties of this small group dynamics. We will described data from an analytic DS model simulating small group interactions of agents endowed with a very simplified emotional and cognitive dynamic in order to assess the following main points: (1) are metastable collective states allowed to emerge in the model and if so, under which conditions in the parameter space? (2) can these states be differentiated in structural terms? (3) to what extent are the emergent dynamic features of the systems dependent of the system size? We will finally discuss possible future applications of the quantitative descriptions of the interaction structure in the small group clinical setting.
Metastable structures and size effects in small group dynamics
Directory of Open Access Journals (Sweden)
Rosapia eLauro Grotto
Full Text Available In his seminal works on group dynamics Bion defined a specific therapeutic setting allowing psychoanalytic observations on group phenomena. In describing the setting he proposed that the group was where his voice arrived. This physical limit was later made operative by assuming that the natural dimension of a therapeutic group is around 12 people. Bion introduced a theory of the group aspects of the mind in which proto-mental individual states spontaneously evolve into shared psychological states that are characterized by a series of features: 1 they emerge as a consequence of the natural tendency of (both conscious and unconscious emotions to combine into structured group patterns; 2 they have a certain degree of stability in time; 3 they tend to alternate so that the dissolution of one is rapidly followed by the emergence of another; 4 they can be described in qualitative terms according to the nature of the emotional mix that dominates the state, in structural terms by a kind of typical 'leadership' pattern, and in 'cognitive' terms by a set of implicit expectations that are helpful in explaining the group behavior (i.e. the group behaves 'as if' it was assuming that…. Here we adopt a formal approach derived from Socio-physics in order to explore some of the structural and dynamic properties of this small group dynamics. We will described data from an analytic DS model simulating small group interactions of agents endowed with a very simplified emotional and cognitive dynamic in order to assess the following main points: 1 are metastable collective states allowed to emerge in the model and if so, under which conditions in the parameter space? 3 can these states be differentiated in structural terms? 3 to what extent are the emergent dynamic features of the systems dependent of the system size? We will finally discuss possible future applications of the quantitative descriptions of the interaction structure in the small group clinical
Modeling the Effect of Fluid-Structure Interaction on the Impact Dynamics of Pressurized Tank Cars
This paper presents a computational framework that : analyzes the effect of fluid-structure interaction (FSI) on the : impact dynamics of pressurized commodity tank cars using the : nonlinear dynamic finite element code ABAQUS/Explicit. : There exist...
Nonlinear dynamic analysis of framed structures including soil-structure interaction effects
International Nuclear Information System (INIS)
Mahmood, M.N.; Ahmed, S.Y.
The role of oil-structure interaction on seismic behavior of reinforced concrete structures is investigated in this paper. A finite element approach has been adopted to model the interaction system that consists of the reinforced concrete plane frame, soil deposit and interface which represents the frictional between foundation of the structure and subsoil. The analysis is based on the elasto-plastic behavior of the frame members (beams and columns) that is defined by the ultimate axial force-bending moment interaction curve, while the cap model is adopted to govern the elasto-plastic behavior of the soil material. Mohr-Coulomb failure law is used to determine the initiation of slippage at the interface, while the separation is assumed to determine the initiation of slippage at the interface, while the separation is assumed to occur when the stresses at the interface becomes tension stresses. New-Mark's Predictor-Corrector algorithm is adopted for nonlinear dynamic analysis. The main aim of present work is to evaluate the sensitivity of structures to different behavior of the soil and interface layer when subjected to an earthquake excitation. Predicted results of the dynamic analysis of the interaction system indicate that the soil-structure interaction problem can have beneficial effects on the structural behavior when different soil models (elastic and elasto-plastic) and interface conditions (perfect bond and permitted slip)are considered. (author)
Nonlinear dynamics of structures
Oller, Sergio
This book lays the foundation of knowledge that will allow a better understanding of nonlinear phenomena that occur in structural dynamics. This work is intended for graduate engineering students who want to expand their knowledge on the dynamic behavior of structures, specifically in the nonlinear field, by presenting the basis of dynamic balance in non‐linear behavior structures due to the material and kinematics mechanical effects. Particularly, this publication shows the solution of the equation of dynamic equilibrium for structure with nonlinear time‐independent materials (plasticity, damage and frequencies evolution), as well as those time dependent non‐linear behavior materials (viscoelasticity and viscoplasticity). The convergence conditions for the non‐linear dynamic structure solution are studied, and the theoretical concepts and its programming algorithms are presented.
Effectiveness of multi tuned liquid dampers with slat screens for reducing dynamic responses of structures
Nguyen, T. P.; Pham, D. T.; Ngo, K. T.
Reducing vibration in structures under lateral load always attracts many researchers in during pastime, hence the mainly purpose of paper analyzes effectiveness of multiple-tuned liquid dampers for reducing dynamic responses of structures under ground acceleration of earthquakes. In this study, the multi-tuned liquid damper with slat screens (M-TLDWSS) is considered in detail for analyzing dynamic response of multi-degrees of freedom structure due to earthquake, which is more different previous studies. Then, the general equation of motion of the structure and M-TLDWSS under ground acceleration of earthquake is established based on dynamic balance of principle and solved by numerical method in the time domain. The effects of characteristic parameters of M-TLDWSS on dynamic response of the structure are investigated. The results obtained in this study demonstrate that the M-TLDWSS has significantly effectiveness for reducing dynamic response of the structure.
DEFF Research Database (Denmark)
Nielsen, Søren R.K.
The present textbook has been written for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M.Sc. students in structural engineering.......The present textbook has been written for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M.Sc. students in structural engineering....
Electromagnetic effects on dynamics of high-beta filamentary structures
Energy Technology Data Exchange (ETDEWEB)
Lee, Wonjae; Krasheninnikov, Sergei I., E-mail: email@example.com [University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States); Umansky, Maxim V. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States); Angus, J. R. [Naval Research Laboratory, 4555 Overlook Avenue, Washington, DC 20375 (United States)
The impacts of the electromagnetic effects on blob dynamics are considered. Electromagnetic BOUT++ simulations on seeded high-beta blobs demonstrate that inhomogeneity of magnetic curvature or plasma pressure along the filament leads to bending of the blob filaments and the magnetic field lines due to increased propagation time of plasma current (Alfvén time). The bending motion can enhance heat exchange between the plasma facing materials and the inner scrape-off layer (SOL) region. The effects of sheath boundary conditions on the part of the blob away from the boundary are also diminished by the increased Alfvén time. Using linear analysis and BOUT++ simulations, it is found that electromagnetic effects in high temperature and high density plasmas reduce the growth rate of resistive drift wave instability when resistivity drops below a certain value. The blobs temperature decreases in the course of its motion through the SOL and so the blob can switch from the electromagnetic to the electrostatic regime where resistive drift waves become important again.
The effect of pure state structure on nonequilibrium dynamics
International Nuclear Information System (INIS)
Newman, C M; Stein, D L
Motivated by short-range Ising spin glasses, we review some rigorous results and their consequences for the relation between the number/nature of equilibrium pure states and nonequilibrium dynamics. Two of the consequences for spin glass dynamics following an instantaneous deep quench to a temperature with broken spin flip symmetry are: (1) almost all initial configurations lie on the boundary between the basins of attraction of multiple pure states; (2) unless there are uncountably many pure states with almost all pairs having zero overlap, there can be no equilibration to a pure state as time t → ∞. We discuss the relevance of these results to the difficulty of equilibration of spin glasses. We also review some results concerning the 'nature versus nurture' problem of whether the large-t behavior of both ferromagnets and spin glasses following a deep quench is determined more by the initial configuration (nature) or by the dynamics realization (nurture)
International Nuclear Information System (INIS)
Bhoje, S.B.
In view of thin walled large diameter shell structures with associated fluid effects, structural dynamics problems are very critical in a fast breeder reactor. Structural characteristics and consequent structural dynamics problems in typical pool type Fast Breeder Reactor are highlighted. A few important structural dynamics problems are pump induced as well as flow induced vibrations, seismic excitations, pressure transients in the intermediate heat exchangers and pipings due to a large sodium water reaction in the steam generator, and core disruptive accident loadings. The vibration problems which call for identification of excitation forces, formulation of special governing equations and detailed analysis with fluid structure interaction and sloshing effects, particularly for the components such as PSP, inner vessel, CP, CSRDM and TB are elaborated. Seismic design issues are presented in a comprehensive way. Other transient loadings which are specific to FBR, resulting from sodium-water reaction and core disruptive accident are highlighted. A few important results of theoretical as well as experimental works carried out for 500 MWe Prototype Fast Breeder Reactor (PFBR), in the domain of structural dynamics are presented. (author)
Effect of acetone accumulation on structure and dynamics of lipid membranes studied by molecular dynamics simulations.
Posokhov, Yevgen O; Kyrychenko, Alexander
The modulation of the properties and function of cell membranes by small volatile substances is important for many biomedical applications. Despite available experimental results, molecular mechanisms of action of inhalants and organic solvents, such as acetone, on lipid membranes remain not well understood. To gain a better understanding of how acetone interacts with membranes, we have performed a series of molecular dynamics (MD) simulations of a POPC bilayer in aqueous solution in the presence of acetone, whose concentration was varied from 2.8 to 11.2 mol%. The MD simulations of passive distribution of acetone between a bulk water phase and a lipid bilayer show that acetone favors partitioning into the water-free region of the bilayer, located near the carbonyl groups of the phospholipids and at the beginning of the hydrocarbon core of the lipid membrane. Using MD umbrella sampling, we found that the permeability barrier of ~0.5 kcal/mol exists for acetone partitioning into the membrane. In addition, a Gibbs free energy profile of the acetone penetration across a bilayer demonstrates a favorable potential energy well of -3.6 kcal/mol, located at 15-16Å from the bilayer center. The analysis of the structural and dynamics properties of the model membrane revealed that the POPC bilayer can tolerate the presence of acetone in the concentration range of 2.8-5.6 mol%. The accumulation of the higher acetone concentration of 11.2 mol% results, however, in drastic disordering of phospholipid packing and the increase in the membrane fluidity. The acetone molecules push the lipid heads apart and, hence, act as spacers in the headgroup region. This effect leads to the increase in the average headgroup area per molecule. In addition, the acyl tail region of the membrane also becomes less dense. We suggest, therefore, that the molecular mechanism of acetone action on the phospholipid bilayer has many common features with the effects of short chain alcohols, DMSO, and
Fundamentals of structural dynamics
Craig, Roy R
From theory and fundamentals to the latest advances in computational and experimental modal analysis, this is the definitive, updated reference on structural dynamics.This edition updates Professor Craig's classic introduction to structural dynamics, which has been an invaluable resource for practicing engineers and a textbook for undergraduate and graduate courses in vibrations and/or structural dynamics. Along with comprehensive coverage of structural dynamics fundamentals, finite-element-based computational methods, and dynamic testing methods, this Second Edition includes new and e
The effect of dynamical quark mass on the calculation of a strange quark star's structure
Institute of Scientific and Technical Information of China (English)
Gholam Hossein Bordbar; Babak Ziaei
We discuss the dynamical behavior of strange quark matter components,in particular the effects of density dependent quark mass on the equation of state of strange quark matter.The dynamical masses of quarks are computed within the Nambu-Jona-Lasinio model,then we perform strange quark matter calculations employing the MIT bag model with these dynamical masses.For the sake of comparing dynamical mass interaction with QCD quark-quark interaction,we consider the one-gluon-exchange term as the effective interaction between quarks for the MIT bag model.Our dynamical approach illustrates an improvement in the obtained equation of state values.We also investigate the structure of the strange quark star using TolmanOppenheimer-Volkoff equations for all applied models.Our results show that dynamical mass interaction leads to lower values for gravitational mass.
A structural dynamic factor model for the effects of monetary policy estimated by the EM algorithm
DEFF Research Database (Denmark)
Bork, Lasse
This paper applies the maximum likelihood based EM algorithm to a large-dimensional factor analysis of US monetary policy. Specifically, economy-wide effects of shocks to the US federal funds rate are estimated in a structural dynamic factor model in which 100+ US macroeconomic and financial time...... series are driven by the joint dynamics of the federal funds rate and a few correlated dynamic factors. This paper contains a number of methodological contributions to the existing literature on data-rich monetary policy analysis. Firstly, the identification scheme allows for correlated factor dynamics...... as opposed to the orthogonal factors resulting from the popular principal component approach to structural factor models. Correlated factors are economically more sensible and important for a richer monetary policy transmission mechanism. Secondly, I consider both static factor loadings as well as dynamic...
Structure, Reactivity and Dynamics
Indian Academy of Sciences (India)
Understanding structure, reactivity and dynamics is the core issue in chemical ... functional theory (DFT) calculations, molecular dynamics (MD) simulations, light- ... between water and protein oxygen atoms, the superionic conductors which ...
Effects of foundation modeling on dynamic response of a soil- structure system
International Nuclear Information System (INIS)
Chen, J.C.; Tabatabaie, M.
This paper presents the results of our investigation to evaluate the effectiveness of different foundation modeling techniques used in soil-structure interaction analyses. The study involved analysis of three different modeling techniques applied to two different foundation configurations (one with a circular and one with a square shape). The results of dynamic response of a typical nuclear power plant structure supported on such foundations are presented
Structural Dynamics Laboratory (SDL)
Federal Laboratory Consortium — Structural dynamic testing is performed to verify the survivability of a component or assembly when exposed to vibration stress screening, or a controlled simulation...
Using nonlinearity and spatiotemporal property modulation to control effective structural properties: dynamic rods
DEFF Research Database (Denmark)
Thomsen, Jon Juel; Blekhman, Iliya I.
What are the effective properties of a generally nonlinear material or structure, whose local properties are modulated in both space and time? It has been suggested to use spatiotemporal modulation of structural properties to create materials and structures with adjustable effective properties......, and to call these dynamic materials or spatiotemporal composites. Also, according to theoretical predictions, structural nonlinearity enhances the possibilities of achieving specific effective properties. For example, with an elastic rod having cubical elastic nonlinearities, it seems possible to control......, and exemplified. Then simple approximate analytical expressions are derived for the effective wave speed and natural frequencies for one-dimensional wave propagation in a nonlinear elastic rod, where the spatiotemporal modulation is imposed as a high-frequency standing wave, supposed to be given. Finally the more...
Anderson, James C
A concise introduction to structural dynamics and earthquake engineering Basic Structural Dynamics serves as a fundamental introduction to the topic of structural dynamics. Covering single and multiple-degree-of-freedom systems while providing an introduction to earthquake engineering, the book keeps the coverage succinct and on topic at a level that is appropriate for undergraduate and graduate students. Through dozens of worked examples based on actual structures, it also introduces readers to MATLAB, a powerful software for solving both simple and complex structural d
DEFF Research Database (Denmark)
Nielsen, Søren R.K.
This book has been prepared for the course on Computational Dynamics given at the 8th semester at the structural program in civil engineering at Aalborg University.......This book has been prepared for the course on Computational Dynamics given at the 8th semester at the structural program in civil engineering at Aalborg University....
Effects of supporting structures on dynamic response of nuclear power plant equipment and piping systems
International Nuclear Information System (INIS)
Stoykovich, M.
This paper presents the evaluation of the effects of supporting structures in dynamic analysis of equipment or piping systems, which involves formulations for determining reduced stiffness and mass matrices associated with the number of degrees of freedom corresponding to the support nodal points of a finite element model. Also, evaluation of a composite damping matrix associated with different damping properties of supporting structures, equipment, and piping systems is considered. Determination of spring constants, effective masses and mass moments of inertia, and damping values as fractions of critical damping on the basis of the theory of rigid bases on the surfaces of an elastic halfspace is demonstrated
The effect of glycosylation on the transferrin structure: A molecular dynamic simulation analysis.
Ghanbari, Z; Housaindokht, M R; Bozorgmehr, M R; Izadyar, M
Transferrins have been defined by the highly cooperative binding of iron and a carbonate anion to form a Fe-CO3-Tf ternary complex. As such, the layout of the binding site residues affects transferrin function significantly; In contrast to N-lobe, C-lobe binding site of the transferrin structure has been less characterized and little research which surveyed the interaction of carbonate with transferrin in the C-lobe binding site has been found. In the present work, molecular dynamic simulation was employed to gain access into the molecular level understanding of carbonate binding site and their interactions in each lobe. Residues responsible for carbonate binding of transferrin structure were pointed out. In addition, native human transferrin is a glycoprotein that two N-linked complex glycan chains located in the C-lobe. Usually, in the molecular dynamic simulation for simplifying, glycan is removed from the protein structure. Here, we explore the effect of glycosylation on the transferrin structure. Glycosylation appears to have an effect on the layout of the binding site residue and transferrin structure. On the other hand, sometimes the entire transferrin formed by separated lobes that it allows the results to be interpreted in a straightforward manner rather than more parameters required for full length protein. But, it should be noted that there are differences between the separated lobe and full length transferrin, hence, a comparative analysis by the molecular dynamic simulation was performed to investigate such structural variations. Results revealed that separation in C-lobe caused a significant structural variation in comparison to N-lobe. Consequently, the separated lobes and the full length one are different, showing the importance of the interlobe communication and the impact of the lobes on each other in the transferrin structure. Copyright © 2016 Elsevier Ltd. All rights reserved.
Climate effects and feedback structure determining weed population dynamics in a long-term experiment.
Lima, Mauricio; Navarrete, Luis; González-Andujar, José Luis
Pest control is one of the areas in which population dynamic theory has been successfully applied to solve practical problems. However, the links between population dynamic theory and model construction have been less emphasized in the management and control of weed populations. Most management models of weed population dynamics have emphasized the role of the endogenous process, but the role of exogenous variables such as climate have been ignored in the study of weed populations and their management. Here, we use long-term data (22 years) on two annual weed species from a locality in Central Spain to determine the importance of endogenous and exogenous processes (local and large-scale climate factors). Our modeling study determined two different feedback structures and climate effects in the two weed species analyzed. While Descurainia sophia exhibited a second-order feedback and low climate influence, Veronica hederifolia was characterized by a first-order feedback structure and important effects from temperature and rainfall. Our results strongly suggest the importance of theoretical population dynamics in understanding plant population systems. Moreover, the use of this approach, discerning between the effect of exogenous and endogenous factors, can be fundamental to applying weed management practices in agricultural systems and to controlling invasive weedy species. This is a radical change from most approaches currently used to guide weed and invasive weedy species managements.
Climate Effects and Feedback Structure Determining Weed Population Dynamics in a Long-Term Experiment
Lima, Mauricio; Navarrete, Luis; González-Andujar, José Luis
Pest control is one of the areas in which population dynamic theory has been successfully applied to solve practical problems. However, the links between population dynamic theory and model construction have been less emphasized in the management and control of weed populations. Most management models of weed population dynamics have emphasized the role of the endogenous process, but the role of exogenous variables such as climate have been ignored in the study of weed populations and their management. Here, we use long-term data (22 years) on two annual weed species from a locality in Central Spain to determine the importance of endogenous and exogenous processes (local and large-scale climate factors). Our modeling study determined two different feedback structures and climate effects in the two weed species analyzed. While Descurainia sophia exhibited a second-order feedback and low climate influence, Veronica hederifolia was characterized by a first-order feedback structure and important effects from temperature and rainfall. Our results strongly suggest the importance of theoretical population dynamics in understanding plant population systems. Moreover, the use of this approach, discerning between the effect of exogenous and endogenous factors, can be fundamental to applying weed management practices in agricultural systems and to controlling invasive weedy species. This is a radical change from most approaches currently used to guide weed and invasive weedy species managements. PMID:22272362
Climate effects and feedback structure determining weed population dynamics in a long-term experiment.
Directory of Open Access Journals (Sweden)
Mauricio Lima
Full Text Available Pest control is one of the areas in which population dynamic theory has been successfully applied to solve practical problems. However, the links between population dynamic theory and model construction have been less emphasized in the management and control of weed populations. Most management models of weed population dynamics have emphasized the role of the endogenous process, but the role of exogenous variables such as climate have been ignored in the study of weed populations and their management. Here, we use long-term data (22 years on two annual weed species from a locality in Central Spain to determine the importance of endogenous and exogenous processes (local and large-scale climate factors. Our modeling study determined two different feedback structures and climate effects in the two weed species analyzed. While Descurainia sophia exhibited a second-order feedback and low climate influence, Veronica hederifolia was characterized by a first-order feedback structure and important effects from temperature and rainfall. Our results strongly suggest the importance of theoretical population dynamics in understanding plant population systems. Moreover, the use of this approach, discerning between the effect of exogenous and endogenous factors, can be fundamental to applying weed management practices in agricultural systems and to controlling invasive weedy species. This is a radical change from most approaches currently used to guide weed and invasive weedy species managements.
Effect of short-chain branching on interfacial polymer structure and dynamics under shear flow.
Jeong, Sohdam; Kim, Jun Mo; Cho, Soowon; Baig, Chunggi
We present a detailed analysis on the effect of short-chain branches on the structure and dynamics of interfacial chains using atomistic nonequilibrium molecular dynamics simulations of confined polyethylene melts in a wide range of shear rates. The intrinsically fast random motions of the short branches constantly disturb the overall chain conformation, leading to a more compact and less deformed chain structure of the short-chain branched (SCB) polymer against the imposed flow field in comparison with the corresponding linear polymer. Moreover, such highly mobile short branches along the backbone of the SCB polymer lead to relatively weaker out-of-plane wagging dynamics of interfacial chains, with highly curvy backbone structures in the intermediate flow regime. In conjunction with the contribution of short branches (as opposed to that of the backbone) to the total interfacial friction between the chains and the wall, the SCB polymer shows a nearly constant behavior in the degree of slip (d s ) with respect to shear rate in the weak-to-intermediate flow regimes. On the contrary, in the strong flow regime where irregular chain rotation and tumbling dynamics occur via intensive dynamical collisions between interfacial chains and the wall, an enhancement effect on the chain detachment from the wall, caused by short branches, leads to a steeper increase in d s for the SCB polymer than for the linear polymer. Remarkably, the SCB chains at the interface exhibit two distinct types of rolling mechanisms along the backbone, with a half-dumbbell mesoscopic structure at strong flow fields, in addition to the typical hairpin-like tumbling behavior displayed by the linear chains.
Dynamical rescaling, the EMC effect and universality of hadron structure functions
International Nuclear Information System (INIS)
Close, F.E.
Data are compared on the EMC effect, with the hypothesis that the quark confinement size increases in going from a free nucleon to a nucleus. In QCD a dynamical rescaling is predicted: Q 2 variation of the distribution function in a given target parallels the dependence on confinement size, R, at fixed Q 2 . Thus a dynamical scale invariance obtains when both R and Q 2 are varied, yielding the dynamical rescaling relation F 2 sup(A)(x, Q 2 ) = F 2 sup(N)(x, zetaQ 2 ) where zeta > 1 is predicted for any nucleus and is a function of the confinement size. Data on 12 nuclei agree with this, implying that confinement size is governed by nuclear density. The formalism is tested by relating the pion and nucleon structure functions. (author)
Effects of single nucleotide polymorphisms on human N-acetyltransferase 2 structure and dynamics by molecular dynamics simulation.
Directory of Open Access Journals (Sweden)
M Rajasekaran
Full Text Available BACKGROUND: Arylamine N-acetyltransferase 2 (NAT2 is an important catalytic enzyme that metabolizes the carcinogenic arylamines, hydrazine drugs and chemicals. This enzyme is highly polymorphic in different human populations. Several polymorphisms of NAT2, including the single amino acid substitutions R64Q, I114T, D122N, L137F, Q145P, R197Q, and G286E, are classified as slow acetylators, whereas the wild-type NAT2 is classified as a fast acetylator. The slow acetylators are often associated with drug toxicity and efficacy as well as cancer susceptibility. The biological functions of these 7 mutations have previously been characterized, but the structural basis behind the reduced catalytic activity and reduced protein level is not clear. METHODOLOGY/PRINCIPAL FINDINGS: We performed multiple molecular dynamics simulations of these mutants as well as NAT2 to investigate the structural and dynamical effects throughout the protein structure, specifically the catalytic triad, cofactor binding site, and the substrate binding pocket. None of these mutations induced unfolding; instead, their effects were confined to the inter-domain, domain 3 and 17-residue insert region, where the flexibility was significantly reduced relative to the wild-type. Structural effects of these mutations propagate through space and cause a change in catalytic triad conformation, cofactor binding site, substrate binding pocket size/shape and electrostatic potential. CONCLUSIONS/SIGNIFICANCE: Our results showed that the dynamical properties of all the mutant structures, especially in inter-domain, domain 3 and 17-residue insert region were affected in the same manner. Similarly, the electrostatic potential of all the mutants were altered and also the functionally important regions such as catalytic triad, cofactor binding site, and substrate binding pocket adopted different orientation and/or conformation relative to the wild-type that may affect the functions of the mutants
Effects of thermal cracking on the dynamic behavior of reinforced concrete containment structures
International Nuclear Information System (INIS)
Castellani, A.; Fontana, A.
Thick concrete cylinders acted on by horizontal dynamic forces are analyzed. According to the dimensions they may simulate a containment structure or a reactor core support. In particular, the effects of thermal cracking on their dynamic behavior are investigated; up to now the tests are confined to vertical cracking which is likely to appear under a thermal gradient of approximately 35 to 45 0 C on the wall. At higher temperatures, the number and extension of these cracks increase, till a stabilized crack pattern is reached. This is the main subject of the present investigation. The horizontal forces call for a shear transmission along the crack. According to the literature, shear stresses can be transmitted by aggregate interlock, by shear friction, and by the dowel action provided by horizontal reinforcement. These effects may accomodate the shear transmission along the crack required to resist a given distribution of horizontal forces. On the other hand, the shear rigidity of the structure may be negatively affected by the cracking, depending on the crack width and distribution and on the amplitude of the applied forces. In this case a dynamic behavior of the structure is to be analyzed with proper consideration to the existing cracking
The effect of rotatory inertia on the dynamic response of cantilever structures
International Nuclear Information System (INIS)
Lin, Y.J.; Hadjian, A.H.
For the dynamic response of cantilever beams, the error introduced by the bending theory becomes significant as the ratio of the radius of gyration to the beam length (r/l), exceeds 0.1. In this case, the use of Timoshenko's beam equation becomes more appropriate. This equation includes, in addition to the bending effects, both shear deformation and rotatory inertia effects. In the discrete modeling of beam elements, both the shear deformation and rotatory inertia terms play roles in the mass matrix, while only the shear deformation terms appear in the stiffness matrix. The effect of rotatory inertia on the frequencies and dynamic response of cantilever structures subjected to lateral earthquake excitation is thoroughly studied. This is done by using both the consistent and lumped mass matrices and analytical solution. The beam support is treated either as fixed or elastically restrained to consider soil-structure interaction effects. Since containment structures can be treated as hollow beams, the cantilever beam of uniform cross-section is examined first. For those cases where the ratio of the radius of gyration to beam length lies within the range of interest, all the solutions show that rotatory inertia has an important impact on both the frequencies (other than that of the fundamental mode) and the vertical component of the response. However, as the soil-structure interaction effects become significant rotatory inertia effects become secondary. For shear wall structures used in nuclear power plants, the floors may be treated as rigid diaphragms and the shear walls between floors are usually considered to be beam elements of uniform cross-section
Modeling the Structure and Effectiveness of Intelligence Organizations: Dynamic Information Flow Simulation
National Research Council Canada - National Science Library
Behrman, Robert; Carley, Kathleen
This paper describes the Dynamic Information Flow Simulation (DIFS), an abstract model for analyzing the structure and function of intelligence support organizations and the activities of entities within...
The effects of topology on the structural, dynamic and mechanical properties of network-forming materials
International Nuclear Information System (INIS)
Wilson, Mark
The effects of network topology on the static structural, mechanical and dynamic properties of MX 2 network-forming liquids (with tetrahedral short-range order) are discussed. The network topology is controlled via a single model parameter (the anion polarizability) which effectively constrains the inter-tetrahedral linkages in a physically transparent manner. Critically, it is found to control the balance between the stability of corner- and edge-sharing tetrahedra. A potential rigidity transformation is investigated. The vibrational density of states is investigated, using an instantaneous normal model analysis, as a function of both anion polarizability and temperature. A low frequency peak is seen to appear and is shown to be correlated with the fraction of cations which are linked through solely edge-sharing structural motifs. A modified effective mean atom coordination number is proposed which allows the appearance of the low frequency feature to be understood in terms of a mean field rigidity percolation threshold. (paper)
DEFF Research Database (Denmark)
Andreasen, Martin Møller; Meldrum, Andrew
This paper studies whether dynamic term structure models for US nominal bond yields should enforce the zero lower bound by a quadratic policy rate or a shadow rate specification. We address the question by estimating quadratic term structure models (QTSMs) and shadow rate models with at most four...
The effect of progressive hypoxia on school structure and dynamics in Atlantic herring Clupea harengus
DEFF Research Database (Denmark)
Domenici, Paolo; Ferrari, R Silvana; Steffensen, John F
The effect of progressive hypoxia on the structure and dynamics of herring (Clupea harengus) schools in laboratory conditions was investigated. The length, width and depth of schools of about 20 individuals were measured from video recordings to test the hypothesis that during hypoxia fish schools...... change their shape and volume. School shape (calculated as the ratios of length/depth, width/depth and length/width) did not change significantly during hypoxia. School length, width, depth, area and volume were all significantly increased at 20% oxygen saturation. Volume, area and width were more...... to overtaking or falling back by individual fishes. School integrity and positional dynamics are the outcome of trade-offs among a number of biotic factors, such as food, predator defence, mating behaviour and various physical factors that may impose certain limits. Among these, our results indicate that oxygen...
Effects of demographic structure on key properties of stochastic density-independent population dynamics.
Vindenes, Yngvild; Sæther, Bernt-Erik; Engen, Steinar
The development of stochastic demography has largely been based on age structured populations, although other types of demographic structure, especially permanent and dynamic heterogeneity, are likely common in natural populations. The combination of stochasticity and demographic structure is a challenge for analyses of population dynamics and extinction risk, because the population structure will fluctuate around the stable structure and the population size shows transient fluctuations. However, by using a diffusion approximation for the total reproductive value, density-independent dynamics of structured populations can be described with only three population parameters: the expected population growth rate, the environmental variance and the demographic variance. These parameters depend on population structure via the state-specific vital rates and transition rates. Once they are found, the diffusion approximation represents a substantial reduction in model complexity. Here, we review and compare the key population parameters across a wide range of demographic structure, from the case of no structure to the most general case of dynamic heterogeneity, and for both discrete and continuous types. We focus on the demographic variance, but also show how environmental stochasticity can be included. This study brings together results from recent models, each considering a specific type of population structure, and places them in a general framework for structured populations. Comparison across different types of demographic structure reveals that the reproductive value is an essential concept for understanding how population structure affects stochastic dynamics and extinction risk. Copyright © 2011 Elsevier Inc. All rights reserved.
Paultre, Patrick
This book covers structural dynamics from a theoretical and algorithmic approach. It covers systems with both single and multiple degrees-of-freedom. Numerous case studies are given to provide the reader with a deeper insight into the practicalities of the area, and the solutions to these case studies are given in terms of real-time and frequency in both geometric and modal spaces. Emphasis is also given to the subject of seismic loading. The text is based on many lectures on the subject of structural dynamics given at numerous institutions and thus will be an accessible and practical aid to
Effects of seed magnetic fields on magnetohydrodynamic implosion structure and dynamics
Mostert, W.
The effects of various seed magnetic fields on the dynamics of cylindrical and spherical implosions in ideal magnetohydrodynamics are investigated. Here, we present a fundamental investigation of this problem utilizing cylindrical and spherical Riemann problems under three seed field configurations to initialize the implosions. The resulting flows are simulated numerically, revealing rich flow structures, including multiple families of magnetohydrodynamic shocks and rarefactions that interact non-linearly. We fully characterize these flow structures, examine their axi- and spherisymmetry-breaking behaviour, and provide data on asymmetry evolution for different field strengths and driving pressures for each seed field configuration. We find that out of the configurations investigated, a seed field for which the implosion centre is a saddle point in at least one plane exhibits the least degree of asymmetry during implosion.
Effects of Structural Transparency in System Dynamics Simulators on Performance and Understanding
Directory of Open Access Journals (Sweden)
Birgit Kopainsky
Full Text Available Prior exploration is an instructional strategy that has improved performance and understanding in system-dynamics-based simulators, but only to a limited degree. This study investigates whether model transparency, that is, showing users the internal structure of models, can extend the prior exploration strategy and improve learning even more. In an experimental study, participants in a web-based simulation learned about and managed a small developing nation. All participants were provided the prior exploration strategy but only half received prior exploration embedded in a structure-behavior diagram intended to make the underlying model's structure more transparent. Participants provided with the more transparent strategy demonstrated better understanding of the underlying model. Their performance, however, was the equivalent to those in the less transparent condition. Combined with previous studies, our results suggest that while prior exploration is a beneficial strategy for both performance and understanding, making the model structure transparent with structure-behavior diagrams is more limited in its effect.
Dynamic Effects of Biochar on the Bacterial Community Structure in Soil Contaminated with Polycyclic Aromatic Hydrocarbons.
Song, Yang; Bian, Yongrong; Wang, Fang; Xu, Min; Ni, Ni; Yang, Xinglun; Gu, Chenggang; Jiang, Xin
Amending soil with biochar is an effective soil remediation strategy for organic contaminants. This study investigated the dynamic effects of wheat straw biochar on the bacterial community structure during remediation by high-throughput sequencing. The wheat straw biochar amended into the soil significantly reduced the bioavailability and toxicity of polycyclic aromatic hydrocarbons (PAHs). Biochar amendment helped to maintain the bacterial diversity in the PAH-contaminated soil. The relationship between the immobilization of PAHs and the soil bacterial diversity fit a quadratic model. Before week 12 of the incubation, the incubation time was the main factor contributing to the changes in the soil bacterial community structure. However, biochar greatly affected the bacterial community structure after 12 weeks of amendment, and the effects were dependent upon the biochar type. Amendment with biochar mainly facilitated the growth of rare bacterial genera (relative abundance of 0.01-1%) in the studied soil. Therefore, the application of wheat straw biochar into PAH-contaminated soil can reduce the environmental risks of PAHs and benefit the soil microbial ecology.
Effect of Space Vehicle Structure Vibration on Control Moment Gyroscope Dynamics
Dobrinskaya, Tatiana
Control Moment Gyroscopes (CMGs) are used for non-propulsive attitude control of satellites and space stations, including the International Space Station (ISS). CMGs could be essential for future long duration space missions due to the fact that they help to save propellant. CMGs were successfully tested on the ground for many years, and have been successfully used on satellites. However, operations have shown that the CMG service life on the ISS is significantly shorter than predicted. Since the dynamic environment of the ISS differs greatly from the nominal environment of satellites, it was important to analyze how operations specific to the station (dockings and undockings, huge solar array motion, crew exercising, robotic operations, etc) can affect the CMG performance. This task became even more important since the first CMG failure onboard the ISS. The CMG failure resulted in the limitation of the attitude control capabilities, more propellant consumption, and additional operational issues. Therefore, the goal of this work was to find out how the vibrations of a space vehicle structure, caused by a variety of onboard operations, can affect the CMG dynamics and performance. The equations of CMG motion were derived and analyzed for the case when the gyro foundation can vibrate in any direction. The analysis was performed for unbalanced CMG gimbals to match the CMG configuration on ISS. The analysis showed that vehicle structure vibrations can amplify and significantly change the CMG motion if the gyro gimbals are unbalanced in flight. The resonance frequencies were found. It was shown that the resonance effect depends on the magnitude of gimbal imbalance, on the direction of a structure vibration, and on gimbal bearing friction. Computer modeling results of CMG dynamics affected by the external vibration are presented. The results can explain some of the CMG vibration telemetry observed on ISS. This work shows that balancing the CMG gimbals decreases the effect
Preferential binding effects on protein structure and dynamics revealed by coarse-grained Monte Carlo simulation
Pandey, R. B.; Jacobs, D. J.; Farmer, B. L.
The effect of preferential binding of solute molecules within an aqueous solution on the structure and dynamics of the histone H3.1 protein is examined by a coarse-grained Monte Carlo simulation. The knowledge-based residue-residue and hydropathy-index-based residue-solvent interactions are used as input to analyze a number of local and global physical quantities as a function of the residue-solvent interaction strength (f). Results from simulations that treat the aqueous solution as a homogeneous effective solvent medium are compared to when positional fluctuations of the solute molecules are explicitly considered. While the radius of gyration (Rg) of the protein exhibits a non-monotonic dependence on solvent interaction over a wide range of f within an effective medium, an abrupt collapse in Rg occurs in a narrow range of f when solute molecules rapidly bind to a preferential set of sites on the protein. The structure factor S(q) of the protein with wave vector (q) becomes oscillatory in the collapsed state, which reflects segmental correlations caused by spatial fluctuations in solute-protein binding. Spatial fluctuations in solute binding also modify the effective dimension (D) of the protein in fibrous (D ˜ 1.3), random-coil (D ˜ 1.75), and globular (D ˜ 3) conformational ensembles as the interaction strength increases, which differ from an effective medium with respect to the magnitude of D and the length scale.
Dynamic Pricing in Cloud Manufacturing Systems under Combined Effects of Consumer Structure, Negotiation, and Demand
Directory of Open Access Journals (Sweden)
Wei Peng
Full Text Available In this study, we proposed a game-theory based framework to model the dynamic pricing process in the cloud manufacturing (CMfg system. We considered a service provider (SP, a broker agent (BA, and a dynamic service demander (SD population that is composed of price takers and bargainers in this study. The pricing processes under linear demand and constant elasticity demand were modeled, respectively. The combined effects of SD population structure, negotiation, and demand forms on the SP's and the BA's equilibrium prices and expected revenues were examined. We found that the SP's optimal wholesale price, the BA's optimal reservation price, and posted price all increase with the proportion of price takers under linear demand but decrease with it under constant elasticity demand. We also found that the BA's optimal reservation price increases with bargainers' power no matter under what kind of demand. Through analyzing the participants' revenues, we showed that a dynamic SD population with a high ratio of price takers would benefit the SP and the BA.
Effect of Piers Shape on the Dynamic Structural Responses of Prestressed Concrete Bridge: Part II
Directory of Open Access Journals (Sweden)
Ali Fadhil Naser
Full Text Available Pier of bridge is usually used as a general term for any type of substructure located between horizontal spans and foundations. Piers give vertical supports for spans at intermediate points and perform two main functions. The objective of this study is to inspect the effect of piers shape on the dynamic structural performance by adopting theoretical dynamic analysis. The results of dynamic analysis of 25 bridges models show that the maximum value of natural frequency is equal to 5.64Hz in two circles piers bridge model. Therefore, this type of model has good stiffness and bearing capacity. The two square piers model, the one circle pier model, and the two circles piers model appear good stiffness because of the natural frequencies (5.30Hz, 5.52Hz, and 5.64Hz are more than the maximum forced frequencies (4.52Hz, 5.45Hz, and 4.52Hz respectively. According to the comparison between all models results, the two circles piers model has the higher stiffness because of this model has the maximum value of natural frequency (5.64Hz and it is more than all forced vibration frequencies of all others models. Therefore, this study recommends that using the bridge model of two circles piers in the bridges construction that consists of three spans (30m+40m+30m with section of box girder.
Effect of Piers Shape on the Dynamic Structural Responses of Prestressed Concrete Bridge: Part II
Directory of Open Access Journals (Sweden)
Ali Fadhil Naser
Full Text Available Pier of bridge is usually used as a general term for any type of substructure located between horizontal spans and foundations. Piers give vertical supports for spans at intermediate points and perform two main functions. The objective of this study is to inspect the effect of piers shape on the dynamic structural performance by adopting theoretical dynamic analysis. The results of dynamic analysis of 25 bridges models show that the maximum value of natural frequency is equal to 5.64Hz in two circles piers bridge model. Therefore, this type of model has good stiffness and bearing capacity. The two square piers model, the one circle pier model, and the two circles piers model appear good stiffness because of the natural frequencies (5.30Hz, 5.52Hz, and 5.64Hz are more than the maximum forced frequencies (4.52Hz, 5.45Hz, and 4.52Hz respectively. According to the comparison between all models results, the two circles piers model has the higher stiffness because of this model has the maximum value of natural frequency (5.64Hz and it is more than all forced vibration frequencies of all others models. Therefore, this study recommends that using the bridge model of two circles piers in the bridges construction that consists of three spans (30m+40m+30m with section of box girder.
DEFF Research Database (Denmark)
Kejlberg-Rasmussen, Casper
statements about our data structure, which are based on the structure of the underlying problem, that we are trying to solve. We can rely on the properties of the invariants when performing queries, and in return we need to ensure that the invariants remain true after we perform updates. When designing data......In this thesis I will address three dynamic data structure problems using the concept of invariants. The first problem is maintaining a dynamically changing set of keys – a dictionary – where the queries we can ask are: does it contain a given key? and what is the preceding (or succeeding) key...... to a given key? The updates we can do are: inserting a new key or deleting a given key. Our dictionary has the working set property, which means that the running time of a query depends on the query distribution. Specifically the time to search for a key depends on when we last searched for it. Our data...
Effects of parallel dynamics on vortex structures in electron temperature gradient driven turbulence
International Nuclear Information System (INIS)
Nakata, M.; Watanabe, T.-H.; Sugama, H.; Horton, W.
Vortex structures and related heat transport properties in slab electron temperature gradient (ETG) driven turbulence are comprehensively investigated by means of nonlinear gyrokinetic Vlasov simulations, with the aim of elucidating the underlying physical mechanisms of the transition from turbulent to coherent states. Numerical results show three different types of vortex structures, i.e., coherent vortex streets accompanied with the transport reduction, turbulent vortices with steady transport, and a zonal-flow-dominated state, depending on the relative magnitude of the parallel compression to the diamagnetic drift. In particular, the formation of coherent vortex streets is correlated with the strong generation of zonal flows for the cases with weak parallel compression, even though the maximum growth rate of linear ETG modes is relatively large. The zonal flow generation in the ETG turbulence is investigated by the modulational instability analysis with a truncated fluid model, where the parallel dynamics such as acoustic modes for electrons is incorporated. The modulational instability for zonal flows is found to be stabilized by the effect of the finite parallel compression. The theoretical analysis qualitatively agrees with secondary growth of zonal flows found in the slab ETG turbulence simulations, where the transition of vortex structures is observed.
Domain size polydispersity effects on the structural and dynamical properties in lipid monolayers with phase coexistence
Rufeil-Fiori, Elena; Banchio, Adolfo J.
Lipid monolayers with phase coexistence are a frequently used model for lipid membranes. In these systems, domains of the liquid-condensed phase always present size polydispersity. However, very few theoretical works consider size distribution effects on the monolayer properties. Because of the difference in surface densities, domains have excess dipolar density with respect to the surrounding liquid expanded phase, originating a dipolar inter-domain interaction. This interaction depends on the domain area, and hence the presence of a domain size distribution is associated with interaction polydispersity. Inter-domain interactions are fundamental to understanding the structure and dynamics of the monolayer. For this reason, it is expected that polydispersity significantly alters monolayer properties. By means of Brownian dynamics simulations, we study the radial distribution function (RDF), the average mean square displacement and the average time-dependent self-diffusion coefficient, D(t), of lipid monolayers with normal distributed size domains. It was found that polydispersity strongly affects the value of the interaction strength obtained, which is greatly underestimated if polydispersity is not considered. However, within a certain range of parameters, the RDF obtained from a polydisperse model can be well approximated by that of a monodisperse model, suitably fitting the interaction strength, even for 40% polydispersities. For small interaction strengths or small polydispersities, the polydisperse systems obtained from fitting the experimental RDF have an average mean square displacement and D(t) in good agreement with that of the monodisperse system.
Effect of the dynamic pressure on the shock wave structure in a rarefied polyatomic gas
Energy Technology Data Exchange (ETDEWEB)
Taniguchi, Shigeru, E-mail: email@example.com; Sugiyama, Masaru, E-mail: email@example.com [Graduate School of Engineering, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Arima, Takashi, E-mail: firstname.lastname@example.com [Center for Social Contribution and Collaboration, Nagoya Institute of Technology, Nagoya 466-8555 (Japan); Ruggeri, Tommaso, E-mail: email@example.com [Department of Mathematics and Research Center of Applied Mathematics (CIRAM), University of Bologna, Bologna (Italy)
We study the shock wave structure in a rarefied polyatomic gas based on a simplified model of extended thermodynamics in which the dissipation is due only to the dynamic pressure. In this case the differential system is very simple because it is a variant of Euler system with a new scalar equation for the dynamic pressure [T. Arima, S. Taniguchi, T. Ruggeri, and M. Sugiyama, Phys. Lett. A 376, 2799–2803 (2012)]. It is shown that this theory is able to describe the three types of the shock wave structure observed in experiments: the nearly symmetric shock wave structure (Type A, small Mach number), the asymmetric structure (Type B, moderate Mach number), and the structure composed of thin and thick layers (Type C, large Mach number)
International Nuclear Information System (INIS)
De Canio, G.; Ranieri, N.
Shake table tests allow to assess the effectiveness of technologies for structures protection from natural events such as earthquakes. The article summarizes the remarkable results of the most significant projects. [it
A size dependent dynamic model for piezoelectric nanogenerators: effects of geometry, structural and environmental parameters
Sadeghzadeh, Sadegh; Farshad Mir Saeed Ghazi, Seyyed
Piezoelectric Nanogenerator (PENG) is one of the novel energy harvester systems that recently, has been a subject of interest for researchers. By the use of nanogenerators, it's possible to harvest different forms of energy in the environment like mechanical vibrations and generate electricity. The structure of a PENG consists of vertical arrays of nanowires between two electrodes. In this paper, dynamic analysis of a PENG is studied numerically. The modified couple stress theory which includes one length scale material parameter is used to study the size-dependent behavior of PENGs. Then, by application of a complete form of linear hybrid piezoelectric—pyroelectric equations, and using the Euler-Bernoulli beam model, the equations of motion has been derived. Generalized Differential Quadrature (GDQ) method was employed to solve the equations of motion. The effect of damping ratio, temperature rise, excitation frequency and length scale parameter was studied. It was found that the PENG voltage maximizes at the resonant frequency of nanowire. The temperature rise has a significant effect on PENG's efficiency. When temperature increases about 10 {{K}}, the maximum voltage increases about 26%. Increasing the damping ratio, the maximum voltage decreases gradually.
Effects of Neuromodulation on Excitatory-Inhibitory Neural Network Dynamics Depend on Network Connectivity Structure
Rich, Scott; Zochowski, Michal; Booth, Victoria
Acetylcholine (ACh), one of the brain's most potent neuromodulators, can affect intrinsic neuron properties through blockade of an M-type potassium current. The effect of ACh on excitatory and inhibitory cells with this potassium channel modulates their membrane excitability, which in turn affects their tendency to synchronize in networks. Here, we study the resulting changes in dynamics in networks with inter-connected excitatory and inhibitory populations (E-I networks), which are ubiquitous in the brain. Utilizing biophysical models of E-I networks, we analyze how the network connectivity structure in terms of synaptic connectivity alters the influence of ACh on the generation of synchronous excitatory bursting. We investigate networks containing all combinations of excitatory and inhibitory cells with high (Type I properties) or low (Type II properties) modulatory tone. To vary network connectivity structure, we focus on the effects of the strengths of inter-connections between excitatory and inhibitory cells (E-I synapses and I-E synapses), and the strengths of intra-connections among excitatory cells (E-E synapses) and among inhibitory cells (I-I synapses). We show that the presence of ACh may or may not affect the generation of network synchrony depending on the network connectivity. Specifically, strong network inter-connectivity induces synchronous excitatory bursting regardless of the cellular propensity for synchronization, which aligns with predictions of the PING model. However, when a network's intra-connectivity dominates its inter-connectivity, the propensity for synchrony of either inhibitory or excitatory cells can determine the generation of network-wide bursting.
Comment on 'An effective fitting scheme for the dynamic structure of pure liquids'
International Nuclear Information System (INIS)
Bafile, U; Guarini, E; Barocchi, F
The occurrence of a propagation gap in the acoustic excitations of a liquid is excluded by Wax and Bryk (2013 J. Phys.: Condens. Matter 25 325104). The requirement of a finite second frequency moment for the dynamic structure factor is used to come to this conclusion. We show here that this requirement does not conflict with the existence of overdamped, non-propagating modes which give rise to spectra that do not contain inelastic components. Such a behaviour has indeed been detected in the analysis of the collective dynamics of several liquids, carried out by using well-established sum-rule-compliant S(q, ω) models. (comment)
Dynamic Soil-Structure-Interaction
DEFF Research Database (Denmark)
Kellezi, Lindita
The aim of this thesis is to investigate and develop alternative methods of analyzing problems in dynamic soil-structure-interaction. The main focus is the major difficulty posed by such an analysis - the phenomenon of waves which radiate outward from the excited structures towards infinity....... In numerical calculations, only a finite region of the foundation metium is analyzed and something is done to prevent the outgoing radiating waves to reflect from the regions's boundary. The prosent work concerns itself with the study of such effects, using the finite element method, and artificial...... transmitting boundary at the edges of the computational mesh. To start with, an investigation of the main effects of the interaction phenomena is carried out employing a widely used model, considering dynamic stiffness of the unbounded soil as frequency independent. Then a complete description...
An effective fitting scheme for the dynamic structure of pure liquids
International Nuclear Information System (INIS)
Wax, J-F; Bryk, Taras
A scheme of analysis for the dynamic structure functions in pure liquids is presented which can be implemented with both experimental and simulation data. Expressions for contributions of relaxing and propagating modes proposed earlier in the framework of the generalized collective modes approach are optimized in order to strictly fulfil three among the required sum-rules. The method is applied to simulation data for liquid cesium, the description of which appears to only require one relaxing and one propagating mode in the investigated wavevector range. These expressions are able to account for the dynamics in both the hydrodynamic and the kinetic regimes, being quantitatively accurate up to the onset of the first peak of the static structure factor and qualitatively beyond. Features of the modes can thus be obtained easily, without resorting to heavy formalism. The scheme of analysis can be straightforwardly extended to account for a higher number of relaxing and propagating modes. (paper)
Structuring effects in binary nucleation : Molecular dynamics simulatons and coarse-grained nucleation theory
Braun, S.; Kraska, T.; Kalikmanov, V.I.
Binary clusters formed by vapor-liquid nucleation are frequently nonhomogeneous objects in which components are not well mixed. The structure of a cluster plays an important role in nucleation and cluster growth. We demonstrate structuring effects by studying high-pressure nucleation and cluster
Relating Topological Determinants of Complex Networks to Their Spectral Properties: Structural and Dynamical Effects
Castellano, Claudio; Pastor-Satorras, Romualdo
The largest eigenvalue of a network's adjacency matrix and its associated principal eigenvector are key elements for determining the topological structure and the properties of dynamical processes mediated by it. We present a physically grounded expression relating the value of the largest eigenvalue of a given network to the largest eigenvalue of two network subgraphs, considered as isolated: the hub with its immediate neighbors and the densely connected set of nodes with maximum K -core index. We validate this formula by showing that it predicts, with good accuracy, the largest eigenvalue of a large set of synthetic and real-world topologies. We also present evidence of the consequences of these findings for broad classes of dynamics taking place on the networks. As a by-product, we reveal that the spectral properties of heterogeneous networks built according to the linear preferential attachment model are qualitatively different from those of their static counterparts.
Distributed Dynamic Condition Response Structures
DEFF Research Database (Denmark)
Hildebrandt, Thomas; Mukkamala, Raghava Rao
We present distributed dynamic condition response structures as a declarative process model inspired by the workflow language employed by our industrial partner and conservatively generalizing labelled event structures. The model adds to event structures the possibility to 1) finitely specify...... as a labelled transition system. Exploration of the relationship between dynamic condition response structures and traditional models for concurrency, application to more complex scenarios, and further extensions of the model is left to future work....
Structure in sheared supercooled liquids: Dynamical rearrangements of an effective system of icosahedra.
Pinney, Rhiannon; Liverpool, Tanniemola B; Royall, C Patrick
We consider a binary Lennard-Jones glassformer whose super-Arrhenius dynamics are correlated with the formation of particles organized into icosahedra under simple steady state shear. We recast this glassformer as an effective system of icosahedra [Pinney et al., J. Chem. Phys. 143, 244507 (2015)]. From the observed population of icosahedra in each steady state, we obtain an effective temperature which is linearly dependent on the shear rate in the range considered. Upon shear banding, the system separates into a region of high shear rate and a region of low shear rate. The effective temperatures obtained in each case show that the low shear regions correspond to a significantly lower temperature than the high shear regions. Taking a weighted average of the effective temperature of these regions (weight determined by region size) yields an estimate of the effective temperature which compares well with an effective temperature based on the global mesocluster population of the whole system.
Efficiency of fiber reinforced concrete application in structures subjected to dynamic effects
Directory of Open Access Journals (Sweden)
Morozov Valeriy Ivanovich
Full Text Available Fiber reinforced concretes possess high strength under dynamic loadings, which include impact loads, thanks to their high structural viscosity. This is the reason for using them in difficult operating conditions, where increasing the performance characteristics and the structure durability is of prime importance, and the issues of the cost become less significant. Applying methods of disperse reinforcement is most challenging in case of subtle high-porous materials on mineral binders, for example foamed concrete. At the same time, the experiments conducted in Russia and abroad show, that also in other cases the concrete strength resistance several times increases as a result of disperse reinforcement. This doesn't depend on average density of the concrete and type of fiber used. In the article the fibre reinforced concrete impact resistance is analysed. Recommendations are given in regard to fibre concrete application in manufacture of monolithic floor units for industrial buildings and precast piles.
Dynamic analysis and design of offshore structures
Chandrasekaran, Srinivasan
This book attempts to provide readers with an overall idea of various types of offshore platform geometries. It covers the various environmental loads encountered by these structures, a detailed description of the fundamentals of structural dynamics in a class-room style, estimate of damping in offshore structures and their applications in the preliminary analysis and design. Basic concepts of structural dynamics are emphasized through simple illustrative examples and exercises. Design methodologies and guidelines, which are FORM based concepts are explained through a few applied example structures. Each chapter also has tutorials and exercises for self-learning. A dedicated chapter on stochastic dynamics will help the students to extend the basic concepts of structural dynamics to this advanced domain of research. Hydrodynamic response of offshore structures with perforated members is one of the recent research applications, which is found to be one of the effective manner of retrofitting offshore structur...
Counter-rotating effects and entanglement dynamics in strongly coupled quantum-emitter-metallic-nanoparticle structures
Iliopoulos, Nikos; Thanopulos, Ioannis; Yannopapas, Vassilios; Paspalakis, Emmanuel
We study the spontaneous emission of a two-level quantum emitter next to a plasmonic nanoparticle beyond the Markovian approximation and the rotating-wave approximation (RWA) by combining quantum dynamics and classical electromagnetic calculations. For emitters with decay times in the picosecond to nanosecond time regime, as well as located at distances from the nanoparticle up to its radius, the dynamics with and without the RWA and the transition from the non-Markovian to the Markovian regime are investigated. For emitters with longer decay times, the Markov approximation proves to be adequate for distances larger than half the nanoparticle radius. However, the RWA is correct for all distances of the emitter from the nanoparticle. For short decay time emitters, the Markov approximation and RWA are both inadequate, with only the RWA becoming valid again at a distance larger than half the nanoparticle radius. We also show that the entanglement dynamics of two initially entangled qubits interacting independently with the nanoparticle may have a strong non-Markovian character when counter-rotating effects are included. Interesting effects such as entanglement sudden death, periodic entanglement revival, entanglement oscillations, and entanglement trapping are further observed when different initial two-qubit states and different distances between the qubit and the nanoparticle are considered.
Effect of Dynamic Flow on the Structure of Inhibition Layer in Hot-dip Galvanizing
Energy Technology Data Exchange (ETDEWEB)
Jin, Young Sool; Kim, Myung Soo; Kim, Su Young [POSCO Technical Research Labs., Gwangyang (Korea, Republic of); Paik, Doo Jin [POSCO Kwangyang Steel Works, Gwangyang (Korea, Republic of)
The effect of dynamic flow or forced convection were investigated and compared on the formation of inhibition layer, galvanizing and galvannealing reactions through the hot-dip galvanizing simulator with the oscillation of specimen in zinc bath, continuous galvanizing pilot plant with zinc pumping system through the snout and continuous galvanizing operation with Dynamic Galvanizing{sup TR} system. The interfacial Al pick-up was not consistent between the results of simulator, pilot plant and line operation, but the morphology of inhibition layer became compact and refined by the forced convection. The growth of Fe-Zn intermetallics at the interface was inhibited by the forced convection, whereas the galvannealing rate would be a little promoted.
Effect of Dynamic Flow on the Structure of Inhibition Layer in Hot-dip Galvanizing
International Nuclear Information System (INIS)
Jin, Young Sool; Kim, Myung Soo; Kim, Su Young; Paik, Doo Jin
The effect of dynamic flow or forced convection were investigated and compared on the formation of inhibition layer, galvanizing and galvannealing reactions through the hot-dip galvanizing simulator with the oscillation of specimen in zinc bath, continuous galvanizing pilot plant with zinc pumping system through the snout and continuous galvanizing operation with Dynamic Galvanizing TR system. The interfacial Al pick-up was not consistent between the results of simulator, pilot plant and line operation, but the morphology of inhibition layer became compact and refined by the forced convection. The growth of Fe-Zn intermetallics at the interface was inhibited by the forced convection, whereas the galvannealing rate would be a little promoted
Structural dynamic modification
Indian Academy of Sciences (India)
and stiffness matrices) andaor modal parameters, in order to acquire some ... For the above reasons, another modification approach is presented here ... The data necessary to solve the direct problem are dynamic behaviour of the original.
Influence of the added mass effect and boundary conditions on the dynamic response of submerged and confined structures
International Nuclear Information System (INIS)
Valentín, D; Presas, A; Egusquiza, E; Valero, C
The dynamic response of submerged and confined disk-like structures is of interest in the flied of hydraulic machinery, especially in hydraulic turbine runners. This response is difficult to be estimated with accuracy due to the strong influence of the boundary conditions. Small radial gaps as well as short axial distances to rigid surfaces greatly modify the dynamic response because the fact of the added mass and damping effects. Moreover, the effect of the shaft coupling is also important for certain mode-shapes of the structure. In the present study, the influence of the added mass effect and boundary conditions on the dynamic behavior of a submerged disk attached to a shaft is evaluated through experimental tests and structural- acoustic coupling numerical simulations. For the experimentation, a test rig has been developed. It consists of a confined disk attached to a shaft inside a cylindrical container full of water. The disk can be fixed at different axial positions along the shaft. Piezoelectric patches are used to excite the disk and the response is measured with submersible accelerometers. For each configuration tested, the natural frequencies of the disk and the shaft are studied. Numerical results have been compared with experimental results
Dynamic testing of cable structures
Directory of Open Access Journals (Sweden)
Caetano Elsa
Full Text Available The paper discusses the role of dynamic testing in the study of cable structures. In this context, the identification of cable force based on vibration measurements is discussed. Vibration and damping assessment are then introduced as the focus of dynamic monitoring systems, and particular aspects of the structural behaviour under environmental loads are analysed. Diverse application results are presented to support the discussion centred on cable-stayed bridges, roof structures, a guyed mast and a transmission line.
Structural and lattice dynamics studies of microcrystals by means of the Moessbauer effect spectroscopy
International Nuclear Information System (INIS)
Pasternak, M.
Moessbauer studies on 129 I, 57 Fe and 119 Sn were conducted in several disordered and microscopic systems in order to investigate properties of lattice dynamics, chemical bonding and phase transitions. The project included the following studies: (1) Granular crystals of Sn embedded in tin-oxide matrix; the nature of the superconductivity transition of very small grains of tin was investigated. (2) Lattice dynamics and characterization of amorphous tin oxide obtained by condensing atoms of Sn and O 2 gas on a 77 K substrate. The hyperfine interaction and the temperature dependence of the Debye-Waller factor were essential to determine the structure of the amorphous tin oxide. (3) The nature of the chemical bond of the alkaly halides ionic crystals and molecules; molecules of Li, Na, K, Rb and Cs iodides were trapped in agron matrices, and the isomer-shift values were obtained from absorption spectra. (4) Binding of single iron and tin atoms to CH 4 , NH 3 , H 2 and C 6 H 6 molecules, with samples at low temperatures between 2 and 77 K; conclusions were derived regarding the cryochemistry of these systems, as related to fundamental problems of catalysis, chemisorption and ''cracking'' of organic molecules
The effect of STDP temporal kernel structure on the learning dynamics of single excitatory and inhibitory synapses.
Directory of Open Access Journals (Sweden)
Yotam Luz
Full Text Available Spike-Timing Dependent Plasticity (STDP is characterized by a wide range of temporal kernels. However, much of the theoretical work has focused on a specific kernel - the "temporally asymmetric Hebbian" learning rules. Previous studies linked excitatory STDP to positive feedback that can account for the emergence of response selectivity. Inhibitory plasticity was associated with negative feedback that can balance the excitatory and inhibitory inputs. Here we study the possible computational role of the temporal structure of the STDP. We represent the STDP as a superposition of two processes: potentiation and depression. This allows us to model a wide range of experimentally observed STDP kernels, from Hebbian to anti-Hebbian, by varying a single parameter. We investigate STDP dynamics of a single excitatory or inhibitory synapse in purely feed-forward architecture. We derive a mean-field-Fokker-Planck dynamics for the synaptic weight and analyze the effect of STDP structure on the fixed points of the mean field dynamics. We find a phase transition along the Hebbian to anti-Hebbian parameter from a phase that is characterized by a unimodal distribution of the synaptic weight, in which the STDP dynamics is governed by negative feedback, to a phase with positive feedback characterized by a bimodal distribution. The critical point of this transition depends on general properties of the STDP dynamics and not on the fine details. Namely, the dynamics is affected by the pre-post correlations only via a single number that quantifies its overlap with the STDP kernel. We find that by manipulating the STDP temporal kernel, negative feedback can be induced in excitatory synapses and positive feedback in inhibitory. Moreover, there is an exact symmetry between inhibitory and excitatory plasticity, i.e., for every STDP rule of inhibitory synapse there exists an STDP rule for excitatory synapse, such that their dynamics is identical.
Effects of structural error on the estimates of parameters of dynamical systems
Hadaegh, F. Y.; Bekey, G. A.
In this paper, the notion of 'near-equivalence in probability' is introduced for identifying a system in the presence of several error sources. Following some basic definitions, necessary and sufficient conditions for the identifiability of parameters are given. The effects of structural error on the parameter estimates for both the deterministic and stochastic cases are considered.
Structure of the X-ray photoelectron spectra of fluorides and oxides of lanthanides connected with the dynamic effect
International Nuclear Information System (INIS)
Teterin, Yu.A.; Teterin, A.Yu.; Lebedev, A.M.; Utkin, I.O.; Nikitin, A.S.
Impact of dynamic effect on the fine structure of the X-ray electron spectra of the lanthanide oxides and fluorides is considered. Significant complication of the Ln4p-electrons occurs due to interaction of configurations of the basic single-hole and additional two-hole finite states of the 4p 5 4d 10 4f n ↔ 4p 6 4d 8 4f n+1 type. Impact of the atoms nature of the nearest surrounding of the lanthanides ions on the parameters of such fine structure is evaluated [ru
Effects of soil–structure interaction on real time dynamic response of offshore wind turbines on monopiles
DEFF Research Database (Denmark)
Damgaard, M.; Zania, Varvara; Andersen, L.V.
, a computationally efficient modelling approach of including the dynamic soil–structure interaction into aeroelastic codes is presented with focus on monopile foundations. Semi-analytical frequency-domain solutions are applied to evaluate the dynamic impedance functions of the soil–pile system at a number...... of discrete frequencies. Based on a general and very stable fitting algorithm, a consistent lumped-parameter model of optimal order is calibrated to the impedance functions and implemented into the aeroelastic nonlinear multi-body code HAWC2 to facilitate the time domain analysis of a wind turbine under...... normal operating mode. The aeroelastic response is evaluated for three different foundation conditions, i.e. apparent fixity length, the consistent lumped-parameter model and fixed support at the seabed. The effect of soil–structure interaction is shown to be critical for the design, estimated in terms...
Sex difference and Allee effects shape the dynamics of sex-structured invasions.
Shaw, Allison K; Kokko, Hanna; Neubert, Michael G
The rate at which a population grows and spreads can depend on individual behaviour and interactions with others. In many species with two sexes, males and females differ in key life-history traits (e.g. growth, survival and dispersal), which can scale up to affect population rates of growth and spread. In sexually reproducing species, the mechanics of locating mates and reproducing successfully introduce further complications for predicting the invasion speed (spread rate), as both can change nonlinearly with density. Most models of population spread are based on one sex, or include limited aspects of sex differences. Here we ask whether and how the dynamics of finding mates interact with sex-specific life-history traits to influence the rate of population spread. We present a hybrid approach for modelling invasions of populations with two sexes that links individual-level mating behaviour (in an individual-based model) to population-level dynamics (in an integrodifference equation model). We find that limiting the amount of time during which individuals can search for mates causes a demographic Allee effect which can slow, delay, or even prevent an invasion. Furthermore, any sex-based asymmetries in life history or behaviour (skewed sex ratio, sex-biased dispersal, and sex-specific mating behaviours) amplify these effects. In contrast, allowing individuals to mate more than once ameliorates these effects, enabling polygynandrous populations to invade under conditions where monogamously mating populations would fail to establish. We show that details of individuals' mating behaviour can impact the rate of population spread. Based on our results, we propose a stricter definition of a mate-finding Allee effect, which is not met by the commonly used minimum mating function. Our modelling approach, which links individual- and population-level dynamics in a single model, may be useful for exploring other aspects of individual behaviour that are thought to impact the
Structural dynamic modifications via models
Indian Academy of Sciences (India)
The study shows that as many as half of the matrix ... the dynamicist's analytical modelling skill which would appear both in the numerator as. Figure 2. ..... Brandon J A 1990 Strategies for structural dynamic modification (New York: John Wiley).
DEFF Research Database (Denmark)
Nielsen, Søren R.K.
The present textbook has been written for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M.Sc. students in structural engineering.......The present textbook has been written for a course on stochastic vibration theory that is being given on the 9th semester at Aalborg University for M.Sc. students in structural engineering....
Cumulative effect of structural nonlinearities: chaotic dynamics of cantilever beam system with impacts
International Nuclear Information System (INIS)
Emans, Joseph; Wiercigroch, Marian; Krivtsov, Anton M.
The nonlinear analysis of a common beam system was performed, and the method for such, outlined and presented. Nonlinear terms for the governing dynamic equations were extracted and the behaviour of the system was investigated. The analysis was carried out with and without physically realistic parameters, to show the characteristics of the system, and the physically realistic responses. Also, the response as part of a more complex system was considered, in order to investigate the cumulative effects of nonlinearities. Chaos, as well as periodic motion was found readily for the physically unrealistic parameters. In addition, nonlinear behaviour such as co-existence of attractors was found even at modest oscillation levels during investigations with realistic parameters. When considered as part of a more complex system with further nonlinearities, comparisons with linear beam theory show the classical approach to be lacking in accuracy of qualitative predictions, even at weak oscillations
Effects of system size and cooling rate on the structure and properties of sodium borosilicate glasses from molecular dynamics simulations.
Deng, Lu; Du, Jincheng
Borosilicate glasses form an important glass forming system in both glass science and technologies. The structure and property changes of borosilicate glasses as a function of thermal history in terms of cooling rate during glass formation and simulation system sizes used in classical molecular dynamics (MD) simulation were investigated with recently developed composition dependent partial charge potentials. Short and medium range structural features such as boron coordination, Si and B Q n distributions, and ring size distributions were analyzed to elucidate the effects of cooling rate and simulation system size on these structure features and selected glass properties such as glass transition temperature, vibration density of states, and mechanical properties. Neutron structure factors, neutron broadened pair distribution functions, and vibrational density of states were calculated and compared with results from experiments as well as ab initio calculations to validate the structure models. The results clearly indicate that both cooling rate and system size play an important role on the structures of these glasses, mainly by affecting the 3 B and 4 B distributions and consequently properties of the glasses. It was also found that different structure features and properties converge at different sizes or cooling rates; thus convergence tests are needed in simulations of the borosilicate glasses depending on the targeted properties. The results also shed light on the complex thermal history dependence on structure and properties in borosilicate glasses and the protocols in MD simulations of these and other glass materials.
Effects of system size and cooling rate on the structure and properties of sodium borosilicate glasses from molecular dynamics simulations
Deng, Lu; Du, Jincheng
Borosilicate glasses form an important glass forming system in both glass science and technologies. The structure and property changes of borosilicate glasses as a function of thermal history in terms of cooling rate during glass formation and simulation system sizes used in classical molecular dynamics (MD) simulation were investigated with recently developed composition dependent partial charge potentials. Short and medium range structural features such as boron coordination, Si and B Qn distributions, and ring size distributions were analyzed to elucidate the effects of cooling rate and simulation system size on these structure features and selected glass properties such as glass transition temperature, vibration density of states, and mechanical properties. Neutron structure factors, neutron broadened pair distribution functions, and vibrational density of states were calculated and compared with results from experiments as well as ab initio calculations to validate the structure models. The results clearly indicate that both cooling rate and system size play an important role on the structures of these glasses, mainly by affecting the 3B and 4B distributions and consequently properties of the glasses. It was also found that different structure features and properties converge at different sizes or cooling rates; thus convergence tests are needed in simulations of the borosilicate glasses depending on the targeted properties. The results also shed light on the complex thermal history dependence on structure and properties in borosilicate glasses and the protocols in MD simulations of these and other glass materials.
A functional-structural kiwifruit vine model integrating architecture, carbon dynamics and effects of the environment.
Cieslak, Mikolaj; Seleznyova, Alla N; Hanan, Jim
Functional-structural modelling can be used to increase our understanding of how different aspects of plant structure and function interact, identify knowledge gaps and guide priorities for future experimentation. By integrating existing knowledge of the different aspects of the kiwifruit (Actinidia deliciosa) vine's architecture and physiology, our aim is to develop conceptual and mathematical hypotheses on several of the vine's features: (a) plasticity of the vine's architecture; (b) effects of organ position within the canopy on its size; (c) effects of environment and horticultural management on shoot growth, light distribution and organ size; and (d) role of carbon reserves in early shoot growth. Using the L-system modelling platform, a functional-structural plant model of a kiwifruit vine was created that integrates architectural development, mechanistic modelling of carbon transport and allocation, and environmental and management effects on vine and fruit growth. The branching pattern was captured at the individual shoot level by modelling axillary shoot development using a discrete-time Markov chain. An existing carbon transport resistance model was extended to account for several source/sink components of individual plant elements. A quasi-Monte Carlo path-tracing algorithm was used to estimate the absorbed irradiance of each leaf. Several simulations were performed to illustrate the model's potential to reproduce the major features of the vine's behaviour. The model simulated vine growth responses that were qualitatively similar to those observed in experiments, including the plastic response of shoot growth to local carbon supply, the branching patterns of two Actinidia species, the effect of carbon limitation and topological distance on fruit size and the complex behaviour of sink competition for carbon. The model is able to reproduce differences in vine and fruit growth arising from various experimental treatments. This implies it will be a valuable
DEFF Research Database (Denmark)
Tsakalidis, Konstantinos
multi-versioned indexing database. We first present a generic method for making data structures fully persistent in external memory. This method can render any database multi-versioned, as long as its implementation abides by our assumptions. We obtain the result by presenting an implementation of B...
Effects of temperature and void on the dynamics and microstructure of structural transition in single crystal iron
Shao, Jian-Li; Wang, Pei; Zhang, Feng-Guo; He, An-Min
With classic molecular dynamics simulations, we investigate the effects of temperature and void on the bcc to hcp/fcc structural transition in single crystal iron driven by 1D ([0 0 1]) and 3D (uniform) compressions. The results show that the pressure threshold does not reduce monotonously with temperature. The pressure threshold firstly increases and then decreases in the range of 60–360 K under 1D compression, while the variation trend is just opposite under 3D compression. As expected, the initial defect may lower the pressure threshold via heterogenous nucleation. This effect is found to be more distinct at lower temperature, and the heterogenous nucleation mainly results in hcp structure. Under the condition of strain constraint, the products of structural transition will respectively form flaky hcp twin structure ((1 0 0) or (0 1 0)) and lamellar structure ({1 1 0}) of mixed phases under 1D and 3D compressions. During the structural transition, we find the shear stress (1D compression) of hcp phase is always lower than that of bcc phase. The cold energy calculations indicate that the hcp phase is the most stable under high pressure. However, we observe the evident metastable state of bcc phase, whose energy will be much higher than both hcp and fcc phases, and then provides the possibility for the occurrence of fcc nucleation.
Cantat, Isabelle; Graner, François; Pitois, Olivier; Höhler, Reinard; Elias, Florence; Saint-Jalmes, Arnaud; Rouyer, Florence
This book is the first to provide a thorough description of all aspects of the physico-chemical properties of foams. It sets out what is known about their structure, their stability, and their rheology. Engineers, researchers and students will find descriptions of all the key concepts, illustrated by numerous applications, as well as experiments and exercises for the reader. A solutions manual for lecturers is available via the publisher's web site.
Effect of the three-dimensional structure of laser emission on the dynamics of low-threshold optical breakdown plasmas
Anisimov, V. N.; Arutiunian, R. V.; Bol'Shov, L. A.; Derkach, O. N.; Kanevskii, M. F.
The effect of the transverse structure of pulsed CO2 laser emission on the dynamics of laser-induced detonation waves propagating from a metal surface and on plasma transparency recovery is investigated theoretically and experimentally. Particular attention is given to breakdown initiation near the surface. It is suggested that the inclusion of refraction in the plasma into a self-consistent numerical mode is essential for the adequate quantitative description of experimental data on the interaction of laser emission with low-threshold optical breakdown plasmas.
Dynamic buckling of inelastic structures
International Nuclear Information System (INIS)
Pegon, P.; Guelin, P.
The aim of this paper is to provide research engineers with a method of approach, qualitative feature and order of magnitude of the relevant parameters in the field of dynamic buckling of structures exhibiting constitutive irreversibility and geometrical, constitutive or loading imperfections. It is difficult to adjust some of the classical analysis of the quasi-static elastic case. There remain also some difficulties in justifying the choice of constitutive schemes and in dealing with general kinematic formulation. Moreover, the interpretation of dynamical experimental data is not an easy matter. Consequently, the attempts described here use a simple symbolic model including all essential physical aspects. This symbolic model, of discrete character, is an n-hinged strut with masses located at each n+1 joint. The constitutive properties of the strut and hinge are defined using the same method: a dash-pot is in parallel with a two fold element (spring and friction-slider in series). The intrinsic restrictions are: the two dimensionality assumption, however no additional hypothesis are made concerning the kinematic of the constitutive elements; the use of simple sources of intrinsic dissipation. The relevant question of the longitudinal-transverse coupling effects is studied. Then, after various validation, we verify that a Lagrange resolution of this n+1 body problem gives physical relevant qualitative results concerning rods and cylindrical shells subjected to impact loading. (orig./RW)
Dynamic Analysis of AP1000 Shield Building Considering Fluid and Structure Interaction Effects
Directory of Open Access Journals (Sweden)
Qiang Xu
Full Text Available The shield building of AP1000 was designed to protect the steel containment vessel of the nuclear reactor. Therefore, the safety and integrity must be ensured during the plant life in any conditions such as an earthquake. The aim of this paper is to study the effect of water in the water tank on the response of the AP1000 shield building when subjected to three-dimensional seismic ground acceleration. The smoothed particle hydrodynamics method (SPH and finite element method (FEM coupling method is used to numerically simulate the fluid and structure interaction (FSI between water in the water tank and the AP1000 shield building. Then the grid convergence of FEM and SPH for the AP1000 shield building is analyzed. Next the modal analysis of the AP1000 shield building with various water levels (WLs in the water tank is taken. Meanwhile, the pressure due to sloshing and oscillation of the water in the gravity drain water tank is studied. The influences of the height of water in the water tank on the time history of acceleration of the AP1000 shield building are discussed, as well as the distributions of amplification, acceleration, displacement, and stresses of the AP1000 shield building. Research on the relationship between the WLs in the water tank and the response spectrums of the structure are also taken. The results show that the high WL in the water tank can limit the vibration of the AP1000 shield building and can more efficiently dissipate the kinetic energy of the AP1000 shield building by fluid-structure interaction.
Dynamic nucleus deformability and its effect on the structure of photoabsorption cross section and photodisintegration characteristics
International Nuclear Information System (INIS)
Zhivopistsev, F.A.; Shitikova, K.V.
Considered is a microscopic theory of specific highly excited states of atomic nuclei-gigantic dipole resonances. Special attention is paid to the effect of complex states of different nature on the structure of the gigantic resonance and characteristics of photodisintegration. The pinning process by more complex states (both of collective and noncollective nature) brings about a condition, when a number of quasiparticles is added to the filled shell, so that the spheric nucleus form would become unstable (to the change of surface properties, ect.). In this case the closed shell is broken, that causes an increase of deformability of the nucleus composition in a highly excited state. The statistical group of 2p2h, 3p3h, et. states is of great value in explanation of characteristics of atomic nuclei photodisintegration, for it provides a statistical, irreversible process of preequilibrium decomposition
Dynamic Analysis of Partially Embedded Structures Considering Soil-Structure Interaction in Time Domain
Mahmoudpour, Sanaz; Attarnejad, Reza; Behnia, Cambyse
Analysis and design of structures subjected to arbitrary dynamic loadings especially earthquakes have been studied during past decades. In practice, the effects of soil-structure interaction on the dynamic response of structures are usually neglected. In this study, the effect of soil-structure interaction on the dynamic response of structures has been examined. The substructure method using dynamic stiffness of soil is used to analyze soil-structure system. A coupled model based on finite el...
Coherent structures and dynamical systems
Jimenez, Javier
Any flow of a viscous fluid has a finite number of degrees of freedom, and can therefore be seen as a dynamical system. A coherent structure can be thought of as a lower dimensional manifold in whose neighborhood the dynamical system spends a substantial fraction of its time. If such a manifold exists, and if its dimensionality is substantially lower that that of the full flow, it is conceivable that the flow could be described in terms of the reduced set of degrees of freedom, and that such a description would be simpler than one in which the existence of structure was not recognized. Several examples are briefly summarized.
Effects of Added Mass and Structural Damping on Dynamic Responses of a 3D Wedge Impacting on Water
Directory of Open Access Journals (Sweden)
Pengyao Yu
Full Text Available The impact between the wave and the bottom of a high-speed vessel is often simplified as water-entry problems of wedges. Most investigations focus on the water entry of two dimensional (2D wedges. The effects of added mass and structural damping are still not fully investigated. By combining the normal mode method, the hydrodynamic impact model of rigid wedges and the potential flow theory, a dynamic model for predicting the response of a three dimensional (3D wedge impacting on water with a constant velocity is established in this paper. The present model can selectively consider the effects of the added mass and the structural damping. The present method has been validated through comparisons with results of published literatures and commercial software. It is found that the added mass can increase the stress response before the flow separation, and reduce the vibration frequency after the flow separation. Due to the effect of the added mass, the stress response of some positions after the flow separation is even higher than that before the flow separation. The structural damping has a negligible effect on the stress before the flow separation, but it can reduce vibration stress after the flow separation.
Structural Dynamic Behavior of Wind Turbines
Thresher, Robert W.; Mirandy, Louis P.; Carne, Thomas G.; Lobitz, Donald W.; James, George H. III
The structural dynamicist s areas of responsibility require interaction with most other members of the wind turbine project team. These responsibilities are to predict structural loads and deflections that will occur over the lifetime of the machine, ensure favorable dynamic responses through appropriate design and operational procedures, evaluate potential design improvements for their impact on dynamic loads and stability, and correlate load and control test data with design predictions. Load prediction has been a major concern in wind turbine designs to date, and it is perhaps the single most important task faced by the structural dynamics engineer. However, even if we were able to predict all loads perfectly, this in itself would not lead to an economic system. Reduction of dynamic loads, not merely a "design to loads" policy, is required to achieve a cost-effective design. The two processes of load prediction and structural design are highly interactive: loads and deflections must be known before designers and stress analysts can perform structural sizing, which in turn influences the loads through changes in stiffness and mass. Structural design identifies "hot spots" (local areas of high stress) that would benefit most from dynamic load alleviation. Convergence of this cycle leads to a turbine structure that is neither under-designed (which may result in structural failure), nor over-designed (which will lead to excessive weight and cost).
Coherent Structure Dynamics and Turbulent Effects of Horizontal Axis Marine Energy Devices
Gajardo, D. I.; Escauriaza, C. R.; Ingram, D.
Harnessing the energy available in the oceans constitutes one of the most promising alternatives for generating clean electricity. There are vast amounts of energy present both in waves and tidal currents so it is anticipated that marine energy will have a major role in non-conventional renewable energy generation in the near to mid future. Nevertheless, before marine hydrokinetic (MHK) devices can be installed in large numbers a better understanding of the physical, social and environmental implications of their operation is needed. This includes understanding the: hydrodynamic processes, interaction with bathymetry, and the local flow characteristics. This study is focused on the effects horizontal axis MHK devices have on flow turbulence and coherent structures. This is especially relevant considering that sites with favourable conditions for MHK devices are tidal channels where a delicate balance exists between the strong tidal currents and the ecosystems. Understanding how MHK devices influence flow conditions, turbulence and energy flux is essential for predicting and assessing the environmental implications of deploying MHK technologies. We couple a Blade Element Momentum Actuator Disk (BEM-AD) model to a Detached Eddy Simulation (DES) flow solver in order to study flow conditions for different configurations of horizontal axis MHK turbines. In this study, we contribute to the understanding of the hydrodynamic behaviour of MHK technologies, and give insights into the effects devices will have on their environment, with emphasis in ambient turbulence and flow characteristics, while keeping in mind that these effects can alter electricity quality and device performance. Work supported by CONICYT grant 80160084, Fondecyt grant 1130940, Chile's Marine Energy Research & Innovation Center (MERIC) CORFO project 14CEI2-28228, and the collaboration between the Pontificia Universidad Católica de Chile and the University of Edinburgh, UK, partially supported by the RC
Relating structure and dynamics in organisation models
Jonkers, C.M.; Treur, J.
To understand how an organisational structure relates to dynamics is an interesting fundamental challenge in the area of social modelling. Specifications of organisational structure usually have a diagrammatic form that abstracts from more detailed dynamics. Dynamic properties of agent systems,
Effects of structural and dynamic family characteristics on the development of depressive and aggressive problems during adolescence. The TRAILS study.
Sijtsema, J J; Oldehinkel, A J; Veenstra, R; Verhulst, F C; Ormel, J
Both structural (i.e., SES, familial psychopathology, family composition) and dynamic (i.e., parental warmth and rejection) family characteristics have been associated with aggressive and depressive problem development. However, it is unclear to what extent (changes in) dynamic family characteristics have an independent effect on problem development while accounting for stable family characteristics and comorbid problem development. This issue was addressed by studying problem development in a large community sample (N = 2,230; age 10-20) of adolescents using Linear Mixed models. Paternal and maternal warmth and rejection were assessed via the Egna Minnen Beträffande Uppfostran for Children (EMBU-C). Aggressive and depressive problems were assessed via subscales of the Youth/Adult Self-Report. Results showed that dynamic family characteristics independently affected the development of aggressive problems. Moreover, maternal rejection in preadolescence and increases in paternal rejection were associated with aggressive problems, whereas decreases in maternal rejection were associated with decreases in depressive problems over time. Paternal and maternal warmth in preadolescence was associated with fewer depressive problems during adolescence. Moreover, increases in paternal warmth were associated with fewer depressive problems over time. Aggressive problems were a stable predictor of depressive problems over time. Finally, those who increased in depressive problems became more aggressive during adolescence, whereas those who decreased in depressive problems became also less aggressive. Besides the effect of comorbid problems, problem development is to a large extent due to dynamic family characteristics, and in particular to changes in parental rejection, which leaves much room for parenting-based interventions.
Static and Dynamic Membrane Structures
Directory of Open Access Journals (Sweden)
Sergiu Ivanov
Full Text Available While originally P systems were defined to contain multiset rewriting rules, it turned out that considering different types of rules may produce important results, such as increasing the computational power of the rules. This paper focuses on factoring out the concept of a membrane structure out of various P system models with the goal of providing useful formalisations. Both static and dynamic membrane structures are considered.
Dynamic response of structures with uncertain parameters
International Nuclear Information System (INIS)
Cai, Z H; Liu, Y; Yang, Y
In this paper, an interval method for the dynamic response of structures with uncertain parameters is presented. In the presented method, the structural physical and geometric parameters and loads can be considered as interval variables. The structural stiffness matrix, mass matrix and loading vectors are described as the sum of two parts corresponding to the deterministic matrix and the uncertainty of the interval parameters. The interval problem is then transformed into approximate deterministic one. The Laplace transform is used to transform the equations of the dynamic system into linear algebra equations. The Maclaurin series expansion is applied on the modified dynamic equation in order to deal with the linear algebra equations. Numerical examples are studied by the presented interval method for the cases with and without damping. The upper bound and lower bound of the dynamic responses of the examples are compared, and it shows that the presented method is effective.
Modeling and identification in structural dynamics
Jayakumar, Paramsothy
Analytical modeling of structures subjected to ground motions is an important aspect of fully dynamic earthquake-resistant design. In general, linear models are only sufficient to represent structural responses resulting from earthquake motions of small amplitudes. However, the response of structures during strong ground motions is highly nonlinear and hysteretic. System identification is an effective tool for developing analytical models from experimental data. Testing of full-scale prot...
Structural system identification: Structural dynamics model validation
Energy Technology Data Exchange (ETDEWEB)
Red-Horse, J.R.
Structural system identification is concerned with the development of systematic procedures and tools for developing predictive analytical models based on a physical structure`s dynamic response characteristics. It is a multidisciplinary process that involves the ability (1) to define high fidelity physics-based analysis models, (2) to acquire accurate test-derived information for physical specimens using diagnostic experiments, (3) to validate the numerical simulation model by reconciling differences that inevitably exist between the analysis model and the experimental data, and (4) to quantify uncertainties in the final system models and subsequent numerical simulations. The goal of this project was to develop structural system identification techniques and software suitable for both research and production applications in code and model validation.
Effects of structural and dynamic family characteristics on the development of depressive and aggressive problems during adolescence. The TRAILS study
Sijtsema, J.J.; Oldehinkel, A.J.; Veenstra, R.; Verhulst, F.C.; Ormel, J.
Both structural (i.e., SES, familial psychopathology, family composition) and dynamic (i.e., parental warmth and rejection) family characteristics have been associated with aggressive and depressive problem development. However, it is unclear to what extent (changes in) dynamic family
Effects of structural and dynamic family characteristics on the development of depressive and aggressive problems during adolescence. The TRAILS study
Sijtsema, J. J.; Oldehinkel, A. J.; Veenstra, René; Verhulst, F. C.; Ormel, J.
Both structural (i.e., SES, familial psychopathology, family composition) and dynamic (i.e., parental warmth and rejection) family characteristics have been associated with aggressive and depressive problem development. However, it is unclear to what extent (changes in) dynamic family
Analysis of Nonlinear Dynamic Structures
African Journals Online (AJOL)
work a two degrees of freedom nonlinear system with zero memory was ... FRF is the most widely used method in structural dynamics which gives information about the ..... 3.6, which is the waterfall diagram of the same response, as well.
Effect of carotenoid structure on excited-state dynamics of carbonyl carotenoids
Czech Academy of Sciences Publication Activity Database
Chábera, P.; Fuciman, M.; Hříbek, P.; Polívka, Tomáš
Roč. 11, - (2009), s. 8795-8703 ISSN 1463-9076 R&D Projects: GA AV ČR IAA608170604 Institutional research plan: CEZ:AV0Z50510513 Keywords : excited-state dynamics * carbonyl carotenoids * femtosecond spectroscopy Subject RIV: BO - Biophysics Impact factor: 4.116, year: 2009
The effect of point mutations on structure and mechanical properties of collagen-like fibril: A molecular dynamics study
International Nuclear Information System (INIS)
Marlowe, Ashley E.; Singh, Abhishek; Yingling, Yaroslava G.
Understanding sequence dependent mechanical and structural properties of collagen fibrils is important for the development of artificial biomaterials for medical and nanotechnological applications. Moreover, point mutations are behind many collagen associated diseases, including Osteogenesis Imperfecta (OI). We conducted a combination of classical and steered atomistic molecular dynamics simulations to examine the effect of point mutations on structure and mechanical properties of short collagen fibrils which include mutations of glycine to alanine, aspartic acid, cysteine, and serine or mutations of hydroxyproline to arginine, asparagine, glutamine, and lysine. We found that all mutations disrupt structure and reduce strength of the collagen fibrils, which may affect the hierarchical packing of the fibrils. The glycine mutations were more detrimental to mechanical strength of the fibrils (WT > Ala > Ser > Cys > Asp) than that of hydroxyproline (WT > Arg > Gln > Asn > Lys). The clinical outcome for glycine mutations agrees well with the trend in reduction of fibril's tensile strength predicted by our simulations. Overall, our results suggest that the reduction in mechanical properties of collagen fibrils may be used to predict the clinical outcome of mutations. Highlights: ► All mutations disrupt structure and bonding pattern and reduce strength of the collagen fibrils. ► Gly based mutations are worst to mechanical integrity of fibrils than that of Hyp. ► Lys and Arg mutations most dramatically destabilize collagen fibril properties. ► Clinical outcome of mutations may be related to the reduced mechanical properties of fibrils.
The effect of point mutations on structure and mechanical properties of collagen-like fibril: A molecular dynamics study
Energy Technology Data Exchange (ETDEWEB)
Marlowe, Ashley E.; Singh, Abhishek; Yingling, Yaroslava G., E-mail: firstname.lastname@example.com
Understanding sequence dependent mechanical and structural properties of collagen fibrils is important for the development of artificial biomaterials for medical and nanotechnological applications. Moreover, point mutations are behind many collagen associated diseases, including Osteogenesis Imperfecta (OI). We conducted a combination of classical and steered atomistic molecular dynamics simulations to examine the effect of point mutations on structure and mechanical properties of short collagen fibrils which include mutations of glycine to alanine, aspartic acid, cysteine, and serine or mutations of hydroxyproline to arginine, asparagine, glutamine, and lysine. We found that all mutations disrupt structure and reduce strength of the collagen fibrils, which may affect the hierarchical packing of the fibrils. The glycine mutations were more detrimental to mechanical strength of the fibrils (WT > Ala > Ser > Cys > Asp) than that of hydroxyproline (WT > Arg > Gln > Asn > Lys). The clinical outcome for glycine mutations agrees well with the trend in reduction of fibril's tensile strength predicted by our simulations. Overall, our results suggest that the reduction in mechanical properties of collagen fibrils may be used to predict the clinical outcome of mutations. Highlights: Black-Right-Pointing-Pointer All mutations disrupt structure and bonding pattern and reduce strength of the collagen fibrils. Black-Right-Pointing-Pointer Gly based mutations are worst to mechanical integrity of fibrils than that of Hyp. Black-Right-Pointing-Pointer Lys and Arg mutations most dramatically destabilize collagen fibril properties. Black-Right-Pointing-Pointer Clinical outcome of mutations may be related to the reduced mechanical properties of fibrils.
Effects of seed magnetic fields on magnetohydrodynamic implosion structure and dynamics
Mostert, W.; Wheatley, V.; Samtaney, Ravi; Pullin, D. I.
-linearly. We fully characterize these flow structures, examine their axi- and spherisymmetry-breaking behaviour, and provide data on asymmetry evolution for different field strengths and driving pressures for each seed field configuration. We find that out
Effect of Soil-Structure Interaction on Seismic Performance of Long-Span Bridge Tested by Dynamic Substructuring Method
Directory of Open Access Journals (Sweden)
Zhenyun Tang
Full Text Available Because of the limitations of testing facilities and techniques, the seismic performance of soil-structure interaction (SSI system can only be tested in a quite small scale model in laboratory. Especially for long-span bridge, a smaller tested model is required when SSI phenomenon is considered in the physical test. The scale effect resulting from the small scale model is always coupled with the dynamic performance, so that the seismic performance of bridge considering SSI effect cannot be uncovered accurately by the traditional testing method. This paper presented the implementation of real-time dynamic substructuring (RTDS, involving the combined use of shake table array and computational engines for the seismic simulation of SSI. In RTDS system, the bridge with soil-foundation system is divided into physical and numerical substructures, in which the bridge is seen as physical substructures and the remaining part is seen as numerical substructures. The interface response between the physical and numerical substructures is imposed by shake table and resulting reaction force is fed back to the computational engine. The unique aspect of the method is to simulate the SSI systems subjected to multisupport excitation in terms of a larger physical model. The substructuring strategy and the control performance associated with the real-time substructuring testing for SSI were performed. And the influence of SSI on a long-span bridge was tested by this novel testing method.
Dynamics of the polar ionosphere structure disturbance in the Svalgaard-Mansurov effect
International Nuclear Information System (INIS)
Osipov, N.K.; Mozhaev, A.M.; Larina, T.N.; Ponomarev, Yu.N.
Nonstationary disturbance model of the ionsphere of polar caps caused by change of B y component sign of interplanetary magnetic field is considered. It is shown that nonstationary convection transfer of ionospheric plasma represents the main and the most fast mechanism regulating reconstruction of ionosphere structure in polar caps during magnetosphere substorms, caused by the change of B y sign. Calculations show that characteristic time of sufficient change of ionosphere structure at ∼1500 km distances is on the order of 10-25 min
Cooling rate and size effects on the medium-range structure of multicomponent oxide glasses simulated by molecular dynamics
International Nuclear Information System (INIS)
Tilocca, Antonio
A set of molecular dynamics simulations were performed to investigate the effect of cooling rate and system size on the medium-range structure of melt-derived multicomponent silicate glasses, represented by the quaternary 45S5 Bioglass composition. Given the significant impact of the glass degradation on applications of these materials in biomedicine and nuclear waste disposal, bulk structural features which directly affect the glass dissolution process are of particular interest. Connectivity of the silicate matrix, ion clustering and nanosegregation, distribution of ring and chain structural patterns represent critical features in this context, which can be directly extracted from the models. A key issue is represented by the effect of the computational approach on the corresponding glass models, especially in light of recent indications questioning the suitability of conventional MD approaches (that is, involving melt-and-quench of systems containing ∼10 3 atoms at cooling rates of 5-10 K/ps) when applied to model these glasses. The analysis presented here compares MD models obtained with conventional and nonconventional cooling rates and system sizes, highlighting the trend and range of convergence of specific structural features in the medium range. The present results show that time-consuming computational approaches involving much lower cooling rates and/or significantly larger system sizes are in most cases not necessary in order to obtain a reliable description of the medium-range structure of multicomponent glasses. We identify the convergence range for specific properties and use them to discuss models of several glass compositions for which a possible influence of cooling-rate or size effects had been previously hypothesized. The trends highlighted here represent an important reference to obtain reliable models of multicomponent glasses and extract converged medium-range structural features which affect the glass degradation and thus their application
Cooling rate and size effects on the medium-range structure of multicomponent oxide glasses simulated by molecular dynamics
Energy Technology Data Exchange (ETDEWEB)
Tilocca, Antonio [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom)
A set of molecular dynamics simulations were performed to investigate the effect of cooling rate and system size on the medium-range structure of melt-derived multicomponent silicate glasses, represented by the quaternary 45S5 Bioglass composition. Given the significant impact of the glass degradation on applications of these materials in biomedicine and nuclear waste disposal, bulk structural features which directly affect the glass dissolution process are of particular interest. Connectivity of the silicate matrix, ion clustering and nanosegregation, distribution of ring and chain structural patterns represent critical features in this context, which can be directly extracted from the models. A key issue is represented by the effect of the computational approach on the corresponding glass models, especially in light of recent indications questioning the suitability of conventional MD approaches (that is, involving melt-and-quench of systems containing ∼10{sup 3} atoms at cooling rates of 5-10 K/ps) when applied to model these glasses. The analysis presented here compares MD models obtained with conventional and nonconventional cooling rates and system sizes, highlighting the trend and range of convergence of specific structural features in the medium range. The present results show that time-consuming computational approaches involving much lower cooling rates and/or significantly larger system sizes are in most cases not necessary in order to obtain a reliable description of the medium-range structure of multicomponent glasses. We identify the convergence range for specific properties and use them to discuss models of several glass compositions for which a possible influence of cooling-rate or size effects had been previously hypothesized. The trends highlighted here represent an important reference to obtain reliable models of multicomponent glasses and extract converged medium-range structural features which affect the glass degradation and thus their
Effects of growth curve plasticity on size-structured population dynamics
DEFF Research Database (Denmark)
Zhang, Lai; Lin, Zhigui; Pedersen, Michael
The physiological-structured population models assume that a fixed fraction of energy intake is utilized for individual growth and maintenance while the remaining for adult fertility. The assumption results in two concerns: energy loss for juveniles and a reproduction dilemma for adults. The dile...
Effect of bidirectional internal flow on fluid–structure interaction dynamics of conveying marine riser model subject to shear current
Directory of Open Access Journals (Sweden)
Zheng-Shou Chen
Full Text Available This article presents a numerical investigation concerning the effect of two kinds of axially progressing internal flows (namely, upward and downward on fluid–structure interaction (FSI dynamics about a marine riser model which is subject to external shear current. The CAE technology behind the current research is a proposed FSI solution, which combines structural analysis software with CFD technology together. Efficiency validation for the CFD software was carried out first. It has been proved that the result from numerical simulations agrees well with the observation from relating model test cases in which the fluidity of internal flow is ignorable. After verifying the numerical code accuracy, simulations are conducted to study the vibration response that attributes to the internal progressive flow. It is found that the existence of internal flow does play an important role in determining the vibration mode (/dominant frequency and the magnitude of instantaneous vibration amplitude. Since asymmetric curvature along the riser span emerges in the case of external shear current, the centrifugal and Coriolis accelerations owing to up- and downward internal progressive flows play different roles in determining the fluid–structure interaction response. The discrepancy between them becomes distinct, when the velocity ratio of internal flow against external shear current is relatively high.
Effects of sorbitol and glycerol on the structure, dynamics, and stability of Mycobacterium tuberculosis pyrazinamidase
Directory of Open Access Journals (Sweden)
Mehrnoosh Khajehzadeh
Conclusion: It can be concluded that the native conformation of the enzyme was stabilized in the sorbitol and glycerol and tend to exclude from the PZase surface, forcing the enzyme to keep it in the compactly folded conformation. The glycerol molecules stabilized PZase by decreasing the loops flexibility and then compacting the enzyme structure. It appears that more stability of PZase in glycerol solution correlates with its amphiphilic orientation, which decreases the unfavorable interactions of hydrophobic regions.
Natural Poisson structures of nonlinear plasma dynamics
International Nuclear Information System (INIS)
Kaufman, A.N.
Hamiltonian field theories, for models of nonlinear plasma dynamics, require a Poisson bracket structure for functionals of the field variables. These are presented, applied, and derived for several sets of field variables: coherent waves, incoherent waves, particle distributions, and multifluid electrodynamics. Parametric coupling of waves and plasma yields concise expressions for ponderomotive effects (in kinetic and fluid models) and for induced scattering. (Auth.)
Natural Poisson structures of nonlinear plasma dynamics
International Nuclear Information System (INIS)
Kaufman, A.N.
Hamiltonian field theories, for models of nonlinear plasma dynamics, require a Poisson bracket structure for functionals of the field variables. These are presented, applied, and derived for several sets of field variables: coherent waves, incoherent waves, particle distributions, and multifluid electrodynamics. Parametric coupling of waves and plasma yields concise expressions for ponderomotive effects (in kinetic and fluid models) and for induced scattering
Structural and Dynamical Properties of Alkaline Earth Metal Halides in Supercritical Water: Effect of Ion Size and Concentration.
Keshri, Sonanki; Tembe, B L
Constant temperature-constant pressure molecular dynamics simulations have been performed for aqueous alkaline earth metal chloride [M 2+ -Cl - (M = Mg, Ca, Sr, and Ba)] solutions over a wide range of concentrations (0.27-5.55 m) in supercritical (SC) and ambient conditions to investigate their structural and dynamical properties. A strong influence of the salt concentration is observed on the ion-ion pair correlation functions in both ambient and SC conditions. In SC conditions, significant clustering is observed in the 0.27 m solution, whereas the reverse situation is observed at room temperature and this is also supported by the residence times of the clusters. The concentration and ion size (cation size) seem to have opposite effects on the average number of hydrogen bonds. The simulation results show that the self-diffusion coefficients of water, cations, and the chloride ion increase with increasing temperature, whereas they decrease with increasing salt concentration. The cluster size distribution shows a strong density dependence in both ambient and SC conditions. In SC conditions, cluster sizes display a near-Gaussian distribution, whereas the distribution decays monotonically in ambient conditions.
Molecular-dynamics simulations of crosslinking and confinement effects on structure, segmental mobility and mechanics of filled elastomers
Davris, Theodoros; Lyulin, Alexey V.
The significant drop of the storage modulus under uniaxial deformation (Payne effect) restrains the performance of the elastomer-based composites and the development of possible new applications. In this paper molecular-dynamics (MD) computer simulations using LAMMPS MD package have been performed to study the mechanical properties of a coarse-grained model of this family of nanocomposite materials. Our goal is to provide simulational insights into the viscoelastic properties of filled elastomers, and try to connect the macroscopic mechanics with composite microstructure, the strength of the polymer-filler interactions and the polymer mobility at different scales. To this end we simulate random copolymer films capped between two infinite solid (filler aggregate) walls. We systematically vary the strength of the polymer-substrate adhesion interactions, degree of polymer confinement (film thickness), polymer crosslinking density, and study their influence on the equilibrium and non-equilibrium structure, segmental dynamics, and the mechanical properties of the simulated systems. The glass-transition temperature increases once the mesh size became smaller than the chain radius of gyration; otherwise it remained invariant to mesh-size variations. This increase in the glass-transition temperature was accompanied by a monotonic slowing-down of segmental dynamics on all studied length scales. This observation is attributed to the correspondingly decreased width of the bulk density layer that was obtained in films whose thickness was larger than the end-to-end distance of the bulk polymer chains. To test this hypothesis additional simulations were performed in which the crystalline walls were replaced with amorphous or rough walls.
Molecular dynamics studies on the structural effects of displacement cascades in UO2 matrix
International Nuclear Information System (INIS)
Brutzel, L. Van; Rarivomanantsoa, M.; Ghaleb, D.
A set of molecular dynamics simulations have been carried out in order to study, at the atomic scale, the ballistic damages undergo by the UO 2 matrix. The morphologies of the displacement cascades simulations initiated by an uranium atoms with a Primary Knout on Atom (PKA) energy ranges from 1 keV to 20 keV are analysed. In agreement with all the experimental results no amorphization has been found even at small scales. For the cascade initiated with a PKA energy of 20 keV several sub-cascade branches appear in many directions from the cascade core. It seems that these sub-cascades arise from a quasi channeling of uranium atoms in specific direction over long distances. However, in average the atoms are displaced no more than 2 to 3 crystallographic sites. The evolution of the Frenkel pairs with the initial energy of the PKA exhibits a power law behavior with an exponent close to 0.9 showing a discrepancy with the linear NRT law. No significant clustering of local defects such as vacancies and interstitials have been found, nevertheless vacancies are preferentially created near the core of the cascade whereas the atoms in interstitial positions are mainly located at the periphery of the sub-cascade branches. (authors)
The Effect of Shear Wall Distribution on the Dynamics of Reinforced Concrete Structures
Helou, S. H.; Touqan, A. R.
The inclusion of a soft storey in multistory concrete buildings is a feature gaining popularity in urban areas where land is of exorbitant cost. In earthquake prone zones, this feature has been observed in post earthquake investigations. Although engineers are prepared to accept the notion that a soft storey poses a weak link in Seismic Design, yet the idea demands better understanding. The following study illustrates the importance of the judicious distribution of shear walls. The selected building is analyzed through nine numerical models which address the behavior of framed structures. The parameters discussed include, inter alias, the fundamental period of vibration, lateral displacements, axial and shear forces. It is noticed that an abrupt change in stiffness between the soft storey and the level above is responsible for increasing the strength demand on first storey columns. Extending the elevator shafts throughout the soft storey is strongly recommended.
The Effect of Shear Wall Distribution on the Dynamics of Reinforced Concrete Structures
International Nuclear Information System (INIS)
Helou, S. H.; Touqan, A. R.
The inclusion of a soft storey in multistory concrete buildings is a feature gaining popularity in urban areas where land is of exorbitant cost. In earthquake prone zones, this feature has been observed in post earthquake investigations. Although engineers are prepared to accept the notion that a soft storey poses a weak link in Seismic Design, yet the idea demands better understanding. The following study illustrates the importance of the judicious distribution of shear walls. The selected building is analyzed through nine numerical models which address the behavior of framed structures. The parameters discussed include, inter alias, the fundamental period of vibration, lateral displacements, axial and shear forces. It is noticed that an abrupt change in stiffness between the soft storey and the level above is responsible for increasing the strength demand on first storey columns. Extending the elevator shafts throughout the soft storey is strongly recommended
The effect of clumped population structure on the variability of spreading dynamics.
Black, Andrew J; House, Thomas; Keeling, Matt J; Ross, Joshua V
Processes that spread through local contact, including outbreaks of infectious diseases, are inherently noisy, and are frequently observed to be far noisier than predicted by standard stochastic models that assume homogeneous mixing. One way to reproduce the observed levels of noise is to introduce significant individual-level heterogeneity with respect to infection processes, such that some individuals are expected to generate more secondary cases than others. Here we consider a population where individuals can be naturally aggregated into clumps (subpopulations) with stronger interaction within clumps than between them. This clumped structure induces significant increases in the noisiness of a spreading process, such as the transmission of infection, despite complete homogeneity at the individual level. Given the ubiquity of such clumped aggregations (such as homes, schools and workplaces for humans or farms for livestock) we suggest this as a plausible explanation for noisiness of many epidemic time series. Copyright © 2014 Elsevier Ltd. All rights reserved.
Hysteresis in magnetic materials: the role of structural disorder, thermal relaxation, and dynamic effects
International Nuclear Information System (INIS)
Bertotti, G.; Basso, V.; Beatrice, C.; LoBue, M.; Magni, A.; Tiberto, P.
An overview is given of the present understanding of hysteresis phenomena in magnetic materials. The problem is addressed from three approximate viewpoints: the connection between rate-independent hysteresis and micromagnetics; the modifications brought into this picture by thermal relaxation effects; the role of rate-dependent magnetization mechanisms, like eddy-current-damped domain wall motion
Dynamic structural disorder in supported nanoscale catalysts
International Nuclear Information System (INIS)
Rehr, J. J.; Vila, F. D.
We investigate the origin and physical effects of "dynamic structural disorder" (DSD) in supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structure of such nano-scale systems. In contrast to bulk materials, nano-scale systems exhibit substantial fluctuations in structure, charge, temperature, and other quantities, as well as large surface effects. The DSD is driven largely by the stochastic librational motion of the center of mass and fluxional bonding at the nanoparticle surface due to thermal coupling with the substrate. Our approach for calculating and understanding DSD is based on a combination of real-time density functional theory/molecular dynamics simulations, transient coupled-oscillator models, and statistical mechanics. This approach treats thermal and dynamic effects over multiple time-scales, and includes bond-stretching and -bending vibrations, and transient tethering to the substrate at longer ps time-scales. Potential effects on the catalytic properties of these clusters are briefly explored. Model calculations of molecule-cluster interactions and molecular dissociation reaction paths are presented in which the reactant molecules are adsorbed on the surface of dynamically sampled clusters. This model suggests that DSD can affect both the prefactors and distribution of energy barriers in reaction rates, and thus can significantly affect catalytic activity at the nano-scale
Dynamic structural disorder in supported nanoscale catalysts
Energy Technology Data Exchange (ETDEWEB)
Rehr, J. J.; Vila, F. D. [Department of Physics, University of Washington, Seattle, Washington 98195 (United States)
We investigate the origin and physical effects of "dynamic structural disorder" (DSD) in supported nano-scale catalysts. DSD refers to the intrinsic fluctuating, inhomogeneous structure of such nano-scale systems. In contrast to bulk materials, nano-scale systems exhibit substantial fluctuations in structure, charge, temperature, and other quantities, as well as large surface effects. The DSD is driven largely by the stochastic librational motion of the center of mass and fluxional bonding at the nanoparticle surface due to thermal coupling with the substrate. Our approach for calculating and understanding DSD is based on a combination of real-time density functional theory/molecular dynamics simulations, transient coupled-oscillator models, and statistical mechanics. This approach treats thermal and dynamic effects over multiple time-scales, and includes bond-stretching and -bending vibrations, and transient tethering to the substrate at longer ps time-scales. Potential effects on the catalytic properties of these clusters are briefly explored. Model calculations of molecule-cluster interactions and molecular dissociation reaction paths are presented in which the reactant molecules are adsorbed on the surface of dynamically sampled clusters. This model suggests that DSD can affect both the prefactors and distribution of energy barriers in reaction rates, and thus can significantly affect catalytic activity at the nano-scale.
Dynamics of Quantum Causal Structures
Castro-Ruiz, Esteban; Giacomini, Flaminia; Brukner, Časlav
It was recently suggested that causal structures are both dynamical, because of general relativity, and indefinite, because of quantum theory. The process matrix formalism furnishes a framework for quantum mechanics on indefinite causal structures, where the order between operations of local laboratories is not definite (e.g., one cannot say whether operation in laboratory A occurs before or after operation in laboratory B ). Here, we develop a framework for "dynamics of causal structures," i.e., for transformations of process matrices into process matrices. We show that, under continuous and reversible transformations, the causal order between operations is always preserved. However, the causal order between a subset of operations can be changed under continuous yet nonreversible transformations. An explicit example is that of the quantum switch, where a party in the past affects the causal order of operations of future parties, leading to a transition from a channel from A to B , via superposition of causal orders, to a channel from B to A . We generalize our framework to construct a hierarchy of quantum maps based on transformations of process matrices and transformations thereof.
Dynamics of Quantum Causal Structures
Directory of Open Access Journals (Sweden)
Esteban Castro-Ruiz
Full Text Available It was recently suggested that causal structures are both dynamical, because of general relativity, and indefinite, because of quantum theory. The process matrix formalism furnishes a framework for quantum mechanics on indefinite causal structures, where the order between operations of local laboratories is not definite (e.g., one cannot say whether operation in laboratory A occurs before or after operation in laboratory B. Here, we develop a framework for "dynamics of causal structures," i.e., for transformations of process matrices into process matrices. We show that, under continuous and reversible transformations, the causal order between operations is always preserved. However, the causal order between a subset of operations can be changed under continuous yet nonreversible transformations. An explicit example is that of the quantum switch, where a party in the past affects the causal order of operations of future parties, leading to a transition from a channel from A to B, via superposition of causal orders, to a channel from B to A. We generalize our framework to construct a hierarchy of quantum maps based on transformations of process matrices and transformations thereof.
Multiscale structure in eco-evolutionary dynamics
Stacey, Blake C.
In a complex system, the individual components are neither so tightly coupled or correlated that they can all be treated as a single unit, nor so uncorrelated that they can be approximated as independent entities. Instead, patterns of interdependency lead to structure at multiple scales of organization. Evolution excels at producing such complex structures. In turn, the existence of these complex interrelationships within a biological system affects the evolutionary dynamics of that system. I present a mathematical formalism for multiscale structure, grounded in information theory, which makes these intuitions quantitative, and I show how dynamics defined in terms of population genetics or evolutionary game theory can lead to multiscale organization. For complex systems, "more is different," and I address this from several perspectives. Spatial host--consumer models demonstrate the importance of the structures which can arise due to dynamical pattern formation. Evolutionary game theory reveals the novel effects which can result from multiplayer games, nonlinear payoffs and ecological stochasticity. Replicator dynamics in an environment with mesoscale structure relates to generalized conditionalization rules in probability theory. The idea of natural selection "acting at multiple levels" has been mathematized in a variety of ways, not all of which are equivalent. We will face down the confusion, using the experience developed over the course of this thesis to clarify the situation.
Structure and dynamics of solutions
Ohtaki, H
Recent advances in the study of structural and dynamic properties of solutions have provided a molecular picture of solute-solvent interactions. Although the study of thermodynamic as well as electronic properties of solutions have played a role in the development of research on the rate and mechanism of chemical reactions, such macroscopic and microscopic properties are insufficient for a deeper understanding of fast chemical and biological reactions. In order to fill the gap between the two extremes, it is necessary to know how molecules are arranged in solution and how they change their pos
Is the Oxygen Atom Static or Dynamic? The Effect of Generating Animations on Students' Mental Models of Atomic Structure
Akaygun, Sevil
Visualizing the chemical structure and dynamics of particles has been challenging for many students; therefore, various visualizations and tools have been used in chemistry education. For science educators, it has been important to understand how students visualize and represent particular phenomena--i.e., their mental models-- to design more…
Effect of counterion binding efficiency on structure and dynamics of wormlike micelles.
Oelschlaeger, C; Suwita, P; Willenbacher, N
We have studied the effect of counterion binding efficiency on the linear viscoelastic properties of wormlike micelles formed from hexadecyltrimethylammonium bromide (CTAB) in the presence of different nonpenetrating inorganic salts: potassium bromide (KBr), sodium nitrate (NaNO(3)), and sodium chlorate (NaClO(3)). We have varied the salt/surfactant ratio R at fixed surfactant concentration of 350 mM. Results are compared to data for the system cetylpyridinium chloride (CPyCl) and the penetrating counterion sodium salicylate (NaSal) (Oelschlaeger, C.; Schopferer, M.; Scheffold, F.; Willenbacher, N. Langmuir 2009, 25, 716-723). Mechanical high-frequency rheology and diffusing wave spectroscopy (DWS) based tracer microrheology are used to determine the shear moduli G' and G'' in the frequency range from 0.1 Hz up to 1 MHz (Willenbacher, N.; Oelschlaeger, C.; Schopferer, M.; Fischer, P.; Cardinaux, F.; Scheffold, F. Phys. Rev. Lett. 2007, 99, 068302, 1-4). This enables us to determine the plateau modulus G(0), which is related to the cross-link density or mesh size of the entanglement network, the bending stiffness kappa (also expressed as persistence length l(p) = kappa/k(B)T) corresponding to the semiflexible nature of the micelles, and the scission energy E(sciss), which is related to their contour length. The viscosity maximum shifts to higher R values, and the variation of viscosity with R is less pronounced as the binding strength decreases. The plateau modulus increases with R at low ionic strength and is constant around the viscosity maximum; the increase in G(0) at high R, which is presumably due to branching, is weak compared to the system with penetrating counterion. The scission energy E(sciss) approximately = 20 k(B)T is independent of counterion binding efficiency irrespective of R and is slightly higher compared to the system CPyCl/NaSal, indicating that branching may be significant already at the viscosity maximum in this latter case. The micellar
Sierra Structural Dynamics Theory Manual
Energy Technology Data Exchange (ETDEWEB)
Reese, Garth M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of structural systems. This manual describes the theory behind many of the constructs in Sierra/SD. For a more detailed description of how to use Sierra/SD , we refer the reader to Sierra/SD, User's Notes . Many of the constructs in Sierra/SD are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Sierra/SD are specific to our implementation. We try to be far more complete in those areas. The theory manual was developed from several sources including general notes, a programmer notes manual, the user's notes and of course the material in the open literature. This page intentionally left blank.
Molecular dynamics study on the structural and dynamic properties of xanthan gum in a dilute solution under the effect of temperature
Ong, Ernest E. S.; O'Byrne, Sean; Liow, Jong-Leng
Xanthan gum (XG) is considered one of the most industrially important polysaccharides, with applications ranging from food products such as ice creams and salad dressings to pharmaceuticals and oil well drilling fluids. The wide application of XG is due to its favourable rheological properties and its capability to resist degradation under a high shear or high temperature environment. It is generally accepted that both inter- and intramolecular interactions, including hydrogen bonding (HB), are responsible for its unique properties. To date, there is still a lack of comprehensive examination on the HB mechanism in polysaccharides. Therefore, the study proposed here was conducted using molecular dynamics (MD) simulations that are able to provide insights with an unparalleled temporal and spatial resolution. Since XG is used over a broad range of temperatures, the implications of thermal effect on the structure and molecular interactions of XG in an aqueous solution are discussed in this paper. MD simulations were run at an isobaric-isothermal condition with 1 atm target pressure and five temperatures ranging between 283K and 353K. From the simulation results, an increasingly extended conformation of XG is observed as the temperature rises, and this finding matches qualitatively with the results published in the literature. The radius of gyration, radial pair distribution functions and intramolecular HB of XG were also discussed. The outcomes of the present study may serve as a stepping stone for the future studies on polysaccharides using MD simulations.
The dynamical conductance of graphene tunnelling structures
International Nuclear Information System (INIS)
Zhang Huan; Chan, K S; Lin Zijing
The dynamical conductances of graphene tunnelling structures were numerically calculated using the scattering matrix method with the interaction effect included in a phenomenological approach. The overall single-barrier dynamical conductance is capacitative. Transmission resonances in the single-barrier structure lead to dips in the capacitative imaginary part of the response. This is different from the ac responses of typical semiconductor nanostructures, where transmission resonances usually lead to inductive peaks. The features of the dips depend on the Fermi energy. When the Fermi energy is below half of the barrier height, the dips are sharper. When the Fermi energy is higher than half of the barrier height, the dips are broader. Inductive behaviours can be observed in a double-barrier structure due to the resonances formed by reflection between the two barriers.
The dynamical conductance of graphene tunnelling structures.
Zhang, Huan; Chan, K S; Lin, Zijing
The dynamical conductances of graphene tunnelling structures were numerically calculated using the scattering matrix method with the interaction effect included in a phenomenological approach. The overall single-barrier dynamical conductance is capacitative. Transmission resonances in the single-barrier structure lead to dips in the capacitative imaginary part of the response. This is different from the ac responses of typical semiconductor nanostructures, where transmission resonances usually lead to inductive peaks. The features of the dips depend on the Fermi energy. When the Fermi energy is below half of the barrier height, the dips are sharper. When the Fermi energy is higher than half of the barrier height, the dips are broader. Inductive behaviours can be observed in a double-barrier structure due to the resonances formed by reflection between the two barriers.
Evaluation of the dynamic responses of high rise buildings with respect to the direct methods for soil-foundation-structure interaction effects and comparison with the approximate methods
Directory of Open Access Journals (Sweden)
Jahangir Khazaei
Full Text Available In dynamic analysis, modeling of soil medium is ignored because of the infinity and complexity of the soil behavior and so the important effects of these terms are neglected, while the behavior of the soil under the structure plays an important role in the response of the structure during an earthquake. In fact, the soil layers and soil foundation structure interaction phenomena can increase the applied seismic forces during earthquakes that has been examined with different methods. In this paper, effects of soil foundation structure interaction on a steel high rise building has been modeled using Abaqus software for nonlinear dynamic analysis with finite element direct method and simulation of infinite boundary condition for soil medium and also approximate Cone model. In the direct method, soil, structure and foundation are modeled altogether. In other hand, for using Cone model as a simple model, dynamic stiffness coefficients have been employed to simulate soil with considering springs and dashpots in all degree of freedom. The results show that considering soil foundation structure interaction cause increase in maximum lateral displacement of structure and the friction coefficient of soil-foundation interface can alter the responses of structure. It was also observed that the results of the approximate methods have good agreement for engineering demands.
Dynamic analysis of embedded structures
International Nuclear Information System (INIS)
Kausel, E.; Whitman, R.V.; Morray, J.P.
The paper presents simplified rules to account for embeddment and soil layering in the soil-structure interaction problem, to be used in dynamic analysis. The relationship between the spring method, and a direct solution (in which both soil and structure are modeled with finite elements and linear members) is first presented. It is shown that for consistency of the results with the two solution methods the spring method should be performed in the following three steps: 1. Determination of the motion of the massless foundation (having the same shape as the actual one) when subjected to the same input motion as the direct solution. 2. Determination of the frequency dependent subgrade stiffness for the relevant degrees of freedom. 3. Computations of the response of the real structure supported on frequency dependent soil springs and subjected at the base of these springs to the motion computed in step 1. The first two steps require, in general, finite element methods, which would make the procedure not attractive. It is shown in the paper, however, that excellent approximations can be obtained, on the basis of 1-dimensional wave propagation theory for the solution of step 1, and correction factors modifying for embeddment the corresponding springs of a surface footing on a layered stratum, for the solution of step 2. (Auth.)
Dynamics and structure of stretched flames
Energy Technology Data Exchange (ETDEWEB)
Law, C.K. [Princeton Univ., NJ (United States)
This program aims to gain fundamental understanding on the structure, geometry, and dynamics of laminar premixed flames, and relate these understanding to the practical issues of flame extinction and stabilization. The underlying fundamental interest here is the recent recognition that the response of premixed flames can be profoundly affected by flame stretch, as manifested by flow nonuniformity, flame curvature, and flame/flow unsteadiness. As such, many of the existing understanding on the behavior of premixed flames need to be qualitatively revised. The research program consists of three major thrusts: (1) detailed experimental and computational mapping of the structure of aerodynamically-strained planar flames, with emphasis on the effects of heat loss, nonequidiffusion, and finite residence time on the flame thickness, extent of incomplete reaction, and the state of extinction. (2) Analytical study of the geometry and dynamics of stretch-affected wrinkled flame sheets in simple configurations, as exemplified by the Bunsen flame and the spatially-periodic flame, with emphasis on the effects of nonlinear stretch, the phenomena of flame cusping, smoothing, and tip opening, and their implications on the structure and burning rate of turbulent flames. (3) Stabilization and blowoff of two-dimensional inverted premixed and stabilization and determining the criteria governing flame blowoff. The research is synergistically conducted through the use of laser-based diagnostics, computational simulation of the flame structure with detailed chemistry and transport, and mathematical analysis of the flame dynamics.
Component mode synthesis in structural dynamics
International Nuclear Information System (INIS)
Reddy, G.R.; Vaze, K.K.; Kushwaha, H.S.
In seismic analysis of Nuclear Reactor Structures and equipments eigen solution requires large computer time. Component mode synthesis is an efficient technique with which one can evaluate dynamic characteristics of a large structure with minimum computer time. Due to this reason it is possible to do a coupled analysis of structure and equipment which takes into account the interaction effects. Basically in this the method large size structure is divided into small substructures and dynamic characteristics of individual substructure are determined. The dynamic characteristics of entire structure are evaluated by synthesising the individual substructure characteristics. Component mode synthesis has been applied in this paper to the analysis of a tall heavy water upgrading tower. Use of fixed interface normal modes, constrained modes, attachment modes in the component mode synthesis using energy principle and using Ritz vectors have been discussed. The validity of this method is established by solving fixed-fixed beam and comparing the results obtained by conventional and classical method. The eigen value problem has been solved using simultaneous iteration method. (author)
Dispersion and Solvation Effects on the Structure and Dynamics of N719 Adsorbed to Anatase Titania (101) Surfaces in Room-Temperature Ionic Liquids: An ab Initio Molecular Simulation Study
Byrne, Aaron; English, Niall J.; Schwingenschlö gl, Udo; Coker, David F.
Ab initio, density functional theory (DFT)-based molecular dynamics (MD) has been carried out to investigate the effect of explicit solvation on the dynamical and structural properties of a [bmim][NTf2] room-temperature ionic liquid (RTIL
Relating structure and dynamics in organisation models
Jonker, C.M.; Treur, J.
To understand how an organisational structure relates to dynamics is an interesting fundamental challenge in the area of social modelling. Specifications of organisational structure usually have a diagrammatic form that abstracts from more detailed dynamics. Dynamic properties of agent systems, on
A mathematical analysis of the effects of Hebbian learning rules on the dynamics and structure of discrete-time random recurrent neural networks.
Siri, Benoît; Berry, Hugues; Cessac, Bruno; Delord, Bruno; Quoy, Mathias
We present a mathematical analysis of the effects of Hebbian learning in random recurrent neural networks, with a generic Hebbian learning rule, including passive forgetting and different timescales, for neuronal activity and learning dynamics. Previous numerical work has reported that Hebbian learning drives the system from chaos to a steady state through a sequence of bifurcations. Here, we interpret these results mathematically and show that these effects, involving a complex coupling between neuronal dynamics and synaptic graph structure, can be analyzed using Jacobian matrices, which introduce both a structural and a dynamical point of view on neural network evolution. Furthermore, we show that sensitivity to a learned pattern is maximal when the largest Lyapunov exponent is close to 0. We discuss how neural networks may take advantage of this regime of high functional interest.
Langevin dynamics for ramified structures
Méndez, Vicenç; Iomin, Alexander; Horsthemke, Werner; Campos, Daniel
We propose a generalized Langevin formalism to describe transport in combs and similar ramified structures. Our approach consists of a Langevin equation without drift for the motion along the backbone. The motion along the secondary branches may be described either by a Langevin equation or by other types of random processes. The mean square displacement (MSD) along the backbone characterizes the transport through the ramified structure. We derive a general analytical expression for this observable in terms of the probability distribution function of the motion along the secondary branches. We apply our result to various types of motion along the secondary branches of finite or infinite length, such as subdiffusion, superdiffusion, and Langevin dynamics with colored Gaussian noise and with non-Gaussian white noise. Monte Carlo simulations show excellent agreement with the analytical results. The MSD for the case of Gaussian noise is shown to be independent of the noise color. We conclude by generalizing our analytical expression for the MSD to the case where each secondary branch is n dimensional.
Chemical structure and dynamics. Annual report 1995
Energy Technology Data Exchange (ETDEWEB)
Colson, S.D.; McDowell, R.S.
The Chemical Structure and Dynamics program is a major component of Pacific Northwest National Laboratory`s Environmental Molecular Sciences Laboratory (EMSL), providing a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for the characterization of waste tanks and pollutant distributions, and for detection and monitoring of trace atmospheric species.
Chemical structure and dynamics: Annual report 1996
International Nuclear Information System (INIS)
Colson, S.D.; McDowell, R.S.
The Chemical Structure and Dynamics (CS ampersand D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing waste tanks and pollutant distributions, and for detecting and monitoring trace atmospheric species
Annual Report 2000. Chemical Structure and Dynamics
Energy Technology Data Exchange (ETDEWEB)
Colson, Steven D.; McDowell, Robin S.
This annual report describes the research and accomplishments of the Chemical Structure and Dynamics Program in the year 2000, one of six research programs at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) - a multidisciplinary, national scientific user facility and research organization. The Chemical Structure and Dynamics (CS&D) program is meeting the need for a fundamental, molecular-level understanding by 1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; 2) developing a multidisciplinary capability for describing interfacial chemical processes relevant to environmental chemistry; and 3) developing state-of-the-art research and analytical methods for characterizing complex materials of the types found in natural and contaminated systems.
Chemical structure and dynamics: Annual report 1996
Energy Technology Data Exchange (ETDEWEB)
Colson, S.D.; McDowell, R.S.
The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing waste tanks and pollutant distributions, and for detecting and monitoring trace atmospheric species.
Structured population dynamics: continuous size and discontinuous stage structures.
Buffoni, Giuseppe; Pasquali, Sara
A nonlinear stochastic model for the dynamics of a population with either a continuous size structure or a discontinuous stage structure is formulated in the Eulerian formalism. It takes into account dispersion effects due to stochastic variability of the development process of the individuals. The discrete equations of the numerical approximation are derived, and an analysis of the existence and stability of the equilibrium states is performed. An application to a copepod population is illustrated; numerical results of Eulerian and Lagrangian models are compared.
Microscopic dynamical Casimir effect
Souza, Reinaldo de Melo e.; Impens, François; Neto, Paulo A. Maia
We consider an atom in its ground state undergoing a nonrelativistic oscillation in free space. The interaction with the electromagnetic quantum vacuum leads to two effects to leading order in perturbation theory. When the mechanical frequency is larger than the atomic transition frequency, the dominant effect is the motion-induced transition to an excited state with the emission of a photon carrying the excess energy. We compute the angular distribution of emitted photons and the excitation rate. On the other hand, when the mechanical frequency is smaller than the transition frequency, the leading-order effect is the parametric emission of photon pairs, which constitutes the microscopic counterpart of the dynamical Casimir effect. We discuss the properties of the microscopic dynamical Casimir effect and build a connection with the photon production by an oscillating macroscopic metallic mirror.
An Investigation of dynamic characteristics of structures subjected to dynamic load from the viewpoint of design
International Nuclear Information System (INIS)
Lee, Hyun Ah; Kim, Yong Il; Park, Gyung Jin; Kang, Byung Soo; Kim, Joo Sung
All the loads in the real world are dynamic loads and structural optimization under dynamic loads is very difficult. Thus the dynamic loads are often transformed to static loads by dynamic factors, which are believed equivalent to the dynamic loads. However, due to the difference of load characteristics, there can be considerable differences between the results from static and dynamic analyses. When the natural frequency of a structure is high, the dynamic analysis result is similar to that of static analysis due to the small inertia effect on the behavior of the structure. However, if the natural frequency of the structure is low, the inertia effect should not be ignored. then, the behavior of the dynamic system is different from that of the static system. The difference of the two cases can be explained from the relationship between the homogeneous and the particular solutions of the differential equation that governs the behavior of the structure. Through various examples, the difference between the dynamic analysis and the static analysis are shown. Also dynamic response optimization results are compared with the results with static loads transformed from dynamic loads by dynamic factors, which show the necessity of the design considering dynamic loads
Nuclear quantum effects on the structure and the dynamics of [H2O]8 at low temperatures
International Nuclear Information System (INIS)
Videla, Pablo E.; Rossky, Peter J.; Laria, D.
We use ring-polymer-molecular-dynamics (RPMD) techniques and the semi-empirical q-TIP4P/F water model to investigate the relationship between hydrogen bond connectivity and the characteristics of nuclear position fluctuations, including explicit incorporation of quantum effects, for the energetically low lying isomers of the prototype cluster [H 2 O] 8 at T = 50 K and at 150 K. Our results reveal that tunneling and zero-point energy effects lead to sensible increments in the magnitudes of the fluctuations of intra and intermolecular distances. The degree of proton spatial delocalization is found to map logically with the hydrogen-bond connectivity pattern of the cluster. Dangling hydrogen bonds exhibit the largest extent of spatial delocalization and participate in shorter intramolecular O-H bonds. Combined effects from quantum and polarization fluctuations on the resulting individual dipole moments are also examined. From the dynamical side, we analyze the characteristics of the infrared absorption spectrum. The incorporation of nuclear quantum fluctuations promotes red shifts and sensible broadening relative to the classical profile, bringing the simulation results in much more satisfactory agreement with direct experimental information in the mid and high frequency range of the stretching band. While RPMD predictions overestimate the peak position of the low frequency shoulder, the overall agreement with that reported using an accurate, parameterized, many-body potential is reasonable, and far superior to that one obtains by implementing a partially adiabatic centroid molecular dynamics approach. Quantum effects on the collective dynamics, as reported by instantaneous normal modes, are also discussed
The Effect of Initial Inoculum Source on the Microbial Community Structure and Dynamics in Laboratory-Scale Sequencing Batch Reactors
Hernandez, Susana
Understanding the factors that shapes the microbial community assembly in activated sludge wastewater treatment processes provide a conceptual foundation for improving process performance. The aim of this study was to compare two major theories (deterministic theory and neutral theory) regarding the assembly of microorganisms in activated sludge: Six lab-scale activated sludge sequencing batch reactors were inoculated with activated sludge collected from three different sources (domestic, industrial, and sugar industry WWTP). Additionally, two reactors were seeded with equal proportion of sludge from the three WWTPs. Duplicate reactors were used for each sludge source (i.e. domestic, industrial, sugar and mix). Reactors were operated in parallel for 11 weeks under identical conditions. Bacterial diversity and community structure in the eight SBRs were assessed by 16S rRNA gene pyrosequencing. The 16S rRNA gene sequences were analyzed using taxonomic and clustering analysis and by measuring diversity indices (Shannon-weaver and Chao1 indices). Cluster analysis revealed that the microbial community structure was dynamic and that replicate reactors evolved differently. Also the microbial community structure in the SBRs seeded with a different sludge did not converge after 11 weeks of operation under identical conditions. These results suggest that history and distribution of taxa in the source inoculum were stronger regulating factors in shaping bacterial community structure than environmental factors. This supports the neutral theory which states that the assembly of the local microbial community from the metacommunity is random and is regulated by the size and diversity of the metacommunity. Furthermore, sludge performance, measured by COD and ammonia removal, confirmed that broad-scale functions (e.g. COD removal) are not influenced by dynamics in the microbial composition, while specific functions (e.g. nitrification) are more susceptible to these changes.
Structural and dynamical properties of Yukawa balls
International Nuclear Information System (INIS)
Block, D; Kroll, M; Arp, O; Piel, A; Kaeding, S; Ivanov, Y; Melzer, A; Henning, C; Baumgartner, H; Ludwig, P; Bonitz, M
To study the structural and dynamical properties of finite 3D dust clouds (Yukawa balls) new diagnostic tools have been developed. This contribution describes the progress towards 3D diagnostics for measuring the particle positions. It is shown that these diagnostics are capable of investigating the structural and dynamical properties of Yukawa balls and gaining insight into their basic construction principles
Dynamic Failure of Composite and Sandwich Structures
Abrate, Serge; Rajapakse, Yapa D S
This book presents a broad view of the current state of the art regarding the dynamic response of composite and sandwich structures subjected to impacts and explosions. Each chapter combines a thorough assessment of the literature with original contributions made by the authors. The first section deals with fluid-structure interactions in marine structures. The first chapter focuses on hull slamming and particularly cases in which the deformation of the structure affects the motion of the fluid during the water entry of flexible hulls. Chapter 2 presents an extensive series of tests underwater and in the air to determine the effects of explosions on composite and sandwich structures. Full-scale structures were subjected to significant explosive charges, and such results are extremely rare in the open literature. Chapter 3 describes a simple geometrical theory of diffraction for describing the interaction of an underwater blast wave with submerged structures. The second section addresses the problem of...
Measurement of the structure functions F2 and xF3 and comparison with QCD predictions including kinematical and dynamical higher twist effects
International Nuclear Information System (INIS)
Varvell, K.; Wells, J.; Sansum, R.A.; Bullock, F.W.; Fitch, P.J.; Armenise, N.; Calicchio, M.; Erriquez, O.; Natali, S.; Nuzzo, S.; Ruggieri, F.; Baton, J.P.; Gerbier, G.; Kasper, P.; Kochowski, C.; Neveu, M.; Brisson, V.; Petiau, P.; Vallee, C.; Clayton, E.F.; Iaselli, G.; Mobayyen, M.M.; Petrides, A.; Jones, G.T.; Middleton, R.P.; O'Neale, S.W.; Mermikides, M.; Simopoulou, E.; Vayaki, A.
The isoscalar nucleon structure functions F 2 (x,Q 2 ) and xF 3 (x,Q 2 ) are measured in the range 0 2 2 , 1.7 2 2 , x 2 values, it is found that a low Λsub(anti Manti S) value in the neighbourhood of 100 MeV describes the data adequately and that the contribution of dynamical higher twist effects is small and negative. (orig.)
Effect of annealing on structural changes and oxygen diffusion in amorphous HfO2 using classical molecular dynamics
Shen, Wenqing; Kumari, Niru; Gibson, Gary; Jeon, Yoocharn; Henze, Dick; Silverthorn, Sarah; Bash, Cullen; Kumar, Satish
Non-volatile memory is a promising alternative to present memory technologies. Oxygen vacancy diffusion has been widely accepted as one of the reasons for the resistive switching mechanism of transition-metal-oxide based resistive random access memory. In this study, molecular dynamics simulation is applied to investigate the diffusion coefficient and activation energy of oxygen in amorphous hafnia. Two sets of empirical potential, Charge-Optimized Many-Body (COMB) and Morse-BKS (MBKS), were considered to investigate the structural and diffusion properties at different temperatures. COMB predicts the activation energy of 0.53 eV for the temperature range of 1000-2000 K, while MBKS predicts 2.2 eV at high temperature (1600-2000 K) and 0.36 eV at low temperature (1000-1600 K). Structural changes and appearance of nano-crystalline phases with increasing temperature might affect the activation energy of oxygen diffusion predicted by MBKS, which is evident from the change in coordination number distribution and radial distribution function. None of the potentials make predictions that are fully consistent with density functional theory simulations of both the structure and diffusion properties of HfO2. This suggests the necessity of developing a better multi-body potential that considers charge exchange.
Structural biology by NMR: structure, dynamics, and interactions.
Directory of Open Access Journals (Sweden)
Phineus R L Markwick
Full Text Available The function of bio-macromolecules is determined by both their 3D structure and conformational dynamics. These molecules are inherently flexible systems displaying a broad range of dynamics on time-scales from picoseconds to seconds. Nuclear Magnetic Resonance (NMR spectroscopy has emerged as the method of choice for studying both protein structure and dynamics in solution. Typically, NMR experiments are sensitive both to structural features and to dynamics, and hence the measured data contain information on both. Despite major progress in both experimental approaches and computational methods, obtaining a consistent view of structure and dynamics from experimental NMR data remains a challenge. Molecular dynamics simulations have emerged as an indispensable tool in the analysis of NMR data.
Effects of spin orbital coupling on atomic and electronic structures in Al2Cu and Al2Au crystal and liquid phases via ab initio molecular dynamics simulations
International Nuclear Information System (INIS)
Wang, Y.; Lu, Y.H.; Wang, X.D.; Cao, Q.P.; Zhang, D.X.; Jiang, J.Z.
Highlights: • The SOC effect affects the cohesion energy of crystal phase. • The effect of SOC was reduced due to random local atomic structures in liquids. • The local geometrical structures also affect the melting points. • Both SOC effect and local atomic structures are important for melting point difference. - Abstract: The origin of different melting points between Al 2 Cu and Al 2 Au has been studied using ab initio molecular dynamics simulations. Cohesive energy, electronic structures and structure information of both crystal and liquid phases have been analyzed. It is found that spin orbital coupling (SOC) plays an important role on the cohesive energy of crystal phase, consistent with the different melting points of these two alloys. Whereas, it seems that SOC has no effect on the formation energy and structure of liquid phase. Possible mechanism of reduced SOC effect at liquid phase is proposed. Our results are helpful to understand the glass formation ability difference between Al 2 Cu and Al 2 Au
Structural stability of nonlinear population dynamics.
Cenci, Simone; Saavedra, Serguei
In population dynamics, the concept of structural stability has been used to quantify the tolerance of a system to environmental perturbations. Yet, measuring the structural stability of nonlinear dynamical systems remains a challenging task. Focusing on the classic Lotka-Volterra dynamics, because of the linearity of the functional response, it has been possible to measure the conditions compatible with a structurally stable system. However, the functional response of biological communities is not always well approximated by deterministic linear functions. Thus, it is unclear the extent to which this linear approach can be generalized to other population dynamics models. Here, we show that the same approach used to investigate the classic Lotka-Volterra dynamics, which is called the structural approach, can be applied to a much larger class of nonlinear models. This class covers a large number of nonlinear functional responses that have been intensively investigated both theoretically and experimentally. We also investigate the applicability of the structural approach to stochastic dynamical systems and we provide a measure of structural stability for finite populations. Overall, we show that the structural approach can provide reliable and tractable information about the qualitative behavior of many nonlinear dynamical systems.
Structural stability of nonlinear population dynamics
Cenci, Simone; Saavedra, Serguei
In population dynamics, the concept of structural stability has been used to quantify the tolerance of a system to environmental perturbations. Yet, measuring the structural stability of nonlinear dynamical systems remains a challenging task. Focusing on the classic Lotka-Volterra dynamics, because of the linearity of the functional response, it has been possible to measure the conditions compatible with a structurally stable system. However, the functional response of biological communities is not always well approximated by deterministic linear functions. Thus, it is unclear the extent to which this linear approach can be generalized to other population dynamics models. Here, we show that the same approach used to investigate the classic Lotka-Volterra dynamics, which is called the structural approach, can be applied to a much larger class of nonlinear models. This class covers a large number of nonlinear functional responses that have been intensively investigated both theoretically and experimentally. We also investigate the applicability of the structural approach to stochastic dynamical systems and we provide a measure of structural stability for finite populations. Overall, we show that the structural approach can provide reliable and tractable information about the qualitative behavior of many nonlinear dynamical systems.
Chemical Structure and Dynamics annual report 1997
International Nuclear Information System (INIS)
Colson, S.D.; McDowell, R.S.
The Chemical Structure and Dynamics (CS and D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. The authors respond to the need for a fundamental, molecular level understanding of chemistry at a wide variety of environmentally important interfaces by: (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing complex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. The focus of the research is defined primarily by DOE's environmental problems: fate and transport of contaminants in the subsurface environment, processing and storage of waste materials, cellular effects of chemical and radiological insult, and atmospheric chemistry as it relates to air quality and global change. Twenty-seven projects are described under the following topical sections: Reaction mechanisms at interfaces; High-energy processes at environmental interfaces; Cluster models of the condensed phase; and Miscellaneous
Chemical Structure and Dynamics annual report 1997
Energy Technology Data Exchange (ETDEWEB)
Colson, S.D.; McDowell, R.S.
The Chemical Structure and Dynamics (CS and D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. The authors respond to the need for a fundamental, molecular level understanding of chemistry at a wide variety of environmentally important interfaces by: (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing complex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. The focus of the research is defined primarily by DOE`s environmental problems: fate and transport of contaminants in the subsurface environment, processing and storage of waste materials, cellular effects of chemical and radiological insult, and atmospheric chemistry as it relates to air quality and global change. Twenty-seven projects are described under the following topical sections: Reaction mechanisms at interfaces; High-energy processes at environmental interfaces; Cluster models of the condensed phase; and Miscellaneous.
POSTER : Identifying dynamic data structures in Malware
Rupprecht, Thomas; Chen, Xi; White, David H.; Mühlberg, Jan Tobias; Bos, Herbert; Lüttgen, Gerald
As the complexity of malware grows, so does the necessity of employing program structuring mechanisms during development. While control ow structuring is often obfuscated, the dynamic data structures employed by the program are typically untouched. We report on work in progress that exploits this
Dynamical Franz-Keldysh Effect
DEFF Research Database (Denmark)
Jauho, Antti-Pekka; Johnsen, Kristinn
We introduce and analyze the properties of dynamical Franz-Keldysh effect, i.e., the change of density of states, or absorption spectra, of semiconductors under the influence of time-dependent electric fields. In the case of a harmonic time dependence, we predict the occurrence of significant fin...... structure, both below and above the zero-field band gap, which should be experimentally observable.......We introduce and analyze the properties of dynamical Franz-Keldysh effect, i.e., the change of density of states, or absorption spectra, of semiconductors under the influence of time-dependent electric fields. In the case of a harmonic time dependence, we predict the occurrence of significant fine...
The individual and interactive effects of tree-tree establishment competition and fire on savanna structure and dynamics
Calabrese, Justin; Vázquez, Federico; López, Cristóbal; San Miguel, Maxi; Grimm, Volker
The mechanisms regulating savanna tree populations are still not well understood. Recent empirical work suggests that both tree-tree competition and fire are key factors in semi-arid to mesic savannas. However, the potential for competition to structure savannas, particularly in interaction with fire, has received little theoretical attention. We develop a minimalistic and analytically tractable stochastic cellular automaton to study the individual and combined effects of competition and fire...
Dynamic analysis program for frame structure
International Nuclear Information System (INIS)
Ando, Kozo; Chiba, Toshio
A general purpose computer program named ISTRAN/FD (Isub(HI) STRucture ANalysis/Frame structure, Dynamic analysis) has been developed for dynamic analysis of three-dimensional frame structures. This program has functions of free vibration analysis, seismic response analysis, graphic display by plotter and CRT, etc. This paper introduces ISTRAN/FD; examples of its application are shown with various problems : idealization of the cantilever, dynamic analysis of the main tower of the suspension bridge, three-dimensional vibration in the plate girder bridge, seismic response in the boiler steel structure, and dynamic properties of the underground LNG tank. In this last example, solid elements, in addition to beam elements, are especially used for the analysis. (auth.)
The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations
Wang, N; Komvopoulos, K
The growth and structure of ultrathin amorphous carbon films was investigated by molecular dynamics simulations. The second-generation reactive-empirical-bond-order potential was used to model atomic interactions. Films with different structures
Dynamics and acceleration in linear structures
International Nuclear Information System (INIS)
Le Duff, J.
Basic methods of linear acceleration are reviewed. Both cases of non relativistic and ultra relativistic particles are considered. Induction linac, radiofrequency quadrupole are mentioned. Fundamental parameters of accelerating structures are recalled; they are transit time factor, shunt impedance, quality factor and stored energy, phase velocity and group velocity, filling time, space harmonics in loaded waveguides. Energy gain in linear accelerating structures is considered through standing wave structures and travelling wave structures. Then particle dynamics in linear accelerators is studied: longitudinal motion, transverse motion and dynamics in RFQ
Recent Progress in Heliogyro Solar Sail Structural Dynamics
Wilkie, William K.; Warren, Jerry E.; Horta, Lucas G.; Juang, Jer-Nan; Gibbs, Samuel C.; Dowell, E.; Guerrant, Daniel; Lawrence Dale
Results from recent National Aeronautics and Space Administration (NASA) research on the structural dynamics and control characteristics of heliogyro solar sails are summarized. Specific areas under investigation include coupled nonlinear finite element analysis of heliogyro membrane blade with solar radiation pressure effects, system identification of spinning membrane structures, solarelastic stability analysis of heliogyro solar sails, including stability during blade deployment, and results from small-scale in vacuo dynamics experiments with spinning high-aspect ratio membranes. A low-cost, rideshare payload heliogyro technology demonstration mission concept, used as a mission context for these heliogyro structural dynamics and solarelasticity investigations, is also described.
31st IMAC Conference on Structural Dynamics
Adams, Douglas; Carrella, Alex; Mayes, Randy; Rixen, Daniel; Allen, Matt; Cunha, Alvaro; Catbas, Fikret; Pakzad, Shamim; Racic, Vitomir; Pavic, Aleksandar; Reynolds, Paul; Simmermacher, Todd; Cogan, Scott; Moaveni, Babak; Papadimitriou, Costas; Allemang, Randall; Clerck, James; Niezrecki, Christopher; Wicks, Alfred
Topics in Nonlinear Dynamics, Volume 1: Proceedings of the 31st IMAC, A Conference and Exposition on Structural Dynamics, 2013, the first volume of seven from the Conference, brings together contributions to this important area of research and engineering. The collection presents early findings and case studies on fundamental and applied aspects of Structural Dynamics, including papers on: Nonlinear Oscillations Nonlinearities In Practice Nonlinear System Identification: Methods Nonlinear System Identification: Friction & Contact Nonlinear Modal Analysis Nonlinear Modeling & Simulation Nonlinear Vibration Absorbers Constructive Utilization of Nonlinearity.
Network structure shapes spontaneous functional connectivity dynamics.
Shen, Kelly; Hutchison, R Matthew; Bezgin, Gleb; Everling, Stefan; McIntosh, Anthony R
The structural organization of the brain constrains the range of interactions between different regions and shapes ongoing information processing. Therefore, it is expected that large-scale dynamic functional connectivity (FC) patterns, a surrogate measure of coordination between brain regions, will be closely tied to the fiber pathways that form the underlying structural network. Here, we empirically examined the influence of network structure on FC dynamics by comparing resting-state FC (rsFC) obtained using BOLD-fMRI in macaques (Macaca fascicularis) to structural connectivity derived from macaque axonal tract tracing studies. Consistent with predictions from simulation studies, the correspondence between rsFC and structural connectivity increased as the sample duration increased. Regions with reciprocal structural connections showed the most stable rsFC across time. The data suggest that the transient nature of FC is in part dependent on direct underlying structural connections, but also that dynamic coordination can occur via polysynaptic pathways. Temporal stability was found to be dependent on structural topology, with functional connections within the rich-club core exhibiting the greatest stability over time. We discuss these findings in light of highly variable functional hubs. The results further elucidate how large-scale dynamic functional coordination exists within a fixed structural architecture. Copyright © 2015 the authors 0270-6474/15/355579-10$15.00/0.
Interplay of stereoelectronic and enviromental effects in tuning the structural and magnetic properties of a prototypical spin probe: further insights from a first principle dynamical approach.
Pavone, Michele; Cimino, Paola; De Angelis, Filippo; Barone, Vincenzo
The nitrogen isotropic hyperfine coupling constant (hcc) and the g tensor of a prototypical spin probe (di-tert-butyl nitroxide, DTBN) in aqueous solution have been investigated by means of an integrated computational approach including Car-Parrinello molecular dynamics and quantum mechanical calculations involving a discrete-continuum embedding. The quantitative agreement between computed and experimental parameters fully validates our integrated approach. Decoupling of the structural, dynamical, and environmental contributions acting onto the spectral observables allows an unbiased judgment of the role played by different effects in determining the overall experimental observables and highlights the importance of finite-temperature vibrational averaging. Together with their intrinsic interest, our results pave the route toward more reliable interpretations of EPR parameters of complex systems of biological and technological relevance.
8OCB and 8CB Liquid Crystals Confined in Nanoporous Alumina: Effect of Confinement on the Structure and Dynamics.
Selevou, Aristoula; Papamokos, George; Steinhart, Martin; Floudas, George
The effect of oxygen substitution is studied in two homologous compounds of n-cyanobiphenyls with n = 8 in the bulk and under confinement within self-ordered nanoporous alumina (AAO). Oxygen substitution in 8OCB increases the dipole moment and stabilizes the crystalline, smectic, and nematic phases to higher temperatures relative to 8CB. Within their smectic- A (SmA) phase both 8CB and 8OCB behave as weak viscoelastic solids with low shear moduli reflecting the underlying supramolecular defect structure. Dielectric spectroscopy assisted by DFT calculations identified strong dipolar associations within the isotropic phases characterized by a Kirkwood-Fröhlich interaction parameter, g ∼ 0.36. Dielectric spectroscopy further identified a slow process (∼ kHz) of low dielectric strength. The proximity of this process to the rheology time scale suggests as common origin a cooperative relaxation of the defect structure. Confinement alters the phase diagram by stabilizing certain crystalline phases and by reducing the N-I transition temperature in agreement with surface tension effects. However, the N-I transition seems to retain its first order character. Surface treatment with n-decyltrichlorosilane results in destabilization of the SmA phase at the expense of the N phase. This is consistent with a picture of surface anchored LC molecules at the pore walls that stabilize the nematic phase.
Design optimization applied in structural dynamics
Akcay-Perdahcioglu, Didem; de Boer, Andries; van der Hoogt, Peter; Tiskarna, T
This paper introduces the design optimization strategies, especially for structures which have dynamic constraints. Design optimization involves first the modeling and then the optimization of the problem. Utilizing the Finite Element (FE) model of a structure directly in an optimization process
Dynamical structure of space and time
International Nuclear Information System (INIS)
Sannikov-Proskuryakov, S.S.
A mathematically correct solution of the problem of ultraviolet divergences requires a radical change of our ideas on space and matter. We show that the space is a discontinuum in small which is the carrier of a new dynamical structure. Taking into account this structure, a new theory of elementary particles can be suggested
The Structure and Dynamics of GRB Jets
Energy Technology Data Exchange (ETDEWEB)
Granot, Jonathan; /KIPAC, Menlo Park
There are several lines of evidence which suggest that the relativistic outflows in gamma-ray bursts (GRBs) are collimated into narrow jets. The jet structure has important implications for the true energy release and the event rate of GRBs, and can constrain the mechanism responsible for the acceleration and collimation of the jet. Nevertheless, the jet structure and its dynamics as it sweeps up the external medium and decelerates, are not well understood. In this review I discuss our current understanding of GRB jets, stressing their structure and dynamics.
Full scale dynamic testing of Kozloduy NPP unit 5 structures
International Nuclear Information System (INIS)
Da Rin, E.M.
As described in this report, the Kozloduy NPP western site has been subjected to low level earthquake-like ground shaking - through appropriately devised underground explosions - and the resulting dynamic response of the NPP reactor Unit 5 important structures appropriately measured and digitally recorded. In-situ free-field response was measured concurrently more than 100 m aside the main structures of interest. The collected experimental data provide reference information on the actual dynamic characteristics of the Kozloduy NPPs main structures, as well as give some useful indications on the dynamic soil-structure interaction effects for the case of low level excitation. Performing the present full-scale dynamic structural testing activities took advantage of the experience gained by ISMES during similar tests, lately performed in Italy and abroad (in particular, at the Paks NPP in 1994). The IAEA promoted dynamic testing of the Kozloduy NPP Unit 5 by means of pertinently designed buried explosion-induced ground motions which has provided a large amount of data on the dynamic structural response of its major structures. In the present report, the conducted investigation is described and the acquired digital data presented. A series of preliminary analyses were undertaken for examining in detail the ground excitation levels that were produced by these weak earthquake simulation experiments, as well as for inferring some structural characteristics and behaviour information from the collected data. These analyses ascertained the high quality of the collected digital data. Presumably due to soil-structure dynamic interaction effects, reduced excitation levels were observed at the reactor building foundation raft level with respect to the concurrent free-field ground motions. measured at a 140 m distance from the reactor building centre. Further more detailed and systematic analyses are worthwhile to be performed for extracting more complete information about the
Trapping dynamics of isobutane, n-butane, and neopentane on Pt(111): Effects of molecular weight and structure
International Nuclear Information System (INIS)
Weaver, J.F.; Madix, R.J.
The molecular adsorption dynamics of isobutane, n-butane, and neopentane on Pt(111) was investigated using supersonic molecular beam techniques and stochastic trajectory calculations. Using the united atom approach, a single, pairwise-additive Morse Potential for methyl (methylene)- plantinum interactions quantitatively simulates the dependence of the initial trapping probability, α, on the initial translational energy, E T , and angle of incidence, θ i , for each alkane. For both isobutane and n-butane, the dependence of α on E T and θ i best scales with E T cos 0.8 θ i , which is similar to that found previously for ethane and propane trapping on Pt(111). The initial trapping probability of neopentane exhibits a more pronounced dependence on θ i , which scales according to E T cos 1.3 θ i . The simulations suggest that the enhanced angular dependence of α for neopentane is related to its molecular weight. As the mass of the incident species is increased, momentum transfer to the surface becomes more efficient than the interconversion of incident parallel and normal momentum due to corrugation of the surface potential. The net effect is an increase in the trapping probability at glancing incidence compared to lighter molecules, and a resulting shift in the angular dependence of α towards normal energy scaling. The calculations also predict that collisional energy transfer to rotation is important in promoting adsorption. For each molecule, rotational excitation is determined to be the most effective energy transfer process that discriminates trapping from scattering. In addition, translational energy transfer to torsional vibration about the central C - C bond is highly efficient for n-butane, and greatly facilitates adsorption. Less excitation is predicted for C - C - C bending modes for all of these molecules. copyright 1999 American Institute of Physics
Dynamic Response of a Floating Bridge Structure
Viuff, Thomas; Leira, Bernt Johan; Øiseth, Ole; Xiang, Xu
A theoretical overview of the stochastic dynamic analysis of a floating bridge structure is presented. Emphasis is on the wave-induced response and the waves on the sea surface are idealized as a zero mean stationary Gaussian process. The first-order wave load processes are derived using linear potential theory and the structural idealization is based on the Finite Element Method. A frequency response calculation is presented for a simplified floating bridge structure example emphasising the ...
Limitations and corrections in measuring dynamic characteristics of structural systems
International Nuclear Information System (INIS)
Walter, P.L.
The work deals with limitations encountered in measuring the dynamic characteristics of structural systems. Structural loading and response are measured by transducers possessing multiple resonant frequencies in their transfer function. In transient environments, the resultant signals from these transducers are shown to be analytically unpredictable in amplitude level and frequency content. Data recorded during nuclear effects simulation testing on structures are analyzed. Results of analysis can be generalized to any structure which encounters dynamic loading. Methods to improve the recorded data are described which can be implemented on a frequency selective basis during the measurement process. These improvements minimize data distortion attributable to the transfer characteristics of the measuring transducers
Numerical simulation of effective mechanical properties of stochastic composites with consideration for structural evolution under intensive dynamic loading
Energy Technology Data Exchange (ETDEWEB)
Karakulov, Valerii V., E-mail: email@example.com [National Research Tomsk State University, Tomsk, 634050 (Russian Federation); Smolin, Igor Yu., E-mail: email@example.com, E-mail: firstname.lastname@example.com; Skripnyak, Vladimir A., E-mail: email@example.com, E-mail: firstname.lastname@example.com [National Research Tomsk State University, Tomsk, 634050, Russia and Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation)
Mechanical behavior of stochastic metal-ceramic composites with the aluminum matrix under high-rate deformation at shock-wave loading is numerically simulated with consideration for structural evolution. Effective values of mechanical parameters of metal-ceramic composites Al
Structural and dynamical effects induced by the anticancer drug topotecan on the human topoisomerase I - DNA complex.
Directory of Open Access Journals (Sweden)
Giordano Mancini
Full Text Available BACKGROUND: Human topoisomerase I catalyzes the relaxation of DNA supercoils in fundamental cell processes like transcription, replication and chromosomal segregation. It is the only target of the camptothecin family of anticancer drugs. Among these, topotecan has been used to treat lung and ovarian carcinoma for several years. Camptothecins reversibly binds to the covalent intermediate DNA-enzyme, stabilizing the cleavable complex and reducing the religation rate. The stalled complex then collides with the progression of the replication fork, producing lethal double strand DNA breaks and eventually cell death. METHODOLOGY/PRINCIPAL FINDINGS: Long lasting molecular dynamics simulations of the DNA-topoisomerase I binary complex and of the DNA-topoisomerase-topotecan ternary complex have been performed and compared. The conformational space sampled by the binary complex is reduced by the presence of the drug, as observed by principal component and cluster analyses. This conformational restraint is mainly due to the reduced flexibility of residues 633-643 (the region connecting the linker to the core domain that causes an overall mobility loss in the ternary complex linker domain. During the simulation, DNA/drug stacking interactions are fully maintained, and hydrogen bonds are maintained with the enzyme. Topotecan keeps the catalytic residue Lys532 far from the DNA, making it unable to participate to the religation reaction. Arg364 is observed to interact with both the B and E rings of topotecan with two stable direct hydrogen bonds. An interesting constrain exerted by the protein on the geometrical arrangement of topotecan is also observed. CONCLUSIONS/SIGNIFICANCE: Atomistic-scale understanding of topotecan interactions with the DNA-enzyme complex is fundamental to the explaining of its poisonous effect and of the drug resistance observed in several single residue topoisomerase mutants. We observed significant alterations due to topotecan in
Proton and carbon-13 nuclear magnetic resonance studies of the effects of retinal on the dynamic structure and stability of lipid bilayer
International Nuclear Information System (INIS)
Inoue, Yoshio; Hanafusa, Yoshito; Toda, Masakazu; Chujo, Riichiro
The effects of retinal and vitamin A on the dynamic structure and stability of hen egg yolk lecithin bilayers have been studied by means of carbon-13 and proton NMR spectroscopies. 13 C spin-lattice relaxation and paramagnetic ion permeability studies on lecithin bilayers indicate a marked decrease in flexibility of the lipid acyl chain and a breakdown of membrane impermeableness to ion by the intercalated all-trans- and 11-cis-retinal, whereas the effect of incorporated vitamin A on the fluidity of bilayers is small and its impermeableness to ion remains effective even in the presence of higher concentration of vitamin A. The experimental results are discussed in connection with the mechanism of the permeability change in photoreceptive disk membrane. (author)
Visualizing Structure and Dynamics of Disaccharide Simulations
Energy Technology Data Exchange (ETDEWEB)
Matthews, J. F.; Beckham, G. T.; Himmel, M. E.; Crowley, M. F.
We examine the effect of several solvent models on the conformational properties and dynamics of disaccharides such as cellobiose and lactose. Significant variation in timescale for large scale conformational transformations are observed. Molecular dynamics simulation provides enough detail to enable insight through visualization of multidimensional data sets. We present a new way to visualize conformational space for disaccharides with Ramachandran plots.
About the dynamics of structural phase transitions
International Nuclear Information System (INIS)
Medeiros, J.T.N.
The dynamics of structural phase transitions with a fourth order interaction between the soft phonon fields is studied in the 1/n approximation, using many body methods at finite temperatures. Two limits are considered: high transition temperature T sub(c) (classical limit) and T sub(c) = 0 (quantum limit). The dynamical contribution to the critical coefficient eta of the correlation function is calculated in these limits. It is found that there is no dynamical contribution to eta in the classical limit, whereas in the quantum limit eta is non-zero only for dimensions of the system d [pt
Simultaneous determination of protein structure and dynamics
DEFF Research Database (Denmark)
Lindorff-Larsen, Kresten; Best, Robert B.; DePristo, M. A.
at the atomic level about the structural and dynamical features of proteins-with the ability of molecular dynamics simulations to explore a wide range of protein conformations. We illustrate the method for human ubiquitin in solution and find that there is considerable conformational heterogeneity throughout......We present a protocol for the experimental determination of ensembles of protein conformations that represent simultaneously the native structure and its associated dynamics. The procedure combines the strengths of nuclear magnetic resonance spectroscopy-for obtaining experimental information...... the protein structure. The interior atoms of the protein are tightly packed in each individual conformation that contributes to the ensemble but their overall behaviour can be described as having a significant degree of liquid-like character. The protocol is completely general and should lead to significant...
Unifying dynamical and structural stability of equilibria
Arnoldi, Jean-François; Haegeman, Bart
We exhibit a fundamental relationship between measures of dynamical and structural stability of linear dynamical systems-e.g. linearized models in the vicinity of equilibria. We show that dynamical stability, quantified via the response to external perturbations (i.e. perturbation of dynamical variables), coincides with the minimal internal perturbation (i.e. perturbations of interactions between variables) able to render the system unstable. First, by reformulating a result of control theory, we explain that harmonic external perturbations reflect the spectral sensitivity of the Jacobian matrix at the equilibrium, with respect to constant changes of its coefficients. However, for this equivalence to hold, imaginary changes of the Jacobian's coefficients have to be allowed. The connection with dynamical stability is thus lost for real dynamical systems. We show that this issue can be avoided, thus recovering the fundamental link between dynamical and structural stability, by considering stochastic noise as external and internal perturbations. More precisely, we demonstrate that a linear system's response to white-noise perturbations directly reflects the intensity of internal white-noise disturbance that it can accommodate before becoming stochastically unstable.
Dynamical effects in electron spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Zhou, Jianqiang Sky, E-mail: email@example.com; Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Kas, J. J.; Rehr, J. J. [Department of Physics, University of Washington, Seattle, Washington 98195-1560 (United States); Sponza, Lorenzo [Department of Physics, King's College London, London WC2R 2LS (United Kingdom); Guzzo, Matteo [Institut für Physik und IRIS Adlershof, Humboldt-Universität zu Berlin, D-12489 Berlin (Germany); Gatti, Matteo [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette (France)
One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green's function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green's function, and we discuss the cancellation of various dynamical effects that occur in that case.
Dynamical effects in electron spectroscopy
International Nuclear Information System (INIS)
Zhou, Jianqiang Sky; Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia; Kas, J. J.; Rehr, J. J.; Sponza, Lorenzo; Guzzo, Matteo; Gatti, Matteo
One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green's function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green's function, and we discuss the cancellation of various dynamical effects that occur in that case
Chemical structure and dynamics. Annual report 1994
Energy Technology Data Exchange (ETDEWEB)
Colson, S.D.
The Chemical Structure and Dynamics program was organized as a major component of Pacific Northwest Laboratory`s Environmental and Molecular Sciences Laboratory (EMSL), a state-of-the-art collaborative facility for studies of chemical structure and dynamics. Our program responds to the need for a fundamental, molecular-level understanding of chemistry at the wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces, and (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage. This research effort was initiated in 1989 and will continue to evolve over the next few years into a program of rigorous studies of fundamental molecular processes in model systems, such as well-characterized surfaces, single-component solutions, clusters, and biological molecules; and studies of complex systems found in the environment (multispecies, multiphase solutions; solid/liquid, liquid/liquid, and gas/surface interfaces; colloidal dispersions; ultrafine aerosols; and functioning biological systems). The success of this program will result in the achievement of a quantitative understanding of chemical reactions at interfaces, and more generally in condensed media, that is comparable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for predictions of macroscopic chemical behavior in condensed and heterogeneous media, adding significantly to the value of field-scale environmental models, the prediction of short- and long-term nuclear waste storage stabilities, and other problems related to the primary missions of the DOE.
International Nuclear Information System (INIS)
Uritsky, Vadim M.; Davila, Joseph M.
Multiscale topological complexity of the solar magnetic field is among the primary factors controlling energy release in the corona, including associated processes in the photospheric and chromospheric boundaries. We present a new approach for analyzing multiscale behavior of the photospheric magnetic flux underlying these dynamics as depicted by a sequence of high-resolution solar magnetograms. The approach involves two basic processing steps: (1) identification of timing and location of magnetic flux origin and demise events (as defined by DeForest et al.) by tracking spatiotemporal evolution of unipolar and bipolar photospheric regions, and (2) analysis of collective behavior of the detected magnetic events using a generalized version of the Grassberger-Procaccia correlation integral algorithm. The scale-free nature of the developed algorithms makes it possible to characterize the dynamics of the photospheric network across a wide range of distances and relaxation times. Three types of photospheric conditions are considered to test the method: a quiet photosphere, a solar active region (NOAA 10365) in a quiescent non-flaring state, and the same active region during a period of M-class flares. The results obtained show (1) the presence of a topologically complex asymmetrically fragmented magnetic network in the quiet photosphere driven by meso- and supergranulation, (2) the formation of non-potential magnetic structures with complex polarity separation lines inside the active region, and (3) statistical signatures of canceling bipolar magnetic structures coinciding with flaring activity in the active region. Each of these effects can represent an unstable magnetic configuration acting as an energy source for coronal dissipation and heating.
Annual Report 1998: Chemical Structure and Dynamics
Energy Technology Data Exchange (ETDEWEB)
SD Colson; RS McDowell
The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Labo- ratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of- the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interracial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in envi- ronmental chemistry and in nuclear waste proc- essing and storage; and (3) developing state-of- the-art analytical methods for characterizing com- plex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. Our program aims at achieving a quantitative understanding of chemical reactions at interfaces and, more generally, in condensed media, compa- rable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for pre- dicting macroscopic chemical behavior in con- densed and heterogeneous media, which will add significantly to the value of field-scale envi- ronmental models, predictions of short- and long- term nuclear waste storage stabilities, and other areas related to the primary missions of the U.S. Department of Energy (DOE).
Structure and Dynamics of Negative Ions
International Nuclear Information System (INIS)
This report describes progress made during the final three-year grant period 1997-2000. During this period, we experimentally investigated the structure and dynamics of negative ions by detaching the outermost electron in controlled processes induced by photon-, electron- and heavy particle-impact. In this manner we studied, at a fundamental level, the role of electron correlation in the structure and dynamics of simple, few-particle atomic systems. Our measurements have provided sensitive tests of the ability of theory to go beyond the independent electron model
Structural dynamics of electronic and photonic systems
Suhir, Ephraim; Steinberg, David S
The proposed book will offer comprehensive and versatile methodologies and recommendations on how to determine dynamic characteristics of typical micro- and opto-electronic structural elements (printed circuit boards, solder joints, heavy devices, etc.) and how to design a viable and reliable structure that would be able to withstand high-level dynamic loading. Particular attention will be given to portable devices and systems designed for operation in harsh environments (such as automotive, aerospace, military, etc.) In-depth discussion from a mechanical engineer's viewpoint will be conducte
Effect of Ring Size in ω-Alicyclic Fatty Acids on the Structural and Dynamical Properties Associated with Fluidity in Lipid Bilayers.
Poger, David; Mark, Alan E
Fatty acids containing a terminal cyclic group such as cyclohexyl and cycloheptyl are commonly found in prokaryotic membranes, especially in those of thermo-acidophilic bacteria. These so-called ω-alicyclic fatty acids have been proposed to stabilize the membranes of bacteria by reducing the fluidity in membranes and increasing lipid packing and lipid chain order. In this article, molecular dynamics simulations are used to examine the effect of 3- to 7-membered cycloalkyl saturated and unsaturated (cyclopent-2-enyl and phenyl) rings in ω-alicyclic fatty acyl chains on the structure (lipid packing, lipid chain order, and fraction of gauche defects in the chains) and dynamics (lateral lipid diffusion) of a model lipid bilayer. It was found that ω-alicyclic chains in which the ring was saturated reduced lipid condensation and lowered chain order which would be associated with enhanced fluidity. However, this effect was limited. The lateral diffusion of the lipids diminished as the ring size increased. In particular, ω-cyclohexyl and ω-cycloheptyl acyl tails led to a decrease in lipid diffusion. In contrast, ω-alicyclic acyl chains that contain an unsaturated ring promoted membrane fluidity both in terms of changes in membrane structure and lipid diffusion. This may indicate that saturated and unsaturated terminal rings in ω-alicyclic fatty acids fulfill alternative functions within membranes. Overall, the simulations suggest that ω-alicyclic fatty acids in which the terminal ring is saturated might protect the membrane of thermo-acidophilic bacteria from high-temperature and low-pH conditions through a "dynamical barrier" that would limit lipid diffusion and transmembrane diffusion of undesired ions and molecules.
Dynamical structure of hadron emission sources
Zhao Xi; Zhao Shu Song
NA22 experimental data of the triplet seagull effects show that the Doppler effects of hadron emission sources exist exactly in hadron- hadron collisions. Every source possesses the same average energy (CMS) approximately. The collective seagull effects can be also explained by the (aQ)/sup nu /K/sub nu / (aQ) distributions (generalized functions). The dynamical structure of a hadron emission source is described by the (aQ)/sup nu /K/sub nu / (aQ) distributions. The anomalous dimensions of the pionic quantum fields are gamma /sub B/(g/sub R/)=-0.045+or-0.012, which control the singularities of the production amplitude in quantum field theory. The mathematical parameter epsilon =4-D (the dimension D of space time) in the Feynman integrals can be replaced by the anomalous gamma /sub B/(g/sub R/) of the quantum fields for the regularization. (-2 gamma /sub B/(g/sub R/) to or from epsilon /2=1/ln( Lambda /sup 2//m /sup 2/) Lambda to infinity ). (26 refs).
Dynamical structure of hadron emission sources
International Nuclear Information System (INIS)
Zhao Xi; Huang Bangrong; Zhao Shusong
NA22 experimental data of the triplet seagull effects show that the Doppler effects of the hadron emission sources exist exactly in the hadron-hadron collisions. Every source possesses the same average energy (CMS) approximately. The collective seagull effects can be also explained by the (aQ) ν K ν (aQ) distributions (Generalized functions). The dynamical structure of a hadron emission source is described by the (aQ) ν K ν (aQ) distributions. The anomalous dimensions of the pionic quantum fields are γ B (g R ) = - 0.045 +- 0.012, which control the singularities of the production amplitude in quantum field theory. The mathematical parameter ε = 4-D (the dimension D of space time) in the Feynman integrals can be replaced by the anomalous γ B (g R ) of the quantum fields for the regularization. (-2γ B (g R )↔ε/2 1/ln(Λ 2 /m 2 )Λ→∞)
Chemical structure and dynamics: Annual report 1993
Energy Technology Data Exchange (ETDEWEB)
Colson, S.D.
The Chemical Structure and Dynamics program responds to the need for a fundamental, molecular-level understanding of chemistry at the wide variety of environmentally-important interfaces. The research program is built around the established relationship between structure, thermodynamics, and kinetics. This research effort continues to evolve into a program of rigorous studies of fundamental molecular processes in model systems (e.g., well-characterized surfaces, single-component solutions, clusters, and biological molecules), and studies of complex systems found in the environment. Experimental studies of molecular and supramolecular structures and thermodynamics are key to understanding the nature of matter, and lead to direct comparison with computational results. Kinetic and mechanistic measurements, combined with real-time dynamics measurements of atomic and molecular motions during chemical reactions, provide for a molecular-level description of chemical reactions. The anticipated results of this work are the achievement of a quantitative understanding of chemical processes at complex interfaces, the development of new techniques for the detection and measurement of species at such interfaces, and the interpretation and extrapolation of the observations in terms of models of interfacial chemistry. The Chemical Structure and Dynamics research program includes five areas described in detail in this report: Reaction mechanisms at solid interfaces; Solution and solution interfaces; Structure and dynamics of biological systems; Analytical methods development; and atmospheric chemistry. Extended abstracts are presented for 23 studies.
The effect of S-substitution at the O6-guanine site on the structure and dynamics of a DNA oligomer containing a G:T mismatch.
Directory of Open Access Journals (Sweden)
Elaine Ann Moore
Full Text Available The effect of S-substitution on the O6 guanine site of a 13-mer DNA duplex containing a G:T mismatch is studied using molecular dynamics. The structure, dynamic evolution and hydration of the S-substituted duplex are compared with those of a normal duplex, a duplex with S-substitution on guanine, but no mismatch and a duplex with just a G:T mismatch. The S-substituted mismatch leads to cell death rather than repair. One suggestion is that the G:T mismatch recognition protein recognises the S-substituted mismatch (GS:T as G:T. This leads to a cycle of futile repair ending in DNA breakage and cell death. We find that some structural features of the helix are similar for the duplex with the G:T mismatch and that with the S-substituted mismatch, but differ from the normal duplex, notably the helical twist. These differences arise from the change in the hydrogen-bonding pattern of the base pair. However a marked feature of the S-substituted G:T mismatch duplex is a very large opening. This showed considerable variability. It is suggested that this enlarged opening would lend support to an alternative model of cell death in which the mismatch protein attaches to thioguanine and activates downstream damage-response pathways. Attack on the sulphur by reactive oxygen species, also leading to cell death, would also be aided by the large, variable opening.
Structure and dynamics of the solar chromosphere
Krijger, Johannes Mattheus
The thesis "Structure and dynamics of the solar chromosphere" of J.M. Krijger is a study on the behavior of the solar chromosphere, the thin layer just above the solar surface (photosphere) visible in purple red light during a total solar eclipse. The most important result of this thesis is that the
Structural dynamic modification using additive damping
Indian Academy of Sciences (India)
elements, FEM and perturbation methods for reanalysis or structural dynamic modification ... to a system changes its mass, stiffness and damping. Thus ... due to the phase difference between stress ' and strain or 'a И E1 З iE2 for direct strain.
Proteins with Novel Structure, Function and Dynamics
Pohorille, Andrew
Recently, a small enzyme that ligates two RNA fragments with the rate of 10(exp 6) above background was evolved in vitro (Seelig and Szostak, Nature 448:828-831, 2007). This enzyme does not resemble any contemporary protein (Chao et al., Nature Chem. Biol. 9:81-83, 2013). It consists of a dynamic, catalytic loop, a small, rigid core containing two zinc ions coordinated by neighboring amino acids, and two highly flexible tails that might be unimportant for protein function. In contrast to other proteins, this enzyme does not contain ordered secondary structure elements, such as alpha-helix or beta-sheet. The loop is kept together by just two interactions of a charged residue and a histidine with a zinc ion, which they coordinate on the opposite side of the loop. Such structure appears to be very fragile. Surprisingly, computer simulations indicate otherwise. As the coordinating, charged residue is mutated to alanine, another, nearby charged residue takes its place, thus keeping the structure nearly intact. If this residue is also substituted by alanine a salt bridge involving two other, charged residues on the opposite sides of the loop keeps the loop in place. These adjustments are facilitated by high flexibility of the protein. Computational predictions have been confirmed experimentally, as both mutants retain full activity and overall structure. These results challenge our notions about what is required for protein activity and about the relationship between protein dynamics, stability and robustness. We hypothesize that small, highly dynamic proteins could be both active and fault tolerant in ways that many other proteins are not, i.e. they can adjust to retain their structure and activity even if subjected to mutations in structurally critical regions. This opens the doors for designing proteins with novel functions, structures and dynamics that have not been yet considered.
Dynamics effects on a wooden footbridge
Directory of Open Access Journals (Sweden)
Vašková Veronika
Full Text Available The timber is the current trend for the construction of many footbridges because of many reasons as price, aesthetics and ecology. Most of these structures are designed using simple static models and massive elements. However, there are implemented more complicated constructions including suspended footbridge in Příbor in Czech Republic. This construction with efficient use of material is more susceptible to dynamic effect. The article describes monitoring of dynamics effects at the construction with result of installation dynamics dampers.
Capital Structure, Environmental Dynamism, Innovation Strategy, and Strategic Risk Management
DEFF Research Database (Denmark)
Juul Andersen, Torben
Previous research found that capital structure affects performance when it is adapted to the level of environmental dynamism and pursuit of an innovation strategy. The current study reproduces some of these relationships in a more recent dataset but also identifies significant nuances across...... industrial environments. Analyses of a large cross sectional sample and various industry sub-samples suggest that other factors have influenced capital structure effects in recent years including flexibilities in multinational organization and effective strategic risk management capabilities....
Mid-frequency Band Dynamics of Large Space Structures
Coppolino, Robert N.; Adams, Douglas S.
High and low intensity dynamic environments experienced by a spacecraft during launch and on-orbit operations, respectively, induce structural loads and motions, which are difficult to reliably predict. Structural dynamics in low- and mid-frequency bands are sensitive to component interface uncertainty and non-linearity as evidenced in laboratory testing and flight operations. Analytical tools for prediction of linear system response are not necessarily adequate for reliable prediction of mid-frequency band dynamics and analysis of measured laboratory and flight data. A new MATLAB toolbox, designed to address the key challenges of mid-frequency band dynamics, is introduced in this paper. Finite-element models of major subassemblies are defined following rational frequency-wavelength guidelines. For computational efficiency, these subassemblies are described as linear, component mode models. The complete structural system model is composed of component mode subassemblies and linear or non-linear joint descriptions. Computation and display of structural dynamic responses are accomplished employing well-established, stable numerical methods, modern signal processing procedures and descriptive graphical tools. Parametric sensitivity and Monte-Carlo based system identification tools are used to reconcile models with experimental data and investigate the effects of uncertainties. Models and dynamic responses are exported for employment in applications, such as detailed structural integrity and mechanical-optical-control performance analyses.
Effects of alcohols on the stability and low-frequency local motions that control the slow changes in structural dynamics of ferrocytochrome c.
Jain, Rishu; Sharma, Deepak; Kumar, Rajesh
To determine the effects of alcohols on the low-frequency local motions that control slow changes in structural dynamics of native-like compact states of proteins, we have studied the effects of alcohols on structural fluctuation of M80-containing Ω-loop by measuring the rate of thermally driven CO dissociation from a natively folded carbonmonoxycytochrome c under varying concentrations of alcohols (methanol, ethanol, 1-propanol, 2-propanol, 3°-butanol, 2,2,2-trifluoroethanol). As alcohol is increased, the rate coefficient of CO dissociation (k(diss)) first decreases in subdenaturing region and then increases on going from subdenaturing to denaturing milieu. This decrease in k(diss) is more for 2,2,2-trifluroethanol and 1-propanol and least for methanol, indicating that the first phase of motional constraint is due to the hydrophobicity of alcohols and intramolecular protein cross-linking effect of alcohols, which results in conformational entropy loss of protein. The thermal denaturation midpoint for ferrocytochrome c decreases with increase in alcohol, indicating that alcohol decrease the global stability of protein. The stabilization free energy (ΔΔG) in alcohols' solution was calculated from the slope of the Wyman-Tanford plot and water activity. The m-values obtained from the slope of ΔΔG versus alcohols plot were found to be more negative for longer and linear chain alcohols, indicating destabilization of proteins by alcohols through disturbance of hydrophobic interactions and hydrogen bonding.
Matrix of transmission in structural dynamics
International Nuclear Information System (INIS)
Mukherjee, S.
Within the last few years numerous papers have been published on the subject of matrix method in elasto-mechanics. 'Matrix of Transmission' is one of the methods in this field which has gained considerable attention in recent years. The basic philosophy adopted in this method is based on the idea of breaking up a complicated system into component parts with simple elastic and dynamic properties which can be readily expressed in matrix form. These component matrices are considered as building blocks, which are fitted together according to a set of predetermined rules which then provide the static and dynamic properties of the entire system. A common type of system occuring in engineering practice consists of a number of elements linked together end to end in the form of a chain. The 'Transfer Matrix' is ideally suited for such a system, because only successive multiplication is necessary to connect these elements together. The number of degrees of freedom and intermediate conditions present no difficulty. Although the 'Transfer Matrix' method is suitable for the treatment of branched and coupled systems its application to systems which do not have predominant chain topology is not effective. Apart from the requirement that the system be linearely elastic, no other restrictions are made. In this paper, it is intended to give a general outline and theoretical formulation of 'Transfer Matrix' and then its application to actual problems in structural dynamics related to seismic analysis. The natural frequencies of a freely vibrating elastic system can be found by applying proper end conditions. The end conditions will yield the frequency determinate to zero. By using a suitable numerical method, the natural frequencies and mode shapes are determined by making a frequency sweep within the range of interest. Results of an analysis of a typical nuclear building by this method show very close agreement with the results obtained by using ASKA and SAP IV program. Therefore
Molecular dynamics simulations of the atomistic structure of the intergranular film between silicon nitride grains: Effect of composition, thickness, and surface vacancies
International Nuclear Information System (INIS)
Garofalini, Stephen H.
Molecular dynamics computer simulations were used to study the atomistic structure of intergranular films (IGFs) between two basal oriented Si 3 N 4 crystals or between combined basal and prism oriented crystals. Ordering of the ions into the IGF induced by the crystal surfaces was observed using density profiles of the ions, although that ordering is effected by the roughness of the crystal surface. Density profiles of the sum of all ions misleadingly shows a rapid decay in the density oscillations and apparent ordering into the IGF. However, this is an artifact of the coincidence of the maximum in the peaks of one species with the minimum of another species and the actual oscillations of individual species extend into the IGF farther than the sum profile indicates. This result would have important implications regarding the density oscillations observed in physical experiments with regard to the actual extent of ordering into the IGF induced by the crystal surface
Measurement of the structure functions F 2 and xF 3 and comparison with QCD predictions including kinematical and dynamical higher twist effects
Varvell, K.; Cooper-Sarkar, A. M.; Parker, M. A.; Sansum, R. A.; Aderholz, M.; Armenise, N.; Baton, J. P.; Bullock, F. W.; Berggren, M.; Bertrand, D.; Brisson, V.; Burkot, W.; Calcchio, M.; Claytoh, E. F.; Coghen, T.; Erriquez, O.; Fitch, P. J.; Gerbier, G.; Guy, J.; Hulth, P. O.; Iaselli, G.; Jones, G. T.; Kasper, P.; Klein, H.; Kochowski, C.; Marage, P.; Mermikides, M.; Middleton, R. P.; Morrison, D. R. O.; Mobayyen, M. M.; Natali, S.; Neveu, M.; Nuzzo, S.; O'Neale, S. W.; Petiau, P.; Petrides, A.; Ruggieri, F.; Sacton, J.; Simopoulou, E.; Vallee, C.; Vayaki, A.; Venus, W. A.; Wachsmuth, H.; Wells, J.; Wittek, W.
The isoscalar nucleon structure functions F 2( x, Q 2) and xF 3( x, Q 2) are measured in the range 0< Q 2<64 GeV2, 1.7< W 2<250 GeV2, x<0.7 using ν andbar v interactions on neon in BEBC. The data are used to evaluate possible higher twist contributions and to determine their impact on the evaluation of the QCD parameter Λ. In contrast to previous analyses reaching to such low W 2 values, it is found that a lowΛ _{overline {MS} } value in the neighbourhood of 100 MeV describes the data adequately and that the contribution of dynamical higher twist effects is small and negative.
Glitches as probes of neutron star internal structure and dynamics: Effects of the superfluid-superconducting core
Gügercinoğlu, Erbil
Glitches, sudden spin-up of pulsars with subsequent recovery, provide us with a unique opportunity to investigate various physical processes, including the crust-core coupling, distribution of reservoir angular momentum within different internal layers, spin-up in neutral and charged superfluids and constraining the equation of state of the neutron star (NS) matter. In this work, depending on the dynamic interaction between the vortex lines and the nuclei in the inner crust, and between the vortex lines and the magnetic flux tubes in the outer core, various types of relaxation behavior are obtained and confronted with the observations. It is shown that the glitches have strong potential to deduce information about the cooling behavior and interior magnetic field configuration of NSs. Some implications of the relative importance of the external spin-down torques and the superfluid internal torques for recently observed unusual glitches are also discussed.
Dynamic analysis on market structure of China's coal industry
International Nuclear Information System (INIS)
Yang, Qing; Zhang, Lei; Wang, Xin
According to industrial organization theory, market structure is a crucial factor to market performance. Based on the VAR model and the data from 1994 to 2014, we revealed the dynamic response route of the market structure to these factors and the change process of contribution rate of these factors to the market structure. It shows that market structure is inertial adjustment; technology advance and industry policy have continuous effects on improvement of market concentration ratio; market size and production scale have sustained negative effects on market concentration ratio; fixed capital has barrier effect, which is mainly the entry barrier effect at the beginning, and then the exit barrier effect continues to play a leading role. Therefore, the government has no need to introduce special policies to encourage merger or expansion on the capacity as enterprises would do it spontaneously; it is necessary to make market access system stricter, to improve exit compensation mechanism and to promote technological innovation; all these policies need dynamic adjustment based on the stages of economic cycle. - Highlights: • The adjustment mechanism of China's coal market structure is revealed. • Technology and industry policy are significant factors to optimize the market structure. • The government need not introduce special policy to encourage merger. • The market access system should be stricter. • Policies strength should be dynamically adjusted based on the economic cycle.
Dynamic characteristics analysis of deployable space structures considering joint clearance
Li, Tuanjie; Guo, Jian; Cao, Yuyan
The clearance in joints influences the dynamic stability and the performance of deployable space structures (DSS). A virtual experimental modal analysis (VEMA) method is proposed to deal with the effects of joint clearance and link flexibility on the dynamic characteristics of the DSS in this paper. The focus is on the finite element modeling of the clearance joint, VEMA and the modal parameters identification of the DSS. The finite element models (FEM) of the clearance joint and the deployable structure are established in ANSYS. The transient dynamic analysis is conducted to provide the time history data of excitation and response for the VEMA. The fast Fourier transform (FFT) technique is used to transform the data from time domain to frequency domain. The frequency response function is calculated to identify the modal parameters of the deployable structure. Experimental verification is provided to indicate the VEMA method is both a cost and time efficient approach to obtain the dynamic characteristics of the DSS. Finally, we analyze the effects of clearance size and gravity on the dynamic characteristics of the DSS. The analysis results indicate that the joint clearance and gravity strongly influence the dynamic characteristics of the DSS.
Emotional effects of dynamic textures
Toet, A.; Henselmans, M.; Lucassen, M.P.; Gevers, T.
This study explores the effects of various spatiotemporal dynamic texture characteristics on human emotions. The emotional experience of auditory (eg, music) and haptic repetitive patterns has been studied extensively. In contrast, the emotional experience of visual dynamic textures is still largely
Surface-screening mechanisms in ferroelectric thin films and their effect on polarization dynamics and domain structures
Kalinin, Sergei V.; Kim, Yunseok; Fong, Dillon D.; Morozovska, Anna N.
For over 70 years, ferroelectric materials have been one of the central research topics for condensed matter physics and material science, an interest driven both by fundamental science and applications. However, ferroelectric surfaces, the key component of ferroelectric films and nanostructures, still present a significant theoretical and even conceptual challenge. Indeed, stability of ferroelectric phase per se necessitates screening of polarization charge. At surfaces, this can lead to coupling between ferroelectric and semiconducting properties of material, or with surface (electro) chemistry, going well beyond classical models applicable for ferroelectric interfaces. In this review, we summarize recent studies of surface-screening phenomena in ferroelectrics. We provide a brief overview of the historical understanding of the physics of ferroelectric surfaces, and existing theoretical models that both introduce screening mechanisms and explore the relationship between screening and relevant aspects of ferroelectric functionalities starting from phase stability itself. Given that the majority of ferroelectrics exist in multiple-domain states, we focus on local studies of screening phenomena using scanning probe microscopy techniques. We discuss recent studies of static and dynamic phenomena on ferroelectric surfaces, as well as phenomena observed under lateral transport, light, chemical, and pressure stimuli. We also note that the need for ionic screening renders polarization switching a coupled physical–electrochemical process and discuss the non-trivial phenomena such as chaotic behavior during domain switching that stem from this. ).
Effect of Na2CO3 as Foaming Agent on Dynamics and Structure of Foam Glass Melts
DEFF Research Database (Denmark)
Petersen, Rasmus Rosenlund; König, Jakob; Smedskjær, Morten Mattrup
We investigate the kinetics and dynamics of the reaction between Na2CO3 and the cathode ray tube panel glass powder at 923-1173 K. The reaction causes foaming of the glass melt. After the reaction, the Tg decreases with increasing Na2CO3 content and reaches a minimum value of Tg. However, this Tg...... value is even lower than that of the homogeneous bulk glass with the same chemical composition. The lower Tg of the foam glass could be attributed to inhomogeneous incorporation of Na in the glass, leading to Na-rich domains that cause an overall decrease of Tg. Remarkably, after 5 min treatment at 1073...... K, the Tg drops by 120 K, indicating that the reaction between Na2CO3 and glass is very fast. Increasing treatment duration causes a slight increase of Tg likely due to both a more homogeneous Na distribution and the compositional change of the glass as a result of Na2SrSi2O6 crystal formation....
Surface-screening mechanisms in ferroelectric thin films and their effect on polarization dynamics and domain structures
Energy Technology Data Exchange (ETDEWEB)
Kalinin, Sergei V.; Kim, Yunseok; Fong, Dillon D.; Morozovska, Anna N.
For over 70 years, ferroelectric materials have been one of the central research topics for condensed matter physics and material science, an interest driven both by fundamental science and applications. However, ferroelectric surfaces, the key component of ferroelectric films and nanostructures, still present a significant theoretical and even conceptual challenge. Indeed, stability of ferroelectric phase per se necessitates screening of polarization charge. At surfaces, this can lead to coupling between ferroelectric and semiconducting properties of material, or with surface (electro) chemistry, going well beyond classical models applicable for ferroelectric interfaces. In this review, we summarize recent studies of surface-screening phenomena in ferroelectrics. We provide a brief overview of the historical understanding of the physics of ferroelectric surfaces, and existing theoretical models that both introduce screening mechanisms and explore the relationship between screening and relevant aspects of ferroelectric functionalities starting from phase stability itself. Given that the majority of ferroelectrics exist in multiple-domain states, we focus on local studies of screening phenomena using scanning probe microscopy techniques. We discuss recent studies of static and dynamic phenomena on ferroelectric surfaces, as well as phenomena observed under lateral transport, light, chemical, and pressure stimuli. We also note that the need for ionic screening renders polarization switching a coupled physical-electrochemical process and discuss the non-trivial phenomena such as chaotic behavior during domain switching that stem from this.
Numerical simulation of SPH for dynamics effect of multilayer discontinuous structure irradiated by impulse X-ray
International Nuclear Information System (INIS)
Xu Binbin; Tang Wenhui; Ran Xianwen; Xu Zhihong; Chen Hua
When high energy X-ray irradiates material, it will cause energy deposition in materials, and generates thermal shock wave. At present, finite difference method is used to the numerical simulation of thermal shock usually, but if considering the inter-space between the multilayer materials, the difference method will be more difficult. This paper used the SPH method to simulate multilayer discontinuous structure irradiated by high energy X-ray, and the results show that the gap between the materials of each layer has a certain influence on the thermal shock wave intensity, but doesn't have any affect to gasification impulse. (authors)
On R factors for dynamic structure crystallography
DEFF Research Database (Denmark)
Coppens, Philip; Kaminski, Radoslaw; Schmøkel, Mette Stokkebro
In studies of dynamic changes in crystals in which induced metastable species may have lifetimes of microseconds or less, refinements are most sensitive if based on the changes induced in the measured intensities. Agreement factors appropriate for such refinements, based on the ratios of the inte...... of the intensities before and after the external perturbation is applied, are discussed and compared with R factors commonly applied in static structure crystallography....
Feature Extraction for Structural Dynamics Model Validation
Energy Technology Data Exchange (ETDEWEB)
Farrar, Charles [Los Alamos National Laboratory; Nishio, Mayuko [Yokohama University; Hemez, Francois [Los Alamos National Laboratory; Stull, Chris [Los Alamos National Laboratory; Park, Gyuhae [Chonnam Univesity; Cornwell, Phil [Rose-Hulman Institute of Technology; Figueiredo, Eloi [Universidade Lusófona; Luscher, D. J. [Los Alamos National Laboratory; Worden, Keith [University of Sheffield
As structural dynamics becomes increasingly non-modal, stochastic and nonlinear, finite element model-updating technology must adopt the broader notions of model validation and uncertainty quantification. For example, particular re-sampling procedures must be implemented to propagate uncertainty through a forward calculation, and non-modal features must be defined to analyze nonlinear data sets. The latter topic is the focus of this report, but first, some more general comments regarding the concept of model validation will be discussed.
Dynamic effects of diabatization in distillation columns
DEFF Research Database (Denmark)
Bisgaard, Thomas; Huusom, Jakob Kjøbsted; Abildskov, Jens
The dynamic effects of diabatization in distillation columns are investigated in simulation emphasizing the heat-integrated distillation column (HIDiC). A generic, dynamic, first-principle model has been formulated, which is flexible enough to describe various diabatic distillation configurations....... Dynamic Relative Gain Array and Singular Value Analysis have been applied in a comparative study of a conventional distillation column and a HIDiC. The study showed increased input-output coupling due to diabatization. Feasible SISO control structures for the HIDiC were also found and control...
Structure and dynamics of the magnetopause
International Nuclear Information System (INIS)
Wang, Z.
This thesis addresses several topics concerning the structure and dynamics of the magnetopause. These topics include the role of the magnetopause in global convection, the Kelvin-Helmholtz (K-H) instability, which accounts for momentum transport at the magnetopause, the formation of flux ropes by the tearing and twisting modes and particle diffusion across the magnetopause resulting from the destruction of magnetic surfaces. The author establishs an analytic electric field model for an open magnetosphere and introduce a magnetopause to control the reconnection rate and momentum transport. A realistic magnetospheric configuration is realized by 'stretch transformation'. The role of magnetic nulls in the electric field is approached with a technique for direct calculation of electric fields along field lines. Results indicate that electric fields associated with A-type or B-type nulls are generally singular. Then the author considers kinetic effects on the K-H instability. Contrary to the logical assumption that Landau damping damps the instability, it can instead enhance the growth and increase the spatial extent of the instability because the heating of resonance particles enhances the pressure perturbation. A gravitational analogy is used to determine the effect of curvature on K-H instability and it is found that the critical Richardson number for stability increases from 1/4 for incompressible fluids to 1/2 for compressible fluids. The flux rope, which accounts for flux transfer events (FTE), can be formed by a tearing or twisting mode. The tearing mode is self excited by the free energy associated with the magnetic configuration, while the twisting mode must be externally driven. The shear flow generates the twisting mode and reduces the growth rate of the tearing mode. The flux ropes resulting from the twisting mode closely resemble FTE's which have a longer pitch length than that from tearing mode
Handbook on dynamics of jointed structures.
Energy Technology Data Exchange (ETDEWEB)
Ames, Nicoli M.; Lauffer, James P.; Jew, Michael D.; Segalman, Daniel Joseph; Gregory, Danny Lynn; Starr, Michael James; Resor, Brian Ray
The problem of understanding and modeling the complicated physics underlying the action and response of the interfaces in typical structures under dynamic loading conditions has occupied researchers for many decades. This handbook presents an integrated approach to the goal of dynamic modeling of typical jointed structures, beginning with a mathematical assessment of experimental or simulation data, development of constitutive models to account for load histories to deformation, establishment of kinematic models coupling to the continuum models, and application of finite element analysis leading to dynamic structural simulation. In addition, formulations are discussed to mitigate the very short simulation time steps that appear to be required in numerical simulation for problems such as this. This handbook satisfies the commitment to DOE that Sandia will develop the technical content and write a Joints Handbook. The content will include: (1) Methods for characterizing the nonlinear stiffness and energy dissipation for typical joints used in mechanical systems and components. (2) The methodology will include practical guidance on experiments, and reduced order models that can be used to characterize joint behavior. (3) Examples for typical bolted and screw joints will be provided.
Structural dynamic analysis of turbine blade
Antony, A. Daniel; Gopalsamy, M.; Viswanadh, Chaparala B. V.; Krishnaraj, R.
In any gas turbine design cycle, blade design is a crucial element which needs maximum attention to meet the aerodynamic performance, structural safety margins, manufacturing feasibility, material availability etc. In present day gas turbine engines, most of the failures occur during engine development test and in-service, in rotor and stator blades due to fatigue and resonance failures. To address this issue, an extensive structural dynamic analysis is carried out to predict the natural frequencies and mode shapes using FE methods. Using the dynamics characteristics, the Campbell diagram is constructed to study the possibility of resonance at various operating speeds. In this work, the feasibility of using composite material in place of titanium alloy from the structural dynamics point of view. This is being attempted in a Low-pressure compressor where the temperatures are relatively low and fixed with the casings. The analysis will be carried out using FE method for different composite material with different lamina orientations chosen through the survey. This study will focus on the sensitivity of blade mode shapes to different laminae orientations, which will be used to alter the natural frequency and tailor the mode shapes. Campbell diagrams of existing titanium alloy are compared with the composite materials with different laminae at all critical operating conditions. The existing manufacturing methods and the proven techniques for blade profiles will also be discussed in this report.
Two stage approach to dynamic soil structure interaction
International Nuclear Information System (INIS)
Nelson, I.
A two stage approach is used to reduce the effective size of soil island required to solve dynamic soil structure interaction problems. The ficticious boundaries of the conventional soil island are chosen sufficiently far from the structure so that the presence of the structure causes only a slight perturbation on the soil response near the boundaries. While the resulting finite element model of the soil structure system can be solved, it requires a formidable computational effort. Currently, a two stage approach is used to reduce this effort. The combined soil structure system has many frequencies and wavelengths. For a stiff structure, the lowest frequencies are those associated with the motion of the structure as a rigid body. In the soil, these modes have the longest wavelengths and attenuate most slowly. The higher frequency deformational modes of the structure have shorter wavelengths and their effect attenuates more rapidly with distance from the structure. The difference in soil response between a computation with a refined structural model, and one with a crude model, tends towards zero a very short distance from the structure. In the current work, the 'crude model' is a rigid structure with the same geometry and inertial properties as the refined model. Preliminary calculations indicated that a rigid structure would be a good low frequency approximation to the actual structure, provided the structure was much stiffer than the native soil. (orig./RW)
Directory of Open Access Journals (Sweden)
Florian Ion Tiberiu Petrescu
Full Text Available Normal 0 false false false EN-US X-NONE X-NONE MicrosoftInternetExplorer4 Flat structures 2R can solve all the problems posed by all the robotic anthropomorphic structures. The study of the anthropomorphic robots by the use of a flat structure 2R is a much easier method than classical used spatial methods. The paper outlines a method for the determination of dynamic to a robotic structure 2R balanced. 2R plane structures are used in practice only in the form balanced, for which in this paper will be made, initial, the total balance, and then the study cinematico-dynamic will only develop on the model already balanced. Dynamic relations presented then briefly without deduction will be explained and discussed with regard to their application. On the basis of the model presented and following calculations performed can be chosen correctly the two electric motors in the actuator. /* Style Definitions */ table.MsoNormalTable {mso-style-name:"Table Normal"; mso-tstyle-rowband-size:0; mso-tstyle-colband-size:0; mso-style-noshow:yes; mso-style-priority:99; mso-style-qformat:yes; mso-style-parent:""; mso-padding-alt:0cm 5.4pt 0cm 5.4pt; mso-para-margin:0cm; mso-para-margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:11.0pt; font-family:"Calibri","sans-serif"; mso-ascii-font-family:Calibri; mso-ascii-theme-font:minor-latin; mso-fareast-font-family:"Times New Roman"; mso-fareast-theme-font:minor-fareast; mso-hansi-font-family:Calibri; mso-hansi-theme-font:minor-latin; mso-bidi-font-family:"Times New Roman"; mso-bidi-theme-font:minor-bidi;}
Dynamic analysis of the BPX machine structure
International Nuclear Information System (INIS)
Dahlgen, F.; Citrolo, J.; Knutson, D.; Kalish, M.
A preliminary analysis of the response of the BPX machine structure to a seismic input was performed. MSC/NASTRAN 5 , a general purpose XXX element computer code, has been used. The purpose of this paper is to assess the probable range of seismically induced stresses and deflections in the machine substructure which connects the machine to the test cell floor, with particular emphasis on the shear pins which will be used to attach the TF coil modules to the machine substructure (for a more detailed description of the shear pins and structure see ref. 4 in these proceedings). The model was developed with sufficient detail to be used subsequently to investigate the transient response to various dynamic loading conditions imposed on the structure by the PF, TF, and Vacuum Vessel, during normal and off-normal operations. The model does not include the mass and stiffness of the building or the building-soil interaction and as such can only be considered an interim assessment of the dynamic response of the machine to the S.S.E.(this is the Safe Shutdown Earthquake which is also the Design XXX Earthquake for all major structural components)
Dynamic Analysis of Partially Embedded Structures Considering Soil-Structure Interaction in Time Domain
Directory of Open Access Journals (Sweden)
Sanaz Mahmoudpour
Full Text Available Analysis and design of structures subjected to arbitrary dynamic loadings especially earthquakes have been studied during past decades. In practice, the effects of soil-structure interaction on the dynamic response of structures are usually neglected. In this study, the effect of soil-structure interaction on the dynamic response of structures has been examined. The substructure method using dynamic stiffness of soil is used to analyze soil-structure system. A coupled model based on finite element method and scaled boundary finite element method is applied. Finite element method is used to analyze the structure, and scaled boundary finite element method is applied in the analysis of unbounded soil region. Due to analytical solution in the radial direction, the radiation condition is satisfied exactly. The material behavior of soil and structure is assumed to be linear. The soil region is considered as a homogeneous half-space. The analysis is performed in time domain. A computer program is prepared to analyze the soil-structure system. Comparing the results with those in literature shows the exactness and competency of the proposed method.
30th IMAC, A Conference on Structural Dynamics
Catbas, FN; Mayes, R; Rixen, D; Griffith, DT; Allemang, R; Clerck, J; Klerk, D; Simmermacher, T; Cogan, S; Chauhan, S; Cunha, A; Racic, V; Reynolds, P; Salyards, K; Adams, D; Kerschen, G; Carrella, A; Voormeeren, SN; Allen, MS; Horta, LG; Barthorpe, R; Niezrecki, C; Blough, JR; Vol.1 Topics on the Dynamics of Civil Structures; Vol.2 Topics in Experimental Dynamics Substructuring and Wind Turbine Dynamics; Vol.3 Topics in Nonlinear Dynamics; Vol.4 Topics in Model Validation and Uncertainty Quantification; Vol.5 Topics in Modal Analysis I; Vol.6 Topics in Modal Analysis II
Topics on the Dynamics of Civil Structures, Volume 1, Proceedings of the 30th IMAC, A Conference and Exposition on Structural Dynamics, 2012, the first volume of six from the Conference, brings together 45 contributions to this important area of research and engineering. The collection presents early findings and case studies on fundamental and applied aspects of Structural Dynamics, including papers on: Human Induced Vibrations Bridge Dynamics Operational Modal Analysis Experimental Techniques and Modeling for Civil Structures System Identification for Civil Structures Method and Technologies for Bridge Monitoring Damage Detection for Civil Structures Structural Modeling Vibration Control Method and Approaches for Civil Structures Modal Testing of Civil Structures.
Structural optimization for nonlinear dynamic response
DEFF Research Database (Denmark)
Dou, Suguang; Strachan, B. Scott; Shaw, Steven W.
by a single vibrating mode, or by a pair of internally resonant modes. The approach combines techniques from nonlinear dynamics, computational mechanics and optimization, and it allows one to relate the geometric and material properties of structural elements to terms in the normal form for a given resonance......Much is known about the nonlinear resonant response of mechanical systems, but methods for the systematic design of structures that optimize aspects of these responses have received little attention. Progress in this area is particularly important in the area of micro-systems, where nonlinear...... resonant behaviour is being used for a variety of applications in sensing and signal conditioning. In this work, we describe a computational method that provides a systematic means for manipulating and optimizing features of nonlinear resonant responses of mechanical structures that are described...
Dynamics of Correlation Structure in Stock Market
Directory of Open Access Journals (Sweden)
Maman Abdurachman Djauhari
Full Text Available In this paper a correction factor for Jennrich's statistic is introduced in order to be able not only to test the stability of correlation structure, but also to identify the time windows where the instability occurs. If Jennrich's statistic is only to test the stability of correlation structure along predetermined non-overlapping time windows, the corrected statistic provides us with the history of correlation structure dynamics from time window to time window. A graphical representation will be provided to visualize that history. This information is necessary to make further analysis about, for example, the change of topological properties of minimal spanning tree. An example using NYSE data will illustrate its advantages.
Calculating evolutionary dynamics in structured populations.
Directory of Open Access Journals (Sweden)
Charles G Nathanson
Full Text Available Evolution is shaping the world around us. At the core of every evolutionary process is a population of reproducing individuals. The outcome of an evolutionary process depends on population structure. Here we provide a general formula for calculating evolutionary dynamics in a wide class of structured populations. This class includes the recently introduced "games in phenotype space" and "evolutionary set theory." There can be local interactions for determining the relative fitness of individuals, but we require global updating, which means all individuals compete uniformly for reproduction. We study the competition of two strategies in the context of an evolutionary game and determine which strategy is favored in the limit of weak selection. We derive an intuitive formula for the structure coefficient, sigma, and provide a method for efficient numerical calculation.
The structural dynamics of social class.
Kraus, Michael W; Park, Jun Won
Individual agency accounts of social class persist in society and even in psychological science despite clear evidence for the role of social structures. This article argues that social class is defined by the structural dynamics of society. Specifically, access to powerful networks, groups, and institutions, and inequalities in wealth and other economic resources shape proximal social environments that influence how individuals express their internal states and motivations. An account of social class that highlights the means by which structures shape and are shaped by individuals guides our understanding of how people move up or down in the social class hierarchy, and provides a framework for interpreting neuroscience studies, experimental paradigms, and approaches that attempt to intervene on social class disparities. Copyright © 2017 Elsevier Ltd. All rights reserved.
Full scale dynamic testing of Paks nuclear power plant structures
International Nuclear Information System (INIS)
Da Rin, E.M.
This report refers to the full-scale dynamic structural testing activities that have been performed in December 1994 at the Paks (H) Nuclear Power Plant, within the framework of: the IAEA Coordinated research Programme 'Benchmark Study for the Seismic Analysis and Testing of WWER-type Nuclear Power Plants, and the nuclear research activities of ENEL-WR/YDN, the Italian National Electricity Board in Rome. The specific objective of the conducted investigation was to obtain valid data on the dynamic behaviour of the plant's major constructions, under normal operating conditions, for enabling an assessment of their actual seismic safety to be made. As described in more detail hereafter, the Paks NPP site has been subjected to low level earthquake like ground shaking, through appropriately devised underground explosions, and the dynamic response of the plant's 1 st reactor unit important structures was appropriately measured and digitally recorded. In-situ free field response was measured concurrently and, moreover, site-specific geophysical and seismological data were simultaneously acquired too. The above-said experimental data is to provide basic information on the geophysical and seismological characteristics of the Paks NPP site, together with useful reference information on the true dynamic characteristics of its main structures and give some indications on the actual dynamic soil-structure interaction effects for the case of low level excitation
Dynamic sign structures in visual art and music
DEFF Research Database (Denmark)
Zeller, Jörg
Seemingly static meaning carriers in visual art are considered as aspects of holistic dynamical sign structures.......Seemingly static meaning carriers in visual art are considered as aspects of holistic dynamical sign structures....
Dynamics of a structured neuron population
International Nuclear Information System (INIS)
Pakdaman, Khashayar; Salort, Delphine; Perthame, Benoît
We study the dynamics of assemblies of interacting neurons. For large fully connected networks, the dynamics of the system can be described by a partial differential equation reminiscent of age-structure models used in mathematical ecology, where the 'age' of a neuron represents the time elapsed since its last discharge. The nonlinearity arises from the connectivity J of the network. We prove some mathematical properties of the model that are directly related to qualitative properties. On the one hand, we prove that it is well-posed and that it admits stationary states which, depending upon the connectivity, can be unique or not. On the other hand, we study the long time behaviour of solutions; both for small and large J, we prove the relaxation to the steady state describing asynchronous firing of the neurons. In the middle range, numerical experiments show that periodic solutions appear expressing re-synchronization of the network and asynchronous firing
Applications of Asymptotic Sampling on High Dimensional Structural Dynamic Problems
DEFF Research Database (Denmark)
Sichani, Mahdi Teimouri; Nielsen, Søren R.K.; Bucher, Christian
The paper represents application of the asymptotic sampling on various structural models subjected to random excitations. A detailed study on the effect of different distributions of the so-called support points is performed. This study shows that the distribution of the support points has consid...... dimensional reliability problems in structural dynamics.......The paper represents application of the asymptotic sampling on various structural models subjected to random excitations. A detailed study on the effect of different distributions of the so-called support points is performed. This study shows that the distribution of the support points has...... is minimized. Next, the method is applied on different cases of linear and nonlinear systems with a large number of random variables representing the dynamic excitation. The results show that asymptotic sampling is capable of providing good approximations of low failure probability events for very high...
The Dynamics and Structures of Adsorbed Surfaces
DEFF Research Database (Denmark)
Nielsen, M; Ellenson, W. D.; McTague, J. P.
. Elastic neutron diffraction measurements, determining the two-dimensional structural ordering of the adsorbed films, have been performed on layers of N2, Ar, H2, D2, O2, Kr, and He. Measurements on layers of larger molecules such as CD4 and ND3 have also been reported. Inelastic neutron scattering...... measurements, studying the dynamics of the adsorbed films are only possible in a few especially favourable cases such as 36Ar and D2 films, where the coherent phonon scattering cross-sections are very large. In other cases incoherent scattering from hydrogen can give information about e.g. the mobility...
Structural dynamics of turbo-machines
Rangwala, AS
The book presents a detailed and comprehensive treatment of structural vibration evaluation of turbo-machines. Starting with the fundamentals of the theory of vibration as related to various aspects of rotating machines, the dynamic analysis procedures of a broad spectrum of turbo-machines is covered. An in-depth procedure for analyzing the torsional and flexural oscillations of the components and of the rotor-bearing system is presented. The latest trends in design and analysis are presented, chief among them: Blade and coupled disk-blade mod
Dynamical structure of pure Lovelock gravity
Dadhich, Naresh; Durka, Remigiusz; Merino, Nelson; Miskovic, Olivera
We study the dynamical structure of pure Lovelock gravity in spacetime dimensions higher than four using the Hamiltonian formalism. The action consists of a cosmological constant and a single higher-order polynomial in the Riemann tensor. Similarly to the Einstein-Hilbert action, it possesses a unique constant curvature vacuum and charged black hole solutions. We analyze physical degrees of freedom and local symmetries in this theory. In contrast to the Einstein-Hilbert case, the number of degrees of freedom depends on the background and can vary from zero to the maximal value carried by the Lovelock theory.
Band structure dynamics in indium wires
Chávez-Cervantes, M.; Krause, R.; Aeschlimann, S.; Gierz, I.
One-dimensional indium wires grown on Si(111) substrates, which are metallic at high temperatures, become insulating below ˜100 K due to the formation of a charge density wave (CDW). The physics of this transition is not conventional and involves a multiband Peierls instability with strong interband coupling. This CDW ground state is readily destroyed with femtosecond laser pulses resulting in a light-induced insulator-to-metal phase transition. The current understanding of this transition remains incomplete, requiring measurements of the transient electronic structure to complement previous investigations of the lattice dynamics. Time- and angle-resolved photoemission spectroscopy with extreme ultraviolet radiation is applied to this end. We find that the transition from the insulating to the metallic band structure occurs within ˜660 fs, which is a fraction of the amplitude mode period. The long lifetime of the transient state (>100 ps) is attributed to trapping in a metastable state in accordance with previous work.
Structure and dynamics of molten salts
International Nuclear Information System (INIS)
Rovere, M.; Tosi, M.P.
Modern techniques of liquid state physics have been successfully used over the last decade to probe the microscopic structure and dynamics of a variety of multicomponent liquids in which relative ordering of the species is present near freezing. The alkali halides are prototypes for this specific type of short range order in relation to the nature of bonding, but the systems in question include also other monovalent and polyvalent metal-ion halides, alkali-based intermetallic compounds, and chalcogen-based alloys. A viewpoint is taken in this review which gives attention to relations between liquid and solid phase properties across melting for compound systems at stoichiometric composition. In addition, large deviations from stoichiometry can be realized in the liquid phase, to display trends of evolution of structure, bonding and electronic states with composition. (author)
Dynamic interaction effects in cooling tower groups
International Nuclear Information System (INIS)
Riera, J.D.
A theoretical and experimental determination of the dynamic response of reinforced concrete cooling towers, taking into consideration group effects, are described. The results for an individual tower are thoroughly examined. A complete analysis is then performed for the critical wind orientations, for each tower in a six towers group. It's shown that ignoring group effects in the analysis may lead to a significant underestimation of the structural response. (E.G.) [pt
Molecular structures and intramolecular dynamics of pentahalides
Ischenko, A. A.
This paper reviews advances of modern gas electron diffraction (GED) method combined with high-resolution spectroscopy and quantum chemical calculations in studies of the impact of intramolecular dynamics in free molecules of pentahalides. Some recently developed approaches to the electron diffraction data interpretation, based on direct incorporation of the adiabatic potential energy surface parameters to the diffraction intensity are described. In this way, complementary data of different experimental and computational methods can be directly combined for solving problems of the molecular structure and its dynamics. The possibility to evaluate some important parameters of the adiabatic potential energy surface - barriers to pseudorotation and saddle point of intermediate configuration from diffraction intensities in solving the inverse GED problem is demonstrated on several examples. With increasing accuracy of the electron diffraction intensities and the development of the theoretical background of electron scattering and data interpretation, it has become possible to investigate complex nuclear dynamics in fluxional systems by the GED method. Results of other research groups are also included in the discussion.
Stochastic Erosion of Fractal Structure in Nonlinear Dynamical Systems
Agarwal, S.; Wettlaufer, J. S.
We analyze the effects of stochastic noise on the Lorenz-63 model in the chaotic regime to demonstrate a set of general issues arising in the interpretation of data from nonlinear dynamical systems typical in geophysics. The model is forced using both additive and multiplicative, white and colored noise and it is shown that, through a suitable choice of the noise intensity, both additive and multiplicative noise can produce similar dynamics. We use a recently developed measure, histogram distance, to show the similarity between the dynamics produced by additive and multiplicative forcing. This phenomenon, in a nonlinear fractal structure with chaotic dynamics can be explained by understanding how noise affects the Unstable Periodic Orbits (UPOs) of the system. For delta-correlated noise, the UPOs erode the fractal structure. In the presence of memory in the noise forcing, the time scale of the noise starts to interact with the period of some UPO and, depending on the noise intensity, stochastic resonance may be observed. This also explains the mixing in dissipative dynamical systems in presence of white noise; as the fractal structure is smoothed, the decay of correlations is enhanced, and hence the rate of mixing increases with noise intensity.
Structure and dynamics of aqueous solution of uranyl ions
International Nuclear Information System (INIS)
Chopra, Manish; Choudhury, Niharendu
The present work describes a molecular dynamics simulation study of structure and dynamics of aqueous solution of uranyl ions in water. Structural properties of the system in terms of radial distribution functions and dynamical characteristics as obtained through velocity autocorrelation function and mean square displacements have been analyzed. The results for radial distribution functions show the oxygen of water to form the first solvation shell at 2.4 Å around the uranium atom, whereas the hydrogen atoms of water are distributed around the uranium atom with the major peak at around 3.0 Å. Analyses of transport behaviors of ions and water through MSD indicates that the diffusion of the uranyl ion is much less as compared to that of the water molecules. It is also observed that the dynamical behavior of water molecules gets modified due to the presence of uranyl ion. The effect of increase in concentration of uranyl ions on the structure and dynamics of water molecules is also studied
Structural Dynamics of Tropical Moist Forest Gaps
Hunter, Maria O.; Keller, Michael; Morton, Douglas; Cook, Bruce; Lefsky, Michael; Ducey, Mark; Saleska, Scott; de Oliveira, Raimundo Cosme; Schietti, Juliana
Gap phase dynamics are the dominant mode of forest turnover in tropical forests. However, gap processes are infrequently studied at the landscape scale. Airborne lidar data offer detailed information on three-dimensional forest structure, providing a means to characterize fine-scale (1 m) processes in tropical forests over large areas. Lidar-based estimates of forest structure (top down) differ from traditional field measurements (bottom up), and necessitate clear-cut definitions unencumbered by the wisdom of a field observer. We offer a new definition of a forest gap that is driven by forest dynamics and consistent with precise ranging measurements from airborne lidar data and tall, multi-layered tropical forest structure. We used 1000 ha of multi-temporal lidar data (2008, 2012) at two sites, the Tapajos National Forest and Ducke Reserve, to study gap dynamics in the Brazilian Amazon. Here, we identified dynamic gaps as contiguous areas of significant growth, that correspond to areas > 10 m2, with height gap at Tapajos National Forest (4.8 %) as compared to Ducke Reserve (2.0 %). On average, gaps were smaller at Ducke Reserve and closed slightly more rapidly, with estimated height gains of 1.2 m y-1 versus 1.1 m y-1 at Tapajos. At the Tapajos site, height growth in gap centers was greater than the average height gain in gaps (1.3 m y-1 versus 1.1 m y-1). Rates of height growth between lidar acquisitions reflect the interplay between gap edge mortality, horizontal ingrowth and gap size at the two sites. We estimated that approximately 10 % of gap area closed via horizontal ingrowth at Ducke Reserve as opposed to 6 % at Tapajos National Forest. Height loss (interpreted as repeat damage and/or mortality) and horizontal ingrowth accounted for similar proportions of gap area at Ducke Reserve (13 % and 10 %, respectively). At Tapajos, height loss had a much stronger signal (23 % versus 6 %) within gaps. Both sites demonstrate limited gap contagiousness defined by an
Dynamics of the spatial structure of pulsed discharges in dense gases in point cathode−plane anode gaps and their erosion effect on the plane electrode surface
International Nuclear Information System (INIS)
Baksht, E. Kh.; Blinova, O. M.; Erofeev, M. V.; Karelin, V. I.; Ripenko, V. S.; Tarasenko, V. F.; Trenkin, A. A.; Shibitov, Yu. M.; Shulepov, M. A.
The dynamics of the spatial structure of the plasma of pulsed discharges in air and nitrogen in a nonuniform electric field and their erosion effect on the plane anode surface were studied experimentally. It is established that, at a nanosecond front of the voltage pulse, a diffuse discharge forms in the point cathode–plane anode gap due to the ionization wave propagating from the cathode. As the gap length decreases, the diffuse discharge transforms into a spark. A bright spot on the anode appears during the diffuse discharge, while the spark channel forms in the later discharge stage. The microstructure of autographs of anode spots and spark channels in discharges with durations of several nanoseconds is revealed. The autographs consist of up to 100 and more microcraters 5–100 μm in diameter. It is shown that, due to the short duration of the voltage pulse, a diffuse discharge can be implemented, several pulses of which do not produce appreciable erosion on the plane anode or the soot coating deposited on it.
Modeling Insurgent Network Structure and Dynamics
Gabbay, Michael; Thirkill-Mackelprang, Ashley
We present a methodology for mapping insurgent network structure based on their public rhetoric. Indicators of cooperative links between insurgent groups at both the leadership and rank-and-file levels are used, such as joint policy statements or joint operations claims. In addition, a targeting policy measure is constructed on the basis of insurgent targeting claims. Network diagrams which integrate these measures of insurgent cooperation and ideology are generated for different periods of the Iraqi and Afghan insurgencies. The network diagrams exhibit meaningful changes which track the evolution of the strategic environment faced by insurgent groups. Correlations between targeting policy and network structure indicate that insurgent targeting claims are aimed at establishing a group identity among the spectrum of rank-and-file insurgency supporters. A dynamical systems model of insurgent alliance formation and factionalism is presented which evolves the relationship between insurgent group dyads as a function of their ideological differences and their current relationships. The ability of the model to qualitatively and quantitatively capture insurgent network dynamics observed in the data is discussed.
Structure, entanglements and dynamics of polymer nanocomposites containing spherical nanoparticles
International Nuclear Information System (INIS)
Karatrantos, A; Clarke, N; Composto, R J; Winey, K I
We investigate the effect of nanoparticles on polymer structure, nanoparticle dynamics and topological constraints (entanglements) in polymer melts for nanoparticle loading above percolation threshold as high as 40.9% using stochastic molecular dynamics (MD) simulations. An increase in the number of entanglements (decrease of N e with 40.9% volume fraction of nanoparticles dispersed in the polymer matrix) in the nanocomposites is observed as evidenced by larger contour lengths of the primitive paths. Attraction between polymers and nanoparticles affects the entanglements in the nanocomposites and alters the primitive path. The diffusivity of small sized nanoparticles deviates significantly from the Stokes- Einstein relation
Modeling structural change in spatial system dynamics: A Daisyworld example.
Neuwirth, C; Peck, A; Simonović, S P
System dynamics (SD) is an effective approach for helping reveal the temporal behavior of complex systems. Although there have been recent developments in expanding SD to include systems' spatial dependencies, most applications have been restricted to the simulation of diffusion processes; this is especially true for models on structural change (e.g. LULC modeling). To address this shortcoming, a Python program is proposed to tightly couple SD software to a Geographic Information System (GIS). The approach provides the required capacities for handling bidirectional and synchronized interactions of operations between SD and GIS. In order to illustrate the concept and the techniques proposed for simulating structural changes, a fictitious environment called Daisyworld has been recreated in a spatial system dynamics (SSD) environment. The comparison of spatial and non-spatial simulations emphasizes the importance of considering spatio-temporal feedbacks. Finally, practical applications of structural change models in agriculture and disaster management are proposed.
Nonparametric inference of network structure and dynamics
Peixoto, Tiago P.
The network structure of complex systems determine their function and serve as evidence for the evolutionary mechanisms that lie behind them. Despite considerable effort in recent years, it remains an open challenge to formulate general descriptions of the large-scale structure of network systems, and how to reliably extract such information from data. Although many approaches have been proposed, few methods attempt to gauge the statistical significance of the uncovered structures, and hence the majority cannot reliably separate actual structure from stochastic fluctuations. Due to the sheer size and high-dimensionality of many networks, this represents a major limitation that prevents meaningful interpretations of the results obtained with such nonstatistical methods. In this talk, I will show how these issues can be tackled in a principled and efficient fashion by formulating appropriate generative models of network structure that can have their parameters inferred from data. By employing a Bayesian description of such models, the inference can be performed in a nonparametric fashion, that does not require any a priori knowledge or ad hoc assumptions about the data. I will show how this approach can be used to perform model comparison, and how hierarchical models yield the most appropriate trade-off between model complexity and quality of fit based on the statistical evidence present in the data. I will also show how this general approach can be elegantly extended to networks with edge attributes, that are embedded in latent spaces, and that change in time. The latter is obtained via a fully dynamic generative network model, based on arbitrary-order Markov chains, that can also be inferred in a nonparametric fashion. Throughout the talk I will illustrate the application of the methods with many empirical networks such as the internet at the autonomous systems level, the global airport network, the network of actors and films, social networks, citations among
Structure, dynamics, and function of biomolecules
International Nuclear Information System (INIS)
Frauenfelder, H.; Berendzen, J.R.; Garcia, A.; Gupta, G.; Olah, G.A.; Terwilliger, T.C.; Trewhella, J.; Wood, C.C.; Woodruff, W.H.
This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The authors enhanced Los Alamos' core competency in Bioscience and Biotechnology by building on present strengths in experimental techniques, theory, high-performance computing, modeling, and simulation applied to biomolecular structure, dynamics, and function. Specifically, the authors strengthened their capabilities in neutron/x-ray scattering, x-ray crystallography, NMR, laser, and optical spectroscopies. Initially they focused on supporting the Los alamos Neutron Science Center (LANSCE) in the design and implementation of new neutron scattering instrumentation, they developed new methods for analysis of scattering data, and they developed new projects to study the structures of biomolecular complexes. The authors have also worked to strengthen interactions between theory and experiment, and between the biological and physical sciences. They sponsored regular meetings of members from all interested LANL technical divisions, and supported two lecture series: ''Biology for Physicists'' and ''Issues in Modern Biology''. They also supported the formation of interdisciplinary/inter-divisional teams to develop projects in science-based bioremediation and an integrated structural biology resource. Finally, they successfully worked with a multidisciplinary team to put forward the Laboratory's Genome and Beyond tactical goal
Structure and dynamics of a silica melt in neutral confinement
Geske, Julian; Drossel, Barbara; Vogel, Michael
We analyze the effects of spatial confinement on viscous silica using molecular dynamics simulations. For this purpose, we prepare a silica melt in a cylindrical pore, which is produced by pinning appropriate fractions of silicon and oxygen atoms in a bulk system after an equilibration period. In this way, the structure of the confined silica melt remains unaffected, while the confinement has a strong impact on the dynamics. We find that the structural relaxation of viscous silica is slowed down according to a double exponential law when approaching the pore wall. Moreover, we observe that static density correlations exist in the vicinity of the pore wall. Based on these effects, we determine dynamical and structural length scales of the silica melt. Both length scales show a similar increase upon cooling, with values on the order of the next-neighbor distances in the studied temperature range. Interestingly, we find no evidence that the growth of the length scales is affected by a fragile-to-strong transition of the silica melt. This observation casts serious doubts on the relevance of these length scales for the structural relaxation, at least for the studied glass former.
The effect of the electronic structure, phase transition, and localized dynamics of atoms in the formation of tiny particles of gold
Energy Technology Data Exchange (ETDEWEB)
Ali, Mubarak, E-mail: email@example.com, E-mail: email@example.com [COMSATS Institute of Information Technology, Department of Physics (Pakistan); Lin, I-Nan [Tamkang University, Department of Physics (China)
In addition to self-governing properties, tiny-sized particles of metallic colloids are the building blocks of large-sized particles; thus, their study has been the subject of a large number of publications. In the present work, it has been discussed that geometry structure of tiny particle made through atom-to-atom amalgamation depends on attained dynamics of gold atoms along with protruded orientations. The localized process conditions direct two-dimensional structure of a tiny particle at atomically flat air-solution interface while heating locally dynamically approached atoms, thus, negate the role of van der Waals interactions. At electronphoton-solution interface, impinging electrons stretch or deform atoms of tiny particles depending on the mechanism of impingement. In addition, to strike regular grid of electrons ejected on split of atoms not executing excitations and de-excitations of their electrons, atoms of tiny particles also deform or stretch while occupying various sites depending on the process of synergy. Under suitable impinging electron streams, those tiny particles in monolayer two-dimensional structure electron states of their atoms are diffused in the direction of transferred energy, thus, coincide to the next adjacent atoms in each one-dimensional array dealing the same sort of behavior. Instantaneously, photons of adequate energy propagate on the surfaces of such electronic structures and modify those into smooth elements, thus, disregard the phenomenon of localized surface plasmons. This study highlights the fundamental process of formation of tiny particles where the role of localized dynamics of atoms and their electronic structure along with interaction to light are discussed. Such a tool of processing materials, in nonequilibrium pulse-based process, opens a number of possibilities to develop engineered materials with specific chemical, optical, and electronic properties.
Plasma and current structures in dynamical pinches
International Nuclear Information System (INIS)
Butov, I.Ya.; Matveev, Yu.V.
Dynamics of plasma layers and current structure in aZ-pinch device has been experimentally investigated. It is found that shaping of a main current envelope is ended with its explosion-like expansion, the pinch decaying after compression to separated current filaments. It is also shown that filling of a region outside the pinch with plasma and currents alternating in directions occurs owing to interaction of current loops (inductions) formed in a magnetic piston during its compression with reflected shock wave. Current circulating in the loops sometimes exceeds 1.5-2 times the current of discharge circuit. The phenomena noted appear during development of superheat instability and can be realized, for example, in theta-pinches, plasma focuses, tokamaks. The experiments were carried out at the Dynamic Zeta-pinch device at an energy reserse of up to 15 kJ (V 0 =24 kV) in a capacitor bank. Half-period of the discharge current is 9 μs; Isub(max)=3.5x10sup(5) A. Back current guide surrounding a china chamber of 28 cm diameter and 50 cm length is made in the form of a hollow cylinder. Initial chamber vacuum is 10 -6 torr [ru
Wheat yield dynamics: a structural econometric analysis.
Sahin, Afsin; Akdi, Yilmaz; Arslan, Fahrettin
In this study we initially have tried to explore the wheat situation in Turkey, which has a small-open economy and in the member countries of European Union (EU). We have observed that increasing the wheat yield is fundamental to obtain comparative advantage among countries by depressing domestic prices. Also the changing structure of supporting schemes in Turkey makes it necessary to increase its wheat yield level. For this purpose, we have used available data to determine the dynamics of wheat yield by Ordinary Least Square Regression methods. In order to find out whether there is a linear relationship among these series we have checked each series whether they are integrated at the same order or not. Consequently, we have pointed out that fertilizer usage and precipitation level are substantial inputs for producing high wheat yield. Furthermore, in respect for our model, fertilizer usage affects wheat yield more than precipitation level.
Effects of bursting dynamic features on the generation of multi-clustered structure of neural network with symmetric spike-timing-dependent plasticity learning rule
Energy Technology Data Exchange (ETDEWEB)
Liu, Hui; Song, Yongduan; Xue, Fangzheng; Li, Xiumin, E-mail: firstname.lastname@example.com [Key Laboratory of Dependable Service Computing in Cyber Physical Society of Ministry of Education, Chongqing University, Chongqing 400044 (China); College of Automation, Chongqing University, Chongqing 400044 (China)
In this paper, the generation of multi-clustered structure of self-organized neural network with different neuronal firing patterns, i.e., bursting or spiking, has been investigated. The initially all-to-all-connected spiking neural network or bursting neural network can be self-organized into clustered structure through the symmetric spike-timing-dependent plasticity learning for both bursting and spiking neurons. However, the time consumption of this clustering procedure of the burst-based self-organized neural network (BSON) is much shorter than the spike-based self-organized neural network (SSON). Our results show that the BSON network has more obvious small-world properties, i.e., higher clustering coefficient and smaller shortest path length than the SSON network. Also, the results of larger structure entropy and activity entropy of the BSON network demonstrate that this network has higher topological complexity and dynamical diversity, which benefits for enhancing information transmission of neural circuits. Hence, we conclude that the burst firing can significantly enhance the efficiency of clustering procedure and the emergent clustered structure renders the whole network more synchronous and therefore more sensitive to weak input. This result is further confirmed from its improved performance on stochastic resonance. Therefore, we believe that the multi-clustered neural network which self-organized from the bursting dynamics has high efficiency in information processing.
Effects of bursting dynamic features on the generation of multi-clustered structure of neural network with symmetric spike-timing-dependent plasticity learning rule
International Nuclear Information System (INIS)
Liu, Hui; Song, Yongduan; Xue, Fangzheng; Li, Xiumin
In this paper, the generation of multi-clustered structure of self-organized neural network with different neuronal firing patterns, i.e., bursting or spiking, has been investigated. The initially all-to-all-connected spiking neural network or bursting neural network can be self-organized into clustered structure through the symmetric spike-timing-dependent plasticity learning for both bursting and spiking neurons. However, the time consumption of this clustering procedure of the burst-based self-organized neural network (BSON) is much shorter than the spike-based self-organized neural network (SSON). Our results show that the BSON network has more obvious small-world properties, i.e., higher clustering coefficient and smaller shortest path length than the SSON network. Also, the results of larger structure entropy and activity entropy of the BSON network demonstrate that this network has higher topological complexity and dynamical diversity, which benefits for enhancing information transmission of neural circuits. Hence, we conclude that the burst firing can significantly enhance the efficiency of clustering procedure and the emergent clustered structure renders the whole network more synchronous and therefore more sensitive to weak input. This result is further confirmed from its improved performance on stochastic resonance. Therefore, we believe that the multi-clustered neural network which self-organized from the bursting dynamics has high efficiency in information processing
Dynamic Analysis of Wind Turbines Including Soil-Structure Interaction
DEFF Research Database (Denmark)
Harte, M.; Basu, B.; Nielsen, Søren R.K.
This paper investigates the along-wind forced vibration response of an onshore wind turbine. The study includes the dynamic interaction effects between the foundation and the underlying soil, as softer soils can influence the dynamic response of wind turbines. A Multi-Degree-of-Freedom (MDOF......) horizontal axes onshore wind turbine model is developed for dynamic analysis using an Euler–Lagrangian approach. The model is comprised of a rotor blade system, a nacelle and a flexible tower connected to a foundation system using a substructuring approach. The rotor blade system consists of three rotating...... for displacement of the turbine system are obtained and the modal frequencies of the combined turbine-foundation system are estimated. Simulations are presented for the MDOF turbine structure subjected to wind loading for different soil stiffness conditions. Steady state and turbulent wind loading, developed using...
Indoor footstep localization from structural dynamics instrumentation
Poston, Jeffrey D.; Buehrer, R. Michael; Tarazaga, Pablo A.
Measurements from accelerometers originally deployed to measure a building's structural dynamics can serve a new role: locating individuals moving within a building. Specifically, this paper proposes measurements of footstep-generated vibrations as a novel source of information for localization. The complexity of wave propagation in a building (e.g., dispersion and reflection) limits the utility of existing algorithms designed to locate, for example, the source of sound in a room or radio waves in free space. This paper develops enhancements for arrival time determination and time difference of arrival localization in order to address the complexities posed by wave propagation within a building's structure. Experiments with actual measurements from an instrumented public building demonstrate the potential of locating footsteps to sub-meter accuracy. Furthermore, this paper explains how to forecast performance in other buildings with different sensor configurations. This localization capability holds the potential to assist public safety agencies in building evacuation and incidence response, to facilitate occupancy-based optimization of heating or cooling and to inform facility security.
Annual Report 2000. Chemical Structure and Dynamics; FINAL
International Nuclear Information System (INIS)
Colson, Steve D; McDowell, Rod S
This annual report describes the research and accomplishments of the Chemical Structure and Dynamics Program in the year 2000, one of six research programs at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) - a multidisciplinary, national scientific user facility and research organization. The Chemical Structure and Dynamics (CS and D) program is meeting the need for a fundamental, molecular-level understanding by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes relevant to environmental chemistry; and (3) developing state-of-the-art research and analytical methods for characterizing complex materials of the types found in natural and contaminated systems
Structure-preserving integrators in nonlinear structural dynamics and flexible multibody dynamics
This book focuses on structure-preserving numerical methods for flexible multibody dynamics, including nonlinear elastodynamics and geometrically exact models for beams and shells. It also deals with the newly emerging class of variational integrators as well as Lie-group integrators. It discusses two alternative approaches to the discretization in space of nonlinear beams and shells. Firstly, geometrically exact formulations, which are typically used in the finite element community and, secondly, the absolute nodal coordinate formulation, which is popular in the multibody dynamics community. Concerning the discretization in time, the energy-momentum method and its energy-decaying variants are discussed. It also addresses a number of issues that have arisen in the wake of the structure-preserving discretization in space. Among them are the parameterization of finite rotations, the incorporation of algebraic constraints and the computer implementation of the various numerical methods. The practical application...
Study on Human-structure Dynamic Interaction in Civil Engineering
Gao, Feng; Cao, Li Lin; Li, Xing Hua
The research of human-structure dynamic interaction are reviewed. Firstly, the influence of the crowd load on structural dynamic characteristics is introduced and the advantages and disadvantages of different crowd load models are analyzed. Then, discussing the influence of structural vibration on the human-induced load, especially the influence of different stiffness structures on the crowd load. Finally, questions about human-structure interaction that require further study are presented.
Structure of amorphous GeSe{sub 9} by neutron diffraction and first-principles molecular dynamics: Impact of trajectory sampling and size effects
Energy Technology Data Exchange (ETDEWEB)
Le Roux, Sébastien; Massobrio, Carlo [Institut de Physique et de Chimie des Matériaux de Strasbourg, 23 rue du Loess, BP 43, F-67034 Strasbourg Cedex 2 (France); Bouzid, Assil [Chaire de Simulation à l'Echelle Atomique (CSEA), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Kim, Kye Yeop; Han, Seungwu [Department of Materials Science and Engineering, Seoul National University, Seoul 151-744 (Korea, Republic of); Zeidler, Anita; Salmon, Philip S. [Department of Physics, University of Bath, Bath BA2 7AY (United Kingdom)
The structure of glassy GeSe{sub 9} was investigated by combining neutron diffraction with density-functional-theory-based first-principles molecular dynamics. In the simulations, three different models of N = 260 atoms were prepared by sampling three independent temporal trajectories, and the glass structures were found to be substantially different from those obtained for models in which smaller numbers of atoms or more rapid quench rates were employed. In particular, the overall network structure is based on Se{sub n} chains that are cross-linked by Ge(Se{sub 4}){sub 1/2} tetrahedra, where the latter are predominantly corner as opposed to edge sharing. The occurrence of a substantial proportion of Ge–Se–Se connections does not support a model in which the material is phase separated into Se-rich and GeSe{sub 2}-rich domains. The appearance of a first-sharp diffraction peak in the Bhatia-Thornton concentration-concentration partial structure factor does, however, indicate a non-uniform distribution of the Ge-centered structural motifs on an intermediate length scale.
Nuclear quantum effects on the structure and the dynamics of [H{sub 2}O]{sub 8} at low temperatures
Energy Technology Data Exchange (ETDEWEB)
Videla, Pablo E. [Departamento de Química Inorgánica Analítica y Química-Física e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón II, 1428 Buenos Aires (Argentina); Rossky, Peter J. [Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712-0165 (United States); Laria, D., E-mail: firstname.lastname@example.com [Departamento de Química Inorgánica Analítica y Química-Física e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón II, 1428 Buenos Aires (Argentina); Departamento de Física de la Materia Condensada, Comisión Nacional de Energía Atómica, Avenida Libertador 8250, 1429 Buenos Aires (Argentina)
We use ring-polymer-molecular-dynamics (RPMD) techniques and the semi-empirical q-TIP4P/F water model to investigate the relationship between hydrogen bond connectivity and the characteristics of nuclear position fluctuations, including explicit incorporation of quantum effects, for the energetically low lying isomers of the prototype cluster [H{sub 2}O]{sub 8} at T = 50 K and at 150 K. Our results reveal that tunneling and zero-point energy effects lead to sensible increments in the magnitudes of the fluctuations of intra and intermolecular distances. The degree of proton spatial delocalization is found to map logically with the hydrogen-bond connectivity pattern of the cluster. Dangling hydrogen bonds exhibit the largest extent of spatial delocalization and participate in shorter intramolecular O-H bonds. Combined effects from quantum and polarization fluctuations on the resulting individual dipole moments are also examined. From the dynamical side, we analyze the characteristics of the infrared absorption spectrum. The incorporation of nuclear quantum fluctuations promotes red shifts and sensible broadening relative to the classical profile, bringing the simulation results in much more satisfactory agreement with direct experimental information in the mid and high frequency range of the stretching band. While RPMD predictions overestimate the peak position of the low frequency shoulder, the overall agreement with that reported using an accurate, parameterized, many-body potential is reasonable, and far superior to that one obtains by implementing a partially adiabatic centroid molecular dynamics approach. Quantum effects on the collective dynamics, as reported by instantaneous normal modes, are also discussed.
Simulating CubeSat Structure Deployment Dynamics, Phase I
National Aeronautics and Space Administration — There is high value in simulating the nonlinear dynamics of stowing, deploying, and performance of deployable space structures, especially given the profound...
Structural dynamics in fast reactor accident analysis
International Nuclear Information System (INIS)
Fistedis, S.H.
Analyses and codes are under development combining the hydrodynamics and solid mechanics (and more recently the bubble dynamics) phenomena to gage the stresses, strains, and deformations of important primary components, as well as the overall adequacy of primary and secondary containments. An arbitrary partition of the structural components treated evolves into (1) a core mechanics effort; and (2) a primary system and containment program. The primary system and containment program treats the structural response of components beyond the core, starting with the core barrel. Combined hydrodynamics-solid mechanics codes provide transient stresses and strains and final deformations for components such as the reactor vessel, reactor cover, cover holddown bolts, as well as the pulses for which the primary piping system is to be analyzed. Both, Lagrangian and Eulerian two-dimensional codes are under development, which provide greater accuracy and longer durations for the treatment of HCDA. The codes are being augmented with bubble migration capability pertaining to the latter stages of the HCDA, after slug impact. Recent developments involve the adaptation of the 2-D Eulerian primary system code to the 2-D elastic-plastic treatment of primary piping. Pulses are provided at the vessel-primary piping interfaces of the inlet and outlet nozzles, calculation includes the elbows and pressure drops along the components of the primary piping system. Recent improvements to the primary containment codes include introduction of bending strength in materials, Langrangian mesh regularization techniques, and treatment of energy absorbing materials for the slug impact. Another development involves the combination of a 2-D finite element code for the reactor cover with the hydrodynamic containment code
Dynamical soil-structure interactions: influence of soil behaviour nonlinearities
International Nuclear Information System (INIS)
Gandomzadeh, Ali
The interaction of the soil with the structure has been largely explored the assumption of material and geometrical linearity of the soil. Nevertheless, for moderate or strong seismic events, the maximum shear strain can easily reach the elastic limit of the soil behavior. Considering soil-structure interaction, the nonlinear effects may change the soil stiffness at the base of the structure and therefore energy dissipation into the soil. Consequently, ignoring the nonlinear characteristics of the dynamic soil-structure interaction (DSSI) this phenomenon could lead to erroneous predictions of structural response. The goal of this work is to implement a fully nonlinear constitutive model for soils into a numerical code in order to investigate the effect of soil nonlinearity on dynamic soil structure interaction. Moreover, different issues are taken into account such as the effect of confining stress on the shear modulus of the soil, initial static condition, contact elements in the soil-structure interface, etc. During this work, a simple absorbing layer method based on a Rayleigh/Caughey damping formulation, which is often already available in existing Finite Element softwares, is also presented. The stability conditions of the wave propagation problems are studied and it is shown that the linear and nonlinear behavior are very different when dealing with numerical dispersion. It is shown that the 10 points per wavelength rule, recommended in the literature for the elastic media is not sufficient for the nonlinear case. The implemented model is first numerically verified by comparing the results with other known numerical codes. Afterward, a parametric study is carried out for different types of structures and various soil profiles to characterize nonlinear effects. Different features of the DSSI are compared to the linear case: modification of the amplitude and frequency content of the waves propagated into the soil, fundamental frequency, energy dissipation in
Oxide Interfaces: emergent structure and dynamics
Energy Technology Data Exchange (ETDEWEB)
Clarke, Roy [Univ. of Michigan, Ann Arbor, MI (United States)
This Final Report describes the scientific accomplishments that have been achieved with support from grant DE-FG02-06ER46273 during the period 6/1/2012– 5/31/2016. The overall goals of this program were focused on the behavior of epitaxial oxide heterostructures at atomic length scales (Ångstroms), and correspondingly short time-scales (fs -ns). The results contributed fundamentally to one of the currently most active frontiers in condensed matter physics research, namely to better understand the intricate relationship between charge, lattice, orbital and spin degrees of freedom that are exhibited by complex oxide heterostructures. The findings also contributed towards an important technological goal which was to achieve a better basic understanding of structural and electronic correlations so that the unusual properties of complex oxides can be exploited for energy-critical applications. Specific research directions included: probing the microscopic behavior of epitaxial interfaces and buried layers; novel materials structures that emerge from ionic and electronic reconfiguration at epitaxial interfaces; ultrahigh-resolution mapping of the atomic structure of heterointerfaces using synchrotron-based x-ray surface scattering, including direct methods of phase retrieval; using ultrafast lasers to study the effects of transient strain on coherent manipulation of multi-ferroic order parameters; and investigating structural ordering and relaxation processes in real-time.
Structural Dynamics of Education Reforms and Quality of Primary Education in Uganda
Nyenje, Aida
This paper examines Uganda's recent undertaking to reform her Primary School education System with a focus on the effect of structural dynamics of education reforms and the quality of primary education. Structural dynamics in the context of this study is in reference to the organizational composition of the education system at the government,…
Dynamical structure of linearized GL(4) gravities
International Nuclear Information System (INIS)
Aragone, C.; Restuccia, A.
The physical content of the three more natural models of GL(4) gravity is analyzed, for the case of weak fields. It is shown that the first model is the linearized version of Yang's one-tensor-field gravity and is a scalar-tensor theory, with its scalar part contained in a symmetric tensor. The second and the third linearized models, which can both be derived from the fourth-order action postulated by Yang, are two-tensor decoupled systems. In both cases one of the tensors is the symmetric weak metric gravity tensor field. the second tensor appearing in these two models, representing the GL(4)-gauge field, is either a linearized symmetric affinity (in the second model) or a linearized but nonsymmetric affinity (for the third model). It is shown that in these last two cases the affinity contains a helicity-3 propagating field. Owing to the presence of helicity-3 fields it is shown that it is better to regard Yang's action as an action for a two-tensor system instead of trying to recover from a pure gravity (one-tensor-field) action. Finally, it is shown what is the dynamical structure of the second and third linearized two-tensor models which can be derived from Yang's action. (author)
Flexible joints in structural and multibody dynamics
Directory of Open Access Journals (Sweden)
O. A. Bauchau
Full Text Available Flexible joints, sometimes called bushing elements or force elements, are found in all structural and multibody dynamics codes. In their simplest form, flexible joints simply consist of sets of three linear and three torsional springs placed between two nodes of the model. For infinitesimal deformations, the selection of the lumped spring constants is an easy task, which can be based on a numerical simulation of the joint or on experimental measurements. If the joint undergoes finite deformations, identification of its stiffness characteristics is not so simple, specially if the joint is itself a complex system. When finite deformations occur, the definition of deformation measures becomes a critical issue. This paper proposes a family of tensorial deformation measures suitable for elastic bodies of finite dimension. These families are generated by two parameters that can be used to modify the constitutive behavior of the joint, while maintaining the tensorial nature of the deformation measures. Numerical results demonstrate the objectivity of the deformations measures, a feature that is not shared by the deformations measures presently used in the literature. The impact of the choice of the two parameters on the constitutive behavior of the flexible joint is also investigated.
Age structure and cooperation in coevolutionary games on dynamic network
Qin, Zilong; Hu, Zhenhua; Zhou, Xiaoping; Yi, Jingzhang
Our proposed model imitates the growth of a population and describes the age structure and the level of cooperation in games on dynamic network with continuous changes of structure and topology. The removal of nodes and links caused by age-dependent attack, together with the nodes addition standing for the newborns of population, badly ruins Matthew effect in this coevolutionary process. Though the network is generated by growth and preferential attachment, it degenerates into random network and it is no longer heterogeneous. When the removal of nodes and links is equal to the addition of nodes and links, the size of dynamic network is maintained in steady-state, so is the low level of cooperation. Severe structure variation, homogeneous topology and continuous invasion of new defection jointly make dynamic network unsuitable for the survival of cooperator even when the probability with which the newborn players initially adopt the strategy cooperation is high, while things change slightly when the connections of newborn players are restricted. Fortunately, moderate interactions in a generation trigger an optimal recovering process to encourage cooperation. The model developed in this paper outlines an explanation of the cohesion changes in the development process of an organization. Some suggestions for cooperative behavior improvement are given in the end.
Impact of constrained rewiring on network structure and node dynamics
Rattana, P.; Berthouze, L.; Kiss, I. Z.
In this paper, we study an adaptive spatial network. We consider a susceptible-infected-susceptible (SIS) epidemic on the network, with a link or contact rewiring process constrained by spatial proximity. In particular, we assume that susceptible nodes break links with infected nodes independently of distance and reconnect at random to susceptible nodes available within a given radius. By systematically manipulating this radius we investigate the impact of rewiring on the structure of the network and characteristics of the epidemic. We adopt a step-by-step approach whereby we first study the impact of rewiring on the network structure in the absence of an epidemic, then with nodes assigned a disease status but without disease dynamics, and finally running network and epidemic dynamics simultaneously. In the case of no labeling and no epidemic dynamics, we provide both analytic and semianalytic formulas for the value of clustering achieved in the network. Our results also show that the rewiring radius and the network's initial structure have a pronounced effect on the endemic equilibrium, with increasingly large rewiring radiuses yielding smaller disease prevalence.
Knottin cyclization: impact on structure and dynamics
Directory of Open Access Journals (Sweden)
Gracy Jérôme
Full Text Available Abstract Background Present in various species, the knottins (also referred to as inhibitor cystine knots constitute a group of extremely stable miniproteins with a plethora of biological activities. Owing to their small size and their high stability, knottins are considered as excellent leads or scaffolds in drug design. Two knottin families contain macrocyclic compounds, namely the cyclotides and the squash inhibitors. The cyclotide family nearly exclusively contains head-to-tail cyclized members. On the other hand, the squash family predominantly contains linear members. Head-to-tail cyclization is intuitively expected to improve bioactivities by increasing stability and lowering flexibility as well as sensitivity to proteolytic attack. Results In this paper, we report data on solution structure, thermal stability, and flexibility as inferred from NMR experiments and molecular dynamics simulations of a linear squash inhibitor EETI-II, a circular squash inhibitor MCoTI-II, and a linear analog lin-MCoTI. Strikingly, the head-to-tail linker in cyclic MCoTI-II is by far the most flexible region of all three compounds. Moreover, we show that cyclic and linear squash inhibitors do not display large differences in structure or flexibility in standard conditions, raising the question as to why few squash inhibitors have evolved into cyclic compounds. The simulations revealed however that the cyclization increases resistance to high temperatures by limiting structure unfolding. Conclusion In this work, we show that, in contrast to what could have been intuitively expected, cyclization of squash inhibitors does not provide clear stability or flexibility modification. Overall, our results suggest that, for squash inhibitors in standard conditions, the circularization impact might come from incorporation of an additional loop sequence, that can contribute to the miniprotein specificity and affinity, rather than from an increase in conformational rigidity
Gradient-based optimization in nonlinear structural dynamics
DEFF Research Database (Denmark)
Dou, Suguang
The intrinsic nonlinearity of mechanical structures can give rise to rich nonlinear dynamics. Recently, nonlinear dynamics of micro-mechanical structures have contributed to developing new Micro-Electro-Mechanical Systems (MEMS), for example, atomic force microscope, passive frequency divider......, frequency stabilization, and disk resonator gyroscope. For advanced design of these structures, it is of considerable value to extend current optimization in linear structural dynamics into nonlinear structural dynamics. In this thesis, we present a framework for modelling, analysis, characterization......, and optimization of nonlinear structural dynamics. In the modelling, nonlinear finite elements are used. In the analysis, nonlinear frequency response and nonlinear normal modes are calculated based on a harmonic balance method with higher-order harmonics. In the characterization, nonlinear modal coupling...
Modal analysis application for dynamic characterization of simple structures
International Nuclear Information System (INIS)
Pastorini, A.J.; Belinco, C.G.
The knowledge of the dynamic characteristics of a structure helps to foresee the vibrating behaviour under operating conditions. The modal analysis techniques offer a method to perform the dynamic characterization of a studied structure from the vibration modes of such structure. A hammer provided with a loaded cell to excite a wide frequency band and accelerometer and, on the basis of a measurement of the transfer function at different points, various simple structures were given with a dynamic structures analysis (of the type of Fourier's rapidly transformation) and the results were compared with those obtained by other methods. Different fields where these techniques are applied, are also enumerated. (Author)
Kinetic and structural fragility—a correlation between structures and dynamics in metallic liquids and glasses
International Nuclear Information System (INIS)
Kelton, K F
The liquid phase remains poorly understood. In many cases, the densities of liquids and their crystallized solid phases are similar, but since they are amorphous they lack the spatial order of the solid. Their dynamical properties change remarkably over a very small temperature range. At high temperatures, near their melting temperature, liquids flow easily under shear. However, only a few hundred degrees lower flow effectively ceases, as the liquid transforms into a solid-like glass. This temperature-dependent dynamical behavior is frequently characterized by the concept of kinetic fragility (or, generally, simply fragility). Fragility is believed to be an important quantity in glass formation, making it of significant practical interest. The microscopic origin of fragility remains unclear, however, making it also of fundamental interest. It is widely (although not uniformly) believed that the dynamical behavior is linked to the atomic structure of the liquid, yet experimental studies show that although the viscosity changes by orders of magnitude with temperature, the structural change is barely perceptible. In this article the concept of fragility is discussed, building to a discussion of recent results in metallic glass-forming liquids that demonstrate the presumed connection between structural and dynamical changes. In particular, it becomes possible to define a structural fragility parameter that can be linked with the kinetic fragility. (topical review)
Dynamics and structure of ignition process in plasma. Ignition dynamics and structure of laboratory plasmas
International Nuclear Information System (INIS)
Nagasaki, Kazunobu; Takamura, Shuichi; Razzak, Md. Abdur; Uesugi, Yoshihiko; Yoshimura, Yasuo; Cappa, Alvaro
The dynamics and structure of plasma production are stated by the results of two experiments such as the radio frequency thermal plasmas produced by inductively coupled plasma technique at atmospheric pressure and the second harmonic ECH. The first experiment results explained transition from the electrostatic discharge mode of forming streamer to the induced discharge mode after forming the discharge channel that the streamer connected to in the azimuth direction. The other experiment explained the dynamics which the initial plasma produced at the ECH resonance point spread in the direction of radius. The divergence and transition related to the nonlinear process were observed independently existing the magnetic field or incident power. The experiment devices, conditions, results, and modeling are reported. (S.Y.)
Application of Incremental Dynamic Analysis (IDA Method for Studying the Dynamic Behavior of Structures During Earthquakes
Directory of Open Access Journals (Sweden)
M. Javanpour
Full Text Available Prediction of existing buildings' vulnerability by future earthquakes is one of the most essential topics in structural engineering. Modeling steel structures is a giant step in determining the damage caused by the earthquake, as such structures are increasingly being used in constructions. Hence, two same-order steel structures with two types of structural systems were selected (coaxial moment frames and moment frame. In most cases, a specific structure needs to satisfy several functional levels. For this purpose, a method is required to determine the input request to the structures under possible earthquakes. Therefore, the Incremental Dynamic Analysis (IDA was preferred to the Push-Over non-linear static method for the analysis and design of the considered steel structures, due its accuracy and effect of higher modes at the same time intervals. OpenSees software was used to perform accurate nonlinear analysis of the steel structure. Two parameters (spectral acceleration and maximum ground acceleration were introduced to the modeled frames to compare the numerical correlations of seismic vulnerability obtained by two statistical methods based on the "log-normal distribution" and "logistics distribution", and finally, the parameters of displacement and drift were assessed after analysis.
The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations
Wang, N
The growth and structure of ultrathin amorphous carbon films was investigated by molecular dynamics simulations. The second-generation reactive-empirical-bond-order potential was used to model atomic interactions. Films with different structures were simulated by varying the deposition energy of carbon atoms in the range of 1-120 eV. Intrinsic film characteristics (e.g. density and internal stress) were determined after the system reached equilibrium. Short- and intermediate-range carbon atom ordering is examined in the context of atomic hybridization and ring connectivity simulation results. It is shown that relatively high deposition energy (i.e., 80 eV) yields a multilayer film structure consisting of an intermixing layer, bulk film and surface layer, consistent with the classical subplantation model. The highest film density (3.3 g cm-3), sp3 fraction (∼43%), and intermediate-range carbon atom ordering correspond to a deposition energy of ∼80 eV, which is in good agreement with experimental findings. © 2014 IOP Publishing Ltd.
Dynamic effects in fragmentation reactions
International Nuclear Information System (INIS)
Bertsch, G. F.; Esbensen, H.
Fragmentation reactions offer a useful tool to study the spectroscopy of halo nuclei, but the large extent of the halo wave function makes the reaction theory more difficult. The simple reaction models based on the eikonal approximation for the nuclear interaction or first-order perturbation theory for the Coulomb interaction have systematic errors that they investigate here, comparing to the predictions of complete dynamical calculations. They find that stripping probabilities are underpredicted by the eikonal model, leading to extracted spectroscopy strengths that are two large. In contrast, the Coulomb excitation is overpredicted by the simple theory. They attribute this to a screening effect, as is well known in the Barkas effect on stopping powers. The errors decrease with beam energy as E(sub beam)(sup -1), and are not significant at beam energies above 50 MeV/u. At lower beam energies, the effects should be taken into account when extracting quantitative spectroscopic strengths
Structural dynamic and resistance to nuclear air blast
International Nuclear Information System (INIS)
Qureshi, S.M.
A need exists to design protective shelters attached to specialized facilities against nuclear airbursts, explosive shocks and impacting projectiles. Designing such structures against nuclear and missile impact is a challenging task that needs to be looked into for design methodology formulation and practicability. Structures can be designed for overpressure pulsed generated by a nuclear explosion as well as the scabbing and perforation/punching of an impacting projectile. This paper discuses and formulates the methods of dynamic analysis and design required to undertake such a task. Structural resistance to peak overpressure pulse for a 20 KT weapons and smaller tactical nuclear weapons of 1 KT (16 psi, overpressure) size as a direct air blast overpressure has been considered in design of walls, beams and slabs of a special structure under review. The design of shear reinforcement as lacing is also carried out. Adopting the philosophy of strengthening and hardening can minimize the effect of air blast overpressure and projectile impact. The objective is to avoid a major structural failure. The structure then needs to be checked against ballistic penetration by a range of weapons or be required to resist explosive penetration from the charge detonated in contact with the structure. There is also a dire need to formulate protective guidelines for all existing and future critical facilities. (author)
Dynamical simulation of structural multiplicity in grain boundaries
International Nuclear Information System (INIS)
Majid, I.; Bristowe, P.D.
Work on a computer simulation study of a low-energy high-angle boundary structure which is not periodic have been recently reported. This result is of interest since grain boundary structures are usually assumed to have a periodicity corresponding to the appropriate coincidence site lattice (CSL) and many experimental observations of the structure of grain boundaries performed using conventional and high-resolution electron microscopy, electron diffraction and x-ray diffraction appear to support this work. However, this work, using empirical interatomic pair potentials and the relaxation method of molecular statics, have simulated a Σ = 5 36.87 0 (001) twist boundary and found a low energy structure having a larger repeat cell than the CSL and is composed of two different types of structural unit that are randomly distributed in the boundary plane. This result, which has been termed the multiplicity of grain boundary structures, has also been found in the simulation of tilt boundaries. The multiplicity phenomenon is of special interest in twist boundaries since it is used as a structural model to explain the x-ray scattering from a Σ = 5 boundary in gold. These scattering patterns had previously remained unexplained using stable structures that had simple CSL periodicity. Also, the effect of having a multiple number of low energy structural units coexisting in the grain boundary is of more general interest since it implies that the boundary structures may be quasi-periodic and, in some circumstances, may even result in a roughening of the boundary plane. This paper extends this work by showing, using molecular dynamics, that a multiplicity of structural units can actually nucleate spontaneously in a high-angle grain boundary at finite temperatures
The Response of Simple Polymer Structures Under Dynamic Loading
Proud, William; Ellison, Kay; Yapp, Su; Cole, Cloe; Galimberti, Stefano; Institute of Shock Physics Team
The dynamic response of polymeric materials has been widely studied with the effects of degree of crystallinity, strain rate, temperature and sample size being commonly reported. This study uses a simple PMMA structure, a right cylindrical sample, with structural features such as holes. The features are added an varied in a systematic fashion. Samples were dynamically loaded using a Split Hopkinson Pressure Bar up to failure. The resulting stress-strain curves are presented showing the change in sample response. The strain to failure is shown to increase initially with the presence of holes, while failure stress is relatively unaffected. The fracture patterns seen in the failed samples change, with tensile cracks, Hertzian cones, shear effects being dominant for different holes sizes and geometries. The sample were prepared by laser cutting and checked for residual stress before experiment. The data is used to validate predictive model predictions where material, structure and damage are included.. The Institute of Shock Physics acknowledges the support of Imperial College London and the Atomic Weapons Establishment.
Tropical forest carbon balance: effects of field- and satellite-based mortality regimes on the dynamics and the spatial structure of Central Amazon forest biomass
Di Vittorio, Alan V.; Negrón-Juárez, Robinson I.; Higuchi, Niro; Chambers, Jeffrey Q.
Debate continues over the adequacy of existing field plots to sufficiently capture Amazon forest dynamics to estimate regional forest carbon balance. Tree mortality dynamics are particularly uncertain due to the difficulty of observing large, infrequent disturbances. A recent paper (Chambers et al 2013 Proc. Natl Acad. Sci. 110 3949-54) reported that Central Amazon plots missed 9-17% of tree mortality, and here we address 'why' by elucidating two distinct mortality components: (1) variation in annual landscape-scale average mortality and (2) the frequency distribution of the size of clustered mortality events. Using a stochastic-empirical tree growth model we show that a power law distribution of event size (based on merged plot and satellite data) is required to generate spatial clustering of mortality that is consistent with forest gap observations. We conclude that existing plots do not sufficiently capture losses because their placement, size, and longevity assume spatially random mortality, while mortality is actually distributed among differently sized events (clusters of dead trees) that determine the spatial structure of forest canopies.
Tropical forest carbon balance: effects of field- and satellite-based mortality regimes on the dynamics and the spatial structure of Central Amazon forest biomass
International Nuclear Information System (INIS)
Di Vittorio, Alan V; Negrón-Juárez, Robinson I; Chambers, Jeffrey Q; Higuchi, Niro
Debate continues over the adequacy of existing field plots to sufficiently capture Amazon forest dynamics to estimate regional forest carbon balance. Tree mortality dynamics are particularly uncertain due to the difficulty of observing large, infrequent disturbances. A recent paper (Chambers et al 2013 Proc. Natl Acad. Sci. 110 3949–54) reported that Central Amazon plots missed 9–17% of tree mortality, and here we address 'why' by elucidating two distinct mortality components: (1) variation in annual landscape-scale average mortality and (2) the frequency distribution of the size of clustered mortality events. Using a stochastic-empirical tree growth model we show that a power law distribution of event size (based on merged plot and satellite data) is required to generate spatial clustering of mortality that is consistent with forest gap observations. We conclude that existing plots do not sufficiently capture losses because their placement, size, and longevity assume spatially random mortality, while mortality is actually distributed among differently sized events (clusters of dead trees) that determine the spatial structure of forest canopies. (paper)
Effects of organic versus conventional arable farming on soil structure and organic matter dynamics in a marine loam in the Netherlands
Pulleman, M.M.; Jongmans, A.G.; Marinissen, J.C.Y.; Bouma, J.
We compared the effects of conventional and organic arable farming on soil organic matter (SOM) content, soil structure, aggregate stability and C and N mineralization, which are considered important factors in defining sustainable land management. Within one soil series, three different farming
Effects of spin orbital coupling on atomic and electronic structures in Al{sub 2}Cu and Al{sub 2}Au crystal and liquid phases via ab initio molecular dynamics simulations
Energy Technology Data Exchange (ETDEWEB)
Wang, Y. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Lu, Y.H., E-mail: email@example.com [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Wang, X.D.; Cao, Q.P. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, D.X. [State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310027 (China); Jiang, J.Z., E-mail: email@example.com [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)
Highlights: • The SOC effect affects the cohesion energy of crystal phase. • The effect of SOC was reduced due to random local atomic structures in liquids. • The local geometrical structures also affect the melting points. • Both SOC effect and local atomic structures are important for melting point difference. - Abstract: The origin of different melting points between Al{sub 2}Cu and Al{sub 2}Au has been studied using ab initio molecular dynamics simulations. Cohesive energy, electronic structures and structure information of both crystal and liquid phases have been analyzed. It is found that spin orbital coupling (SOC) plays an important role on the cohesive energy of crystal phase, consistent with the different melting points of these two alloys. Whereas, it seems that SOC has no effect on the formation energy and structure of liquid phase. Possible mechanism of reduced SOC effect at liquid phase is proposed. Our results are helpful to understand the glass formation ability difference between Al{sub 2}Cu and Al{sub 2}Au.
Polyacrylic acids–bovine serum albumin complexation: Structure and dynamics
International Nuclear Information System (INIS)
Othman, Mohamed; Aschi, Adel; Gharbi, Abdelhafidh
The study of the mixture of BSA with polyacrylic acids at different masses versus pH allowed highlighting the existence of two regimes of weak and strong complexation. These complexes were studied in diluted regime concentration, by turbidimetry, dynamic light scattering (DLS), zeta-potential measurements and nuclear magnetic resonance (NMR). We have followed the pH effect on the structure and properties of the complex. This allowed refining the interpretation of the phase diagram and understanding the observed phenomena. The NMR measurements allowed probing the dynamics of the constituents versus the pH. The computational method was used to precisely determine the electrostatic potential of BSA and how the polyelectrolyte binds to it at different pH. - Highlights: • Influence of physico-chemical parameters on the electrostatic interactions in the complex system (polyelectrolyte/protein). • Stabilization and encapsulation of biological macromolecules solution by mean of polyelectrolyte. • Properties and structure of mixture obtained by screening the charges of globular protein and at different masses of polyacrylic acids. • Dynamic of the constituents formed by complexes particles. • Evaluation of the electrostatic properties of bovine serum albumin versus pH through solution of the Poisson-Boltzmann equation.
Structures in dynamics finite dimensional deterministic studies
Broer, HW; van Strien, SJ; Takens, F
The study of non-linear dynamical systems nowadays is an intricate mixture of analysis, geometry, algebra and measure theory and this book takes all aspects into account. Presenting the contents of its authors' graduate courses in non-linear dynamical systems, this volume aims at researchers who wish to be acquainted with the more theoretical and fundamental subjects in non-linear dynamics and is designed to link the popular literature with research papers and monographs. All of the subjects covered in this book are extensively dealt with and presented in a pedagogic
Ergodic Theory, Open Dynamics, and Coherent Structures
Bose, Christopher; Froyland, Gary
This book is comprised of selected research articles developed from a workshop on Ergodic Theory, Probabilistic Methods and Applications, held in April 2012 at the Banff International Research Station. It contains contributions from world leading experts in ergodic theory, dynamical systems, numerical analysis, fluid dynamics, and networks. The volume will serve as a valuable reference for mathematicians, physicists, engineers, physical oceanographers, atmospheric scientists, biologists, and climate scientists, who currently use, or wish to learn how to use, probabilistic techniques to cope with dynamical models that display open, coherent, or non-equilibrium behavior.
Model reduction tools for nonlinear structural dynamics
Slaats, P.M.A.; Jongh, de J.; Sauren, A.A.H.J.
Three mode types are proposed for reducing nonlinear dynamical system equations, resulting from finite element discretizations: tangent modes, modal derivatives, and newly added static modes. Tangent modes are obtained from an eigenvalue problem with a momentary tangent stiffness matrix. Their
4th International Conference on Structural Nonlinear Dynamics and Diagnosis
This book presents contributions on the most active lines of recent advanced research in the field of nonlinear mechanics and physics selected from the 4th International Conference on Structural Nonlinear Dynamics and Diagnosis. It includes fifteen chapters by outstanding scientists, covering various aspects of applications, including road tanker dynamics and stability, simulation of abrasive wear, energy harvesting, modeling and analysis of flexoelectric nanoactuator, periodic Fermi–Pasta–Ulam problems, nonlinear stability in Hamiltonian systems, nonlinear dynamics of rotating composites, nonlinear vibrations of a shallow arch, extreme pulse dynamics in mode-locked lasers, localized structures in a photonic crystal fiber resonator, nonlinear stochastic dynamics, linearization of nonlinear resonances, treatment of a linear delay differential equation, and fractional nonlinear damping. It appeals to a wide range of experts in the field of structural nonlinear dynamics and offers researchers and engineers a...
Complex-Dynamic Cosmology and Emergent World Structure
Kirilyuk, Andrei P.
Universe structure emerges in the unreduced, complex-dynamic interaction process with the simplest initial configuration (two attracting homogeneous fields, quant-ph/9902015). The unreduced interaction analysis gives intrinsically creative cosmology, describing the real, explicitly emerging world structure with dynamic randomness on each scale. Without imposing any postulates or entities, we obtain physically real space, time, elementary particles with their detailed structure and intrinsic p...
Discretization model for nonlinear dynamic analysis of three dimensional structures
International Nuclear Information System (INIS)
Hayashi, Y.
A discretization model for nonlinear dynamic analysis of three dimensional structures is presented. The discretization is achieved through a three dimensional spring-mass system and the dynamic response obtained by direct integration of the equations of motion using central diferences. First the viability of the model is verified through the analysis of homogeneous linear structures and then its performance in the analysis of structures subjected to impulsive or impact loads, taking into account both geometrical and physical nonlinearities is evaluated. (Author) [pt
Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics
Energy Technology Data Exchange (ETDEWEB)
Agniswamy, Johnson; Louis, John M.; Roche, Julien; Harrison, Robert W.; Weber, Irene T. (GSU); (NIH); (Iowa State)
We report structural analysis of HIV protease variant PRS17 which was rationally selected by machine learning to represent wide classes of highly drug-resistant variants. Crystal structures were solved of PRS17 in the inhibitor-free form and in complex with antiviral inhibitor, darunavir. Despite its 17 mutations, PRS17 has only one mutation (V82S) in the inhibitor/substrate binding cavity, yet exhibits high resistance to all clinical inhibitors. PRS17 has none of the major mutations (I47V, I50V, I54ML, L76V and I84V) associated with darunavir resistance, but has 10,000-fold weaker binding affinity relative to the wild type PR. Comparable binding affinity of 8000-fold weaker than PR is seen for drug resistant mutant PR20, which bears 3 mutations associated with major resistance to darunavir (I47V, I54L and I84V). Inhibitor-free PRS17 shows an open flap conformation with a curled tip correlating with G48V flap mutation. NMR studies on inactive PRS17 D25N unambiguously confirm that the flaps adopt mainly an open conformation in solution very similar to that in the inhibitor-free crystal structure. In PRS17, the hinge loop cluster of mutations, E35D, M36I and S37D, contributes to the altered flap dynamics by a mechanism similar to that of PR20. An additional K20R mutation anchors an altered conformation of the hinge loop. Flap mutations M46L and G48V in PRS17/DRV complex alter the Phe53 conformation by steric hindrance between the side chains. Unlike the L10F mutation in PR20, L10I in PRS17 does not break the inter-subunit ion pair or diminish the dimer stability, consistent with a very low dimer dissociation constant comparable to that of wild type PR. Distal mutations A71V, L90M and I93L propagate alterations to the catalytic site of PRS17. PRS17 exhibits a molecular mechanism whereby mutations act synergistically to alter the flap dynamics resulting in significantly weaker binding yet maintaining active site contacts with darunavir.
Modeling the effect of soil structure on water flow and isoproturon dynamics in an agricultural field receiving repeated urban waste compost application.
Filipović, Vilim; Coquet, Yves; Pot, Valérie; Houot, Sabine; Benoit, Pierre
Transport processes in soils are strongly affected by heterogeneity of soil hydraulic properties. Tillage practices and compost amendments can modify soil structure and create heterogeneity at the local scale within agricultural fields. The long-term field experiment QualiAgro (INRA-Veolia partnership 1998-2013) explores the impact of heterogeneity in soil structure created by tillage practices and compost application on transport processes. A modeling study was performed to evaluate how the presence of heterogeneity due to soil tillage and compost application affects water flow and pesticide dynamics in soil during a long-term period. The study was done on a plot receiving a co-compost of green wastes and sewage sludge (SGW) applied once every 2 years since 1998. The plot was cultivated with a biannual rotation of winter wheat-maize (except 1 year of barley) and a four-furrow moldboard plow was used for tillage. In each plot, wick lysimeter outflow and TDR probe data were collected at different depths from 2004, while tensiometer measurements were also conducted during 2007/2008. Isoproturon concentration was measured in lysimeter outflow since 2004. Detailed profile description was used to locate different soil structures in the profile, which was then implemented in the HYDRUS-2D model. Four zones were identified in the plowed layer: compacted clods with no visible macropores (Δ), non-compacted soil with visible macroporosity (Γ), interfurrows created by moldboard plowing containing crop residues and applied compost (IF), and the plow pan (PP) created by plowing repeatedly to the same depth. Isoproturon retention and degradation parameters were estimated from laboratory batch sorption and incubation experiments, respectively, for each structure independently. Water retention parameters were estimated from pressure plate laboratory measurements and hydraulic conductivity parameters were obtained from field tension infiltrometer experiments. Soil hydraulic
Frequency response function-based explicit framework for dynamic identification in human-structure systems
Wei, Xiaojun; Živanović, Stana
The aim of this paper is to propose a novel theoretical framework for dynamic identification in a structure occupied by a single human. The framework enables the prediction of the dynamics of the human-structure system from the known properties of the individual system components, the identification of human body dynamics from the known dynamics of the empty structure and the human-structure system and the identification of the properties of the structure from the known dynamics of the human and the human-structure system. The novelty of the proposed framework is the provision of closed-form solutions in terms of frequency response functions obtained by curve fitting measured data. The advantages of the framework over existing methods are that there is neither need for nonlinear optimisation nor need for spatial/modal models of the empty structure and the human-structure system. In addition, the second-order perturbation method is employed to quantify the effect of uncertainties in human body dynamics on the dynamic identification of the empty structure and the human-structure system. The explicit formulation makes the method computationally efficient and straightforward to use. A series of numerical examples and experiments are provided to illustrate the working of the method.
A Comparative Study on Optimal Structural Dynamics Using Wavelet Functions
Directory of Open Access Journals (Sweden)
Seyed Hossein Mahdavi
Full Text Available Wavelet solution techniques have become the focus of interest among researchers in different disciplines of science and technology. In this paper, implementation of two different wavelet basis functions has been comparatively considered for dynamic analysis of structures. For this aim, computational technique is developed by using free scale of simple Haar wavelet, initially. Later, complex and continuous Chebyshev wavelet basis functions are presented to improve the time history analysis of structures. Free-scaled Chebyshev coefficient matrix and operation of integration are derived to directly approximate displacements of the corresponding system. In addition, stability of responses has been investigated for the proposed algorithm of discrete Haar wavelet compared against continuous Chebyshev wavelet. To demonstrate the validity of the wavelet-based algorithms, aforesaid schemes have been extended to the linear and nonlinear structural dynamics. The effectiveness of free-scaled Chebyshev wavelet has been compared with simple Haar wavelet and two common integration methods. It is deduced that either indirect method proposed for discrete Haar wavelet or direct approach for continuous Chebyshev wavelet is unconditionally stable. Finally, it is concluded that numerical solution is highly benefited by the least computation time involved and high accuracy of response, particularly using low scale of complex Chebyshev wavelet.
Nonlinear dynamic analysis of hydrodynamically-coupled stainless steel structures
International Nuclear Information System (INIS)
Zhao, Y.
Spent nuclear fuel is usually stored temporarily on the site of nuclear power plants. The spent fuel storage racks are nuclear-safety-related stainless steel structures required to be analyzed for seismic loads. When the storage pool is subjected to three-dimensional (3-D) floor seismic excitations, rack modules, stored fuel bundles, adjacent racks and pool walls, and surrounding water are hydrodynamically coupled. Hydrodynamic coupling (HC) significantly affects the dynamic responses of the racks that are free-standing and submerged in water within the pool. A nonlinear time-history dynamic analysis is usually needed to describe the motion behavior of the racks that are both geometrically nonlinear and material nonlinear in nature. The nonlinearities include the friction resistance between the rack supporting legs and the pool floor, and various potential impacts of fuel-rack, rack-rack, and rack-pool wall. The HC induced should be included in the nonlinear dynamic analysis using the added-hydrodynamic-mass concept based on potential theory per the US Nuclear Regulatory Commission (USNRC) acceptance criteria. To this end, a finite element analysis constitutes a feasible and effective tool. However, most people perform somewhat simplified 1-D, or 2-D, or 3-D single rack and 2-D multiple rack analyses. These analyses are incomplete because a 3-D single rack model behaves quite differently from a 2-D mode. Furthermore, a 3-D whole pool multi-rack model behaves differently than a 3-D single rack model, especially when the strong HC effects are unsymmetrical. In this paper 3-D nonlinear dynamic time-history analyses were performed in a more quantitative manner using sophisticated finite element models developed for a single rack as well as all twelve racks in the whole-pool. Typical response results due to different HC effects are determined and discussed
Dynamical load factor of impact loaded shell structures
International Nuclear Information System (INIS)
Hammel, J.
Dynamical loaded structures can be analysed by spectral representations, which usually lead to an enormous computational effort. If it is possible to find a fitting dynamical load factor, the dynamical problem can be reduced to a statical one. The computation of this statical problem is much simpler. The disadvantage is that the dynamical load factor usually leads to a very rough approximation. In this paper it will be shown, that by combination of these two methods, the approximation of the dynamical load factor can be improved and the consumption of computation time can be enormously reduced. (Auth.)
Fundamental structures of dynamic social networks
DEFF Research Database (Denmark)
Sekara, Vedran; Stopczynski, Arkadiusz; Jørgensen, Sune Lehmann
Social systems are in a constant state of flux, with dynamics spanning from minute-by-minute changes to patterns present on the timescale of years. Accurate models of social dynamics are important for understanding the spreading of influence or diseases, formation of friendships...... and their interactions in the network of real-world person-to-person proximity measured via Bluetooth, as well as their telecommunication networks, online social media contacts, geolocation, and demographic data. These high-resolution data allow us to observe social groups directly, rendering community detection......, and the productivity of teams. Although there has been much progress on understanding complex networks over the past decade, little is known about the regularities governing the microdynamics of social networks. Here, we explore the dynamic social network of a densely-connected population of ∼1,000 individuals...
Directory of Open Access Journals (Sweden)
Dumitru CONSTANTINESCU
Full Text Available The relationships organization-suppliers-customers have recently known major changes in the structure of services and have made the organization develop its managerial and professional competencies in order to do projects. The qualified organization is the most trust-worthy in the process of doing a project. The participation of an organization in doing projects depends on a multitude of factors. Out of these factors, the structural organization comes forth, as it represents the variable with the most important impact on a project's quality, costs and lead time. From the organizational point of view, the matrix structure is frequently chosen for projects. The matrix structure generally coexists with the line structure. The two structures are contrastive. The line structure is based on the unity of command principle and is not open to cooperation and dialogue. The matrix structure encourages cooperation and communication, favours conflict, which is considered here a healthy and essential process. The matrix structure and the line structure claim their right to initiative. Conflict and the multidimensional integration of multiple hierarchies can be negotiated through the concept charisma – mediation, sustained by the matrix structure.
Nonlinear structural mechanics theory, dynamical phenomena and modeling
Lacarbonara, Walter
Nonlinear Structural Mechanics: Theory, Dynamical Phenomena and Modeling offers a concise, coherent presentation of the theoretical framework of nonlinear structural mechanics, computational methods, applications, parametric investigations of nonlinear phenomena and their mechanical interpretation towards design. The theoretical and computational tools that enable the formulation, solution, and interpretation of nonlinear structures are presented in a systematic fashion so as to gradually attain an increasing level of complexity of structural behaviors, under the prevailing assumptions on the geometry of deformation, the constitutive aspects and the loading scenarios. Readers will find a treatment of the foundations of nonlinear structural mechanics towards advanced reduced models, unified with modern computational tools in the framework of the prominent nonlinear structural dynamic phenomena while tackling both the mathematical and applied sciences. Nonlinear Structural Mechanics: Theory, Dynamical Phenomena...
Realistic Features in Analysing the Effect of the Seismic Motion upon Localized Structures Considering Base Isolation Influence on Their Dynamic Behaviour
Apostol, Bogdan Felix; Florin Balan, Stefan; Ionescu, Constantin
The effects of the earthquakes on buildings and the concept of seismic base isolation are investigated by using the model of the vibrating bar embedded at one end. The normal modes and the eigenfrequencies of the bar are highlighted and the amplification of the response due to the excitation of the normal modes (eigenmodes) is computed. The effect is much enhanced at resonance, for oscillating shocks which contain eigenfrequencies of the bar. Also, the response of two linearly joined bars with one end embedded is calculated. It is shown that for very different elastic properties the eigenfrequencies are due mainly to the "softer" bar. The effect of the base isolation in seismic structural engineering is assessed by formulating the model of coupled harmonic oscillators, as a simplified model for the structure building-foundation viewed as two coupled vibrating bars. The coupling decreases the lower eigenfrequencies of the structure and increases the higher ones. Similar amplification factors are derived for coupled oscillators at resonance with an oscillating shock.
Dynamic Capital Structure: Dynamics, Determinants and Speed of Adjustment
Tamirat, A.S.; Trujillo Barrera, A.A.; Pennings, J.M.E.
The corporate finance literature has focused on explaining the determinants of firms target capital structure and speed of adjustment using the well-established theories such as pecking order, signaling and trade-off theories. However, less attention has been paid to understanding the financing
Structure and dynamics of weakly bound complexes
International Nuclear Information System (INIS)
Skouteris, D.
The present thesis deals with the spectroscopic and theoretical investigation of weakly bound complexes involving a methane molecule. Studies of these Van der Waals complexes can give valuable information on the relevant intermolecular dynamics and promote the understanding of the interactions between molecules (which can ultimately lead to chemical reactions). Especially interesting are complexes involving molecules of high symmetry (e.g. tetrahedral, such as methane) because of the unusual effects arising from it (selection rules, nuclear Spin statistical weights etc.). The infrared spectrum of the Van der Waals complex between a CH 4 and a N 2 O molecule has been recorded and most of it has been assigned in the region of the N - O stretch (approximately 2225.0 cm -1 ). Despite the fact that this is really a weakly bound complex, it is nevertheless rigid enough so that the standard model for asymmetric top spectra can be applied to it with the usual quantum numbers. From the value of the inertial defect, it turns out that the methane unit is locked in a rigid configuration within the complex rather than freely rotating. The intermolecular distance as well as the tilting angle of the N 2 O linear unit are determined from the rotational constants. The complex itself turns out to have a T - shaped configuration. The infrared spectrum of the Ar - CH 4 complex at the ν 4 (bending) band of methane is also assigned. This is different from the previous one in that the methane unit rotates almost freely Within the complex. As a result, the quantum numbers used to classify rovibrational energy levels include these of the free unit. The concept of 'overall symmetry' is made use of to rationalise selection rules in various sub-bands of the spectrum. Moreover, new terms in the potential anisotropy Hamiltonian are calculated through the use of the overall symmetry concept. These are termed 'mixed anisotropy' terms since they involve both rotational and vibrational degrees of
Effects of mobility on ordering dynamics
International Nuclear Information System (INIS)
Baronchelli, Andrea; Pastor-Satorras, Romualdo
Models of ordering dynamics allow us to understand natural systems in which an initially disordered population homogenizes some traits via local interactions. The simplest of these models, with wide applications ranging from evolutionary to social dynamics, are the Voter and Moran processes, usually defined in terms of static or randomly mixed individuals that interact with a neighbor to copy or modify a discrete trait. Here we study the effects of diffusion in Voter/Moran processes by proposing a generalization of ordering dynamics in a metapopulation framework, in which individuals are endowed with mobility and diffuse through a spatial structure represented as a graph of patches upon which interactions take place. We show that diffusion dramatically affects the time to reach the homogeneous state, independently of the underlying network's topology, while the final consensus emerges through different local/global mechanisms, depending on the mobility strength. Our results highlight the crucial role played by mobility in ordering processes and set up a general framework that allows its effect to be studied on a large class of models, with implications in the understanding of evolutionary and social phenomena. (letter)
Organoactinide chemistry: synthesis, structure, and solution dynamics
International Nuclear Information System (INIS)
Brennan, J.G.
This thesis considers three aspects of organoactinide chemistry. In chapter one, a bidentate phosphine ligand was used to kinetically stabilize complexes of the type Cp 2 MX 2 . Ligand redistribution processes are present throughout the synthetic work, as has often been observed in uranium cyclopentadienyl chemistry. The effects of covalent M-L bonding on the solution and solid state properties of U(III) coordination complexes are considered. In particular, the nature of the more subtle interaction between the metal and the neutral ligand are examined. Using relative basicity data obtained in solution, and solid state structural data (and supplemented by gas phase photoelectron measurements), it is demonstrated that the more electron rich U(III) centers engage in significant U → L π-donation. Trivalent uranium is shown to be capable of acting either as a one- or two-electron reducing agent toward a wide variety of unsaturated organic and inorganic molecules, generating molecular classes unobtainable via traditional synthetic approaches, as well as offering an alternative synthetic approach to molecules accessible via metathesis reactions. Ligand redistribution processes are again observed, but given the information concerning ligand lability, this reactivity pattern is applied to the synthesis of pure materials inaccessible from redox chemistry. 214 refs., 33 figs., 10 tabs
Friends and foes : The dynamics of dual social structures
Sytch, M.; Tatarynowicz, A.
This paper investigates the evolutionary dynamics of a dual social structure encompassing collaboration and conflict among corporate actors. We apply and advance structural balance theory to examine the formation of balanced and unbalanced dyadic and triadic structures, and to explore how these
DSIbin : Identifying dynamic data structures in C/C++ binaries
Rupprecht, Thomas; Chen, Xi; White, David H.; Boockmann, Jan H.; Luttgen, Gerald; Bos, Herbert
Reverse engineering binary code is notoriously difficult and, especially, understanding a binary's dynamic data structures. Existing data structure analyzers are limited wrt. program comprehension: they do not detect complex structures such as skip lists, or lists running through nodes of different
Dynamic fracture toughness testing of structural steels
International Nuclear Information System (INIS)
Debel, C.P.
Two candidate test methods aimed at producing materials properties of interest in connection with crack arrest assessments are currently under evaluation. These methods and the significance of the results are described. The quasi-static as well as the dynamic fracture toughness of a plain C-Mn steel in the as-quenched and tempered condition have been examined at temperatures between -115 0 C and the ambient temperature. Wedge-loaded duplex DCB-specimens were used in dynamic tests. The crack extension velocity was measured using a surface deposited grid and a registration circuit based on TTL-electronics. The toughness transition-temperature at quasi-static loading rate is found to be low; but during dynamic crack-extension a substantial shift of the transition-region to higher temperatures is produced, and fast fracture was obtained even at ambient temperature. Even though the dynamic fracture toughness Ksub(ID) increases with temperature, it decreases with increasing crack-extension velocity at a given temperature and the rate of decrease with respect to crack-extension velocity seems to be independent of temperature. Ksub(ID) appears to be insensitive to heat treatments. Test results indicate insufficient load-train stiffness, and problems due to crack branching were encountered. (author)
Structural phase transition and dynamical properties of PbTiO3 simulated by molecular dynamics
International Nuclear Information System (INIS)
Costa, S C; Pizani, P S; Rino, J P; Borges, D S
The temperature- and pressure-induced structural phase transition in PbTiO 3 is studied with the isoenthalpic-isobaric molecular-dynamics method, using an effective two-body interaction potential. The tetragonal to cubic transformation is successfully reproduced with both temperature and pressure. The behaviour of lattice parameters, vibrational density of states, and phonon anharmonicity with temperature and pressure are in very good agreement with experimental data. Two- and three-body correlations were analysed through pair distribution functions, coordination numbers and bond-angle distributions
Structure, Dynamics, and Phase Behavior of DOPC/DSPC Mixture Membrane Systems: Molecular Dynamics Simulation Studies
Energy Technology Data Exchange (ETDEWEB)
Kim, Seonghan; Chang, Rakwoo [Kwangwoon University, Seoul (Korea, Republic of)
Full atomistic molecular dynamics simulations have been performed for model mixture bilayer membrane systems consisting of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) phospholipids to understand the effects of two essential parameters such as lipid composition and temperature on the structural, dynamical, and phase behavior of mixture membrane systems. Although pure DSPC membranes are in the gel-like (L{sub β}' or P{sub β}') phase at 323 K, raising the temperature by only 10 K or replacing 20% of DSPC lipids by DOPC lipids can change the gel-like phase into the completely liquid-crystalline phase (L{sub α}). This phase change is accompanied by dramatic change in both structural properties such as area per lipid, membrane thickness, deuterium order parameter, and tail angle distribution, and dynamics properties such as mobility map. We also observe that the full width at half-maximum (FWHM) data of tail angle distribution as well as area per lipid (or membrane thickness)can be used as order parameters for the membrane phase transition.
Structure, Dynamics, and Phase Behavior of DOPC/DSPC Mixture Membrane Systems: Molecular Dynamics Simulation Studies
International Nuclear Information System (INIS)
Kim, Seonghan; Chang, Rakwoo
Full atomistic molecular dynamics simulations have been performed for model mixture bilayer membrane systems consisting of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) phospholipids to understand the effects of two essential parameters such as lipid composition and temperature on the structural, dynamical, and phase behavior of mixture membrane systems. Although pure DSPC membranes are in the gel-like (L_β' or P_β') phase at 323 K, raising the temperature by only 10 K or replacing 20% of DSPC lipids by DOPC lipids can change the gel-like phase into the completely liquid-crystalline phase (L_α). This phase change is accompanied by dramatic change in both structural properties such as area per lipid, membrane thickness, deuterium order parameter, and tail angle distribution, and dynamics properties such as mobility map. We also observe that the full width at half-maximum (FWHM) data of tail angle distribution as well as area per lipid (or membrane thickness)can be used as order parameters for the membrane phase transition.
The Dynamic Similitude Design Method of Thin Walled Structures and Experimental Validation
Directory of Open Access Journals (Sweden)
Zhong Luo
Full Text Available For the applicability of dynamic similitude models of thin walled structures, such as engine blades, turbine discs, and cylindrical shells, the dynamic similitude design of typical thin walled structures is investigated. The governing equation of typical thin walled structures is firstly unified, which guides to establishing dynamic scaling laws of typical thin walled structures. Based on the governing equation, geometrically complete scaling law of the typical thin walled structure is derived. In order to determine accurate distorted scaling laws of typical thin walled structures, three principles are proposed and theoretically proved by combining the sensitivity analysis and governing equation. Taking the thin walled annular plate as an example, geometrically complete and distorted scaling laws can be obtained based on the principles of determining dynamic scaling laws. Furthermore, the previous five orders' accurate distorted scaling laws of thin walled annular plates are presented and numerically validated. Finally, the effectiveness of the similitude design method is validated by experimental annular plates.
Invariant molecular-dynamics approach to structural phase transitions
International Nuclear Information System (INIS)
Wentzcovitch, R.M.
Two fictitious Lagrangians to be used in molecular-dynamics simulations with variable cell shape and suitable to study problems like structural phase transitions are introduced. Because they are invariant with respect to the choice of the simulation cell edges and eliminate symmetry breaking associated with the fictitious part of the dynamics, they improve the physical content of numerical simulations that up to now have been done by using Parrinello-Rahman dynamics
Quantifying and modeling soil structure dynamics
Characterization of soil structure has been a topic of scientific discussions ever since soil structure has been recognized as an important factor affecting soil physical, mechanical, chemical, and biological processes. Beyond semi-quantitative soil morphology classes, it is a challenge to describe ...
From Dynamic Condition Response Structures to Büchi Automata
DEFF Research Database (Denmark)
Mukkamala, Raghava Rao; Hildebrandt, Thomas
Recently we have presented distributed dynamic condition response structures (DCR structures) as a declarative process model conservatively generalizing labelled event structures to allow for finite specifications of repeated, possibly infinite behavior. The key ideas are to split the causality...... relation of event structures in two dual relations: the condition relation and the response relation, to split the conflict relation in two relations: the dynamic exclusion and dynamic inclusion, and finally to allow configurations to be multi sets of events. In the present abstract we recall the model...... and show how to characterise the execution of DCR structures and the acceptance condition for infinite runs by giving a map to Bu ̈chi-automata. This is the first step towards automatic verification of processes specified as DCR structures....
Dynamical community structure of populations evolving on genotype networks
International Nuclear Information System (INIS)
Capitán, José A.; Aguirre, Jacobo; Manrubia, Susanna
Neutral evolutionary dynamics of replicators occurs on large and heterogeneous networks of genotypes. These networks, formed by all genotypes that yield the same phenotype, have a complex architecture that conditions the molecular composition of populations and their movements on genome spaces. Here we consider as an example the case of populations evolving on RNA secondary structure neutral networks and study the community structure of the network revealed through dynamical properties of the population at equilibrium and during adaptive transients. We unveil a rich hierarchical community structure that, eventually, can be traced back to the non-trivial relationship between RNA secondary structure and sequence composition. We demonstrate that usual measures of modularity that only take into account the static, topological structure of networks, cannot identify the community structure disclosed by population dynamics
Electrostatic cloaking of surface structure for dynamic wetting
Shiomi, Junichiro; Nita, Satoshi; Do-Quang, Minh; Wang, Jiayu; Chen, Yu-Chung; Suzuki, Yuji; Amberg, Gustav
Dynamic wetting problems are fundamental to the understanding of the interaction between liquids and solids. Even in a superficially simple experimental situation, such as a droplet spreading over a dry surface, the result may depend not only on the liquid properties but also strongly on the substrate-surface properties; even for macroscopically smooth surfaces, the microscopic geometrical roughness can be important. In addition, as surfaces may often be naturally charged, or electric fields are used to manipulate fluids, electric effects are crucial components that influence wetting phenomena. Here we investigate the interplay between electric forces and surface structures in dynamic wetting. While surface microstructures can significantly hinder the spreading, we find that the electrostatics can ``cloak'' the microstructures, i.e. deactivate the hindering. We identify the physics in terms of reduction in contact-line friction, which makes the dynamic wetting inertial force dominant and insensitive to the substrate properties. This work was financially supported in part by, the Japan Society for the Promotion of Science, Swedish Governmental Agency for Innovation Systems, and the Japan Science and Technology Agency.
Dynamic analysis of CHASNUPP steam generator structure during shipping
International Nuclear Information System (INIS)
Han Liangbi; Xu Jinkang; Zhou Meiwu; He Yinbiao
The dynamic analysis of CHASNUPP steam generator during shipping is described, including the simplified mathematical model, acceleration power spectrum of ocean wave induced random vibration, the dynamic analysis of steam generator structure under random loading, the applied computer code and calculated results
Crystal structure and pair potentials: A molecular-dynamics study
Energy Technology Data Exchange (ETDEWEB)
Parrinello, M.; Rahman, A.
With use of a Lagrangian which allows for the variation of the shape and size of the periodically repeating molecular-dynamics cell, it is shown that different pair potentials lead to different crystal structures.
Simulation of Protein Structure, Dynamics and Function in Organic Media
National Research Council Canada - National Science Library
Daggett, Valerie
The overall goal of our ONR-sponsored research is to pursue realistic molecular modeling strudies pertinnent to the related properties of protein stability, dynamics, structure, function, and folding in aqueous solution...
Parallel processing for nonlinear dynamics simulations of structures including rotating bladed-disk assemblies
Hsieh, Shang-Hsien
The principal objective of this research is to develop, test, and implement coarse-grained, parallel-processing strategies for nonlinear dynamic simulations of practical structural problems. There are contributions to four main areas: finite element modeling and analysis of rotational dynamics, numerical algorithms for parallel nonlinear solutions, automatic partitioning techniques to effect load-balancing among processors, and an integrated parallel analysis system.
Effects of dynamical quarks in UKQCD simulations
International Nuclear Information System (INIS)
Allton, Chris
Recent results from the UKQCD Collaboration's dynamical simulations are presented. The main feature of these ensembles is that they have a fixed lattice spacing and volume, but varying sea quark mass from infinite (corresponding to the quenched simulation) down to roughly that of the strange quark mass. The main aim of this work is to uncover dynamical quark effects from these 'matched' ensembles. We obtain some evidence of dynamical quark effects in the static quark potential with less effects in the hadronic spectrum
Past and future trends in structures and dynamics
International Nuclear Information System (INIS)
Bader, R.M.; Goesch, W.H.; Olsen, J.J.
An historical review and a series of prognostications based on current developments are presented for the fields of structural design and structural dynamics analysis. It is shown that while weight and cost reduction and improved durability have been the primary forces in structural technology development in the past, emphasis has shifted to such things as productivity, quality assurance, low observables for military aircraft and increased fuel efficiency. Prominent among recent advances in future developments are damage tolerance durability, computer-aided design, active flutter suppression, adhesive bonding of primary structures, cast aluminum structures, titanium and graphite-epoxy primary aircraft structures, aeroelastic tailoring composites, metal matrix composites, and radar-absorbing structures
Dynamical Structure of a Traditional Amazonian Social Network
Directory of Open Access Journals (Sweden)
Paul L. Hooper
Full Text Available Reciprocity is a vital feature of social networks, but relatively little is known about its temporal structure or the mechanisms underlying its persistence in real world behavior. In pursuit of these two questions, we study the stationary and dynamical signals of reciprocity in a network of manioc beer (Spanish: chicha; Tsimane': shocdye' drinking events in a Tsimane' village in lowland Bolivia. At the stationary level, our analysis reveals that social exchange within the community is heterogeneously patterned according to kinship and spatial proximity. A positive relationship between the frequencies at which two families host each other, controlling for kinship and proximity, provides evidence for stationary reciprocity. Our analysis of the dynamical structure of this network presents a novel method for the study of conditional, or non-stationary, reciprocity effects. We find evidence that short-timescale reciprocity (within three days is present among non- and distant-kin pairs; conversely, we find that levels of cooperation among close kin can be accounted for on the stationary hypothesis alone.
Structure and dynamics of basin forested wetlands in North America
International Nuclear Information System (INIS)
Brown, S.
Freshwater basin wetlands are found in depressions of various depths, generally in areas where precipitation exceeds evapotranspiration or where the depression intersects the water table creating groundwater seeps or springs. Forested basins are those that contain woody vegetation with the potential for reaching tree stature; they do not include woody shrub wetlands. In North America these areas are mainly in the central and eastern region. Pertinent information and reviews on the distribution, floristic composition, structure and dynamics of basin forested wetlands are summarized. The major emphasis is on freshwater wetlands, but data for saltwater wetlands mainly from Florida and tropical America are included. The external factors affecting basin wetlands or the important components of a wetlands energy signature are described as well as the distribution and floristic composition of representative basin wetlands. Sections on structural characteristics, organic matter dynamics, and nutrient cycling comprise the bulk of quantitative information. The effects of disturbances, both natural and human induced, with varying degrees of impact depending upon the intensity and on the part of the ecosystem to which the stressor is applied are evaluated. Examples of stressors in basin wetlands include water impoundment, water diversion, thermal stress from hot water, sedimentation, addition of toxic substances, addition of wastewater, oil spills, and harvesting. 86 refs., 5 figs., 11 tabs
Challenges in parameter identification of large structural dynamic systems
International Nuclear Information System (INIS)
Koh, C.G.
In theory, it is possible to determine the parameters of a structural or mechanical system by subjecting it to some dynamic excitation and measuring the response. Considerable research has been carried out in this subject area known as the system identification over the past two decades. Nevertheless, the challenges associated with numerical convergence are still formidable when the system is large in terms of the number of degrees of freedom and number of unknowns. While many methods work for small systems, the convergence becomes difficult, if not impossible, for large systems. In this keynote lecture, both classical and non-classical system identification methods for dynamic testing and vibration-based inspection are discussed. For classical methods, the extended Kalman filter (EKF) approach is used. On this basis, a substructural identification method has been developed as a strategy to deal with large structural systems. This is achieved by reducing the problem size, thereby significantly improving the numerical convergence and efficiency. Two versions of this method are presented each with its own merits. A numerical example of frame structure with 20 unknown parameters is illustrated. For non-classical methods, the Genetic Algorithm (GA) is shown to be applicable with relative ease due to its 'forward analysis' nature. The computational time is, however, still enormous for large structural systems due to the combinatorial explosion problem. A model GA method has been developed to address this problem and tested with considerable success on a relatively large system of 50 degrees of freedom, accounting for input and output noise effects. An advantages of this GA-based identification method is that the objective function can be defined in response measured. Numerical studies show that the method is relatively robust, as it does in response measured. Numerical studies show that the method is relatively robust, as it dos not require good initial guess and the
Allee effects on population dynamics with delay
International Nuclear Information System (INIS)
Celik, C.; Merdan, H.; Duman, O.; Akin, O.
In this paper, we study the stability analysis of equilibrium points of population dynamics with delay when the Allee effect occurs at low population density. Mainly, our mathematical results and numerical simulations point to the stabilizing effect of the Allee effects on population dynamics with delay
Dumitru CONSTANTINESCU
The relationships organization-suppliers-customers have recently known major changes in the structure of services and have made the organization develop its managerial and professional competencies in order to do projects. The qualified organization is the most trust-worthy in the process of doing a project. The participation of an organization in doing projects depends on a multitude of factors. Out of these factors, the structural organization comes forth, as it represents the variable with...
Structuring Effective Student Teams.
Dickson, Ellen L.
Experience with student teams working on policy analysis projects indicates the need for faculty supervision of teams in the process of addressing complex issues. The problem-solving approach adopted in one policy analysis course is described, including assignments and tasks, issues and sponsors, team dynamics, conflict management, and the…
Effect of noise on fractal structure
Energy Technology Data Exchange (ETDEWEB)
Serletis, Demitre [Division of Neurosurgery, Hospital for Sick Children, 1504-555 University Avenue, Toronto, Ont., M5G 1X8 (Canada)], E-mail: email@example.com
In this paper, I investigate the effect of dynamical noise on the estimation of the Hurst exponent and the fractal dimension of time series. Recently, Serletis et al. [Serletis, Apostolos, Asghar Shahmoradi, Demitre Serletis. Effect of noise on estimation of Lyapunov exponents from a time series. Chaos, Solitons and Fractals, forthcoming] have shown that dynamical noise can make the detection of chaotic dynamics very difficult, and Serletis et al. [Serletis, Apostolos, Asghar Shahmoradi, Demitre Serletis. Effect of noise on the bifurcation behavior of dynamical systems. Chaos, Solitons and Fractals, forthcoming] have shown that dynamical noise can also shift bifurcation points and produce noise-induced transitions, making the determination of bifurcation boundaries difficult. Here I apply the detrending moving average (DMA) method, recently developed by Alessio et al. [Alessio E, Carbone A, Castelli G, Frappietro V. Second-order moving average and scaling of stochastic time series. The Eur Phys J B 2002;27:197-200] and Carbone et al. [Carbone A, Castelli G, Stanley HE. Time-dependent Hurst exponent in financial time series. Physica A 2004;344:267-71; Carbone A, Castelli G, Stanley HE. Analysis of clusters formed by the moving average of a long-range correlated time series. Phys Rev E 2004;69:026105], to estimate the Hurst exponent of a Brownian walk with a Hurst exponent of 0.5, coupled with low and high intensity noise, and show that dynamical noise has no effect on fractal structure.
Experimental/analytical approaches to modeling, calibrating and optimizing shaking table dynamics for structural dynamic applications
Trombetti, Tomaso
This thesis presents an Experimental/Analytical approach to modeling and calibrating shaking tables for structural dynamic applications. This approach was successfully applied to the shaking table recently built in the structural laboratory of the Civil Engineering Department at Rice University. This shaking table is capable of reproducing model earthquake ground motions with a peak acceleration of 6 g's, a peak velocity of 40 inches per second, and a peak displacement of 3 inches, for a maximum payload of 1500 pounds. It has a frequency bandwidth of approximately 70 Hz and is designed to test structural specimens up to 1/5 scale. The rail/table system is mounted on a reaction mass of about 70,000 pounds consisting of three 12 ft x 12 ft x 1 ft reinforced concrete slabs, post-tensioned together and connected to the strong laboratory floor. The slip table is driven by a hydraulic actuator governed by a 407 MTS controller which employs a proportional-integral-derivative-feedforward-differential pressure algorithm to control the actuator displacement. Feedback signals are provided by two LVDT's (monitoring the slip table relative displacement and the servovalve main stage spool position) and by one differential pressure transducer (monitoring the actuator force). The dynamic actuator-foundation-specimen system is modeled and analyzed by combining linear control theory and linear structural dynamics. The analytical model developed accounts for the effects of actuator oil compressibility, oil leakage in the actuator, time delay in the response of the servovalve spool to a given electrical signal, foundation flexibility, and dynamic characteristics of multi-degree-of-freedom specimens. In order to study the actual dynamic behavior of the shaking table, the transfer function between target and actual table accelerations were identified using experimental results and spectral estimation techniques. The power spectral density of the system input and the cross power spectral
Dynamical stability in fluid-structure interaction
International Nuclear Information System (INIS)
Planchard, J.; Thomas, B.
The aim of the paper is to investigate the dynamical stability of a group of elastic tubes placed in a cross-flow which obeys to the Navier-Stokes equations. The stability of this coupled system is deduced from the study of a quadratic eigenvalue problem arising in the linearized equations. The instability occurs when the real part of one of the eigenvalues becomes positive; the steady state is then replaced by a time-periodic state which is stable (Hopf bifurcation phenomenon). Some numerical methods for solving the quadratic eigenvalue problem are described [fr
Atomic probes of surface structure and dynamics
International Nuclear Information System (INIS)
Heller, E.J.; Jonsson, H.
Progress for the period Sept. 15, 1992 to Sept. 14, 1993 is discussed. Semiclassical methods that will allow much faster and more accurate three-dimensional atom--surface scattering calculations, both elastic and inelastic, are being developed. The scattering of He atoms from buckyballs is being investigated as a test problem. Somewhat more detail is given on studies of He atom scattering from defective Pt surfaces. Molecular dynamics simulations of He + and Ar + ion sputtering of Pt surfaces are also being done. He atom scattering from Xe overlayers on metal surfaces and the thermalized dissociation of H 2 on Cu(110) are being studied. (R.W.R.) 64 refs
Dynamics of structures '89. Vol. 3
International Nuclear Information System (INIS)
The proceedings, comprising 3 volumes published by the Plzen Centre of the Czechoslovak Society for Science and Technology (Vol. 1 and 2) and by Skoda Works in Plzen (Vol. 3), contain 107 papers, out of which 8 fall within the INIS Subject Scope; these deal with problems related to the earthquake resistance of nuclear power plants. Attention is paid to the evaluation of seismic characteristics of nuclear power plant equipment, to the equipment testing and to calculations of its dynamic characteristics under simulated seismic stress. (Z.M.)
Dynamic isoperimetry and the geometry of Lagrangian coherent structures
International Nuclear Information System (INIS)
Froyland, Gary
The study of transport and mixing processes in dynamical systems is particularly important for the analysis of mathematical models of physical systems. We propose a novel, direct geometric method to identify subsets of phase space that remain strongly coherent over a finite time duration. This new method is based on a dynamic extension of classical (static) isoperimetric problems; the latter are concerned with identifying submanifolds with the smallest boundary size relative to their volume.The present work introduces dynamic isoperimetric problems; the study of sets with small boundary size relative to volume as they are evolved by a general dynamical system. We formulate and prove dynamic versions of the fundamental (static) isoperimetric (in)equalities; a dynamic Federer–Fleming theorem and a dynamic Cheeger inequality. We introduce a new dynamic Laplace operator and describe a computational method to identify coherent sets based on eigenfunctions of the dynamic Laplacian.Our results include formal mathematical statements concerning geometric properties of finite-time coherent sets, whose boundaries can be regarded as Lagrangian coherent structures. The computational advantages of our new approach are a well-separated spectrum for the dynamic Laplacian, and flexibility in appropriate numerical approximation methods. Finally, we demonstrate that the dynamic Laplace operator can be realised as a zero-diffusion limit of a newly advanced probabilistic transfer operator method [9] for finding coherent sets, which is based on small diffusion. Thus, the present approach sits naturally alongside the probabilistic approach [9], and adds a formal geometric interpretation. (paper)
Chaos, dynamical structure and climate variability
Energy Technology Data Exchange (ETDEWEB)
Stewart, H.B. [Brookhaven National Lab., Upton, NY (United States). Dept. of Applied Science
Deterministic chaos in dynamical systems offers a new paradigm for understanding irregular fluctuations. Techniques for identifying deterministic chaos from observed data, without recourse to mathematical models, are being developed. Powerful methods exist for reconstructing multidimensional phase space from an observed time series of a single scalar variable; these methods are invaluable when only a single scalar record of the dynamics is available. However, in some applications multiple concurrent time series may be available for consideration as phase space coordinates. Here the authors propose some basic analytical tools for such multichannel time series data, and illustrate them by applications to a simple synthetic model of chaos, to a low-order model of atmospheric circulation, and to two high-resolution paleoclimate proxy data series. The atmospheric circulation model, originally proposed by Lorenz, has 27 principal unknowns; they establish that the chaotic attractor can be embedded in a subspace of eight dimensions by exhibiting a specific subset of eight unknowns which pass multichannel tests for false nearest neighbors. They also show that one of the principal unknowns in the 27-variable model--the global mean sea surface temperature--is of no discernible usefulness in making short-term forecasts.
Nonlinear and stochastic dynamics of coherent structures
DEFF Research Database (Denmark)
Rasmussen, Kim
This Thesis deals with nonlinear and stochastic dynamics in systems which can be described by nonlinear Schrödinger models. Basically three different models are investigated. The first is the continuum nonlinear Schröndinger model in one and two dimensions generalized by a tunable degree of nonli......This Thesis deals with nonlinear and stochastic dynamics in systems which can be described by nonlinear Schrödinger models. Basically three different models are investigated. The first is the continuum nonlinear Schröndinger model in one and two dimensions generalized by a tunable degree...... introduces the nonlinear Schrödinger model in one and two dimensions, discussing the soliton solutions in one dimension and the collapse phenomenon in two dimensions. Also various analytical methods are described. Then a derivation of the nonlinear Schrödinger equation is given, based on a Davydov like...... system described by a tight-binding Hamiltonian and a harmonic lattice coupled b y a deformation-type potential. This derivation results in a two-dimensional nonline ar Schrödinger model, and considering the harmonic lattice to be in thermal contact with a heat bath w e show that the nonlinear...
Dynamic transformation of self-assembled structures using anisotropic magnetized hydrogel microparticles
Yoshida, Satoru; Takinoue, Masahiro; Iwase, Eiji; Onoe, Hiroaki
This paper describes a system through which the self-assembly of anisotropic hydrogel microparticles is achieved, which also enables dynamic transformation of the assembled structures. Using a centrifuge-based microfluidic device, anisotropic hydrogel microparticles encapsulating superparamagnetic materials on one side are fabricated, which respond to a magnetic field. We successfully achieve dynamic assembly using these hydrogel microparticles and realize three different self-assembled structures (single and double pearl chain structures, and close-packed structures), which can be transformed to other structures dynamically via tuning of the precessional magnetic field. We believe that the developed system has potential application as an effective platform for a dynamic cell manipulation and cultivation system, in biomimetic autonomous microrobot organization, and that it can facilitate further understanding of the self-organization and complex systems observed in nature.
Full-scale dynamic structural testing of Paks nuclear power plant
International Nuclear Information System (INIS)
Da Rin, E.M.; Muzzi, F.P.
Within the framework of the IAEA coordinated 'Benchmark Study for the seismic analysis and testing of WWER-type NPPs', in-situ dynamic structural testing activities have been performed at the Paks Nuclear Power Plant in Hungary. The specific objective of the investigation was to obtain experimental data on the actual dynamic structural behaviour of the plant's major constructions and equipment under normal operating conditions, for enabling a valid seismic safety review to be made. This paper gives a synthetic description of the conducted experiments and presents some results, regarding in particular the free-field excitations produced during the earthquake-simulation experiments and an experiment of the dynamic soil-structure interaction global effects at the base of the reactor containment structure. Moreover, a method which can be used for inferring dynamic structural characteristics from the recorded time-histories is briefly described and a simple illustrative example given. (author)
Hadron structure with light dynamical quarks
International Nuclear Information System (INIS)
Edwards, R.G.; Richards, D.G.; Fleming, G.T.; Haegler, P.; Negele, J.W.; Orginos, K.; Pochinsky, A.; Renner, D.B.; Schroers, W.
Generalized parton distributions encompass a wealth of information concerning the three-dimensional quark and gluon structure of the nucleon, and thus provide an ideal focus for the study of hadron structure using lattice QCD. The special limits corresponding to form factors and parton distributions are well explored experimentally, providing clear tests of lattice calculations, and the lack of experimental data for more general cases provides opportunities for genuine predictions and for guiding experiment. We present results from hybrid calculations with improved staggered (Asqtad) sea quarks and domain wall valence quarks at pion masses down to 350 MeV. (orig.)
Framing Effects: Dynamics and Task Domains
The author examines the mechanisms and dynamics of framing effects in risky choices across three distinct task domains (i.e., life-death, public property, and personal money). The choice outcomes of the problems presented in each of the three task domains had a binary structure of a sure thing vs a gamble of equal expected value; the outcomes differed in their framing conditions and the expected values, raging from 6000, 600, 60, to 6, numerically. It was hypothesized that subjects would become more risk seeking, if the sure outcome was below their aspiration level (the minimum requirement). As predicted, more subjects preferred the gamble when facing the life-death choice problems than facing the counterpart problems presented in the other two task domains. Subjects' risk preference varied categorically along the group size dimension in the life-death domain but changed more linearly over the expected value dimension in the monetary domain. Framing effects were observed in 7 of 13 pairs of problems, showing a positive frame-risk aversion and negative frame-risk seeking relationship. In addition, two types of framing effects were theoretically defined and empirically identified. A bidirectional framing effect involves a reversal in risk preference, and occurs when a decision maker's risk preference is ambiguous or weak. Four bidirectional effects were observed; in each case a majority of subjects preferred the sure outcome under a positive frame but the gamble under a negative frame. In contrast, a unidirectional framing effect refers to a preference shift due to the framing of choice outcomes: A majority of subjects preferred one choice outcome (either the sure thing or the gamble) under both framing conditions, with positive frame augmented the preference for the sure thing and negative frame augmented the preference for the gamble. These findings revealed some dynamic regularities of framing effects and posed implications for developing predictive and testable
A framework of DYNAMIC data structures for string processing
DEFF Research Database (Denmark)
Prezza, Nicola
implemented using DYNAMIC with those of stateof-the-art tools performing the same task. Our experiments show that algorithms making use of dynamic compressed data structures can be up to three orders of magnitude more space-efficient (albeit slower) than classical ones performing the same tasks.......In this paper we present DYNAMIC, an open-source C++ library implementing dynamic compressed data structures for string manipulation. Our framework includes useful tools such as searchable partial sums, succinct/gap-encoded bitvectors, and entropy/run-length compressed strings and FM indexes. We...... prove close-to-optimal theoretical bounds for the resources used by our structures, and show that our theoretical predictions are empirically tightly verified in practice. To conclude, we turn our attention to applications. We compare the performance of five recently-published compression algorithms...
Structural Identifiability of Dynamic Systems Biology Models.
Villaverde, Alejandro F; Barreiro, Antonio; Papachristodoulou, Antonis
A powerful way of gaining insight into biological systems is by creating a nonlinear differential equation model, which usually contains many unknown parameters. Such a model is called structurally identifiable if it is possible to determine the values of its parameters from measurements of the model outputs. Structural identifiability is a prerequisite for parameter estimation, and should be assessed before exploiting a model. However, this analysis is seldom performed due to the high computational cost involved in the necessary symbolic calculations, which quickly becomes prohibitive as the problem size increases. In this paper we show how to analyse the structural identifiability of a very general class of nonlinear models by extending methods originally developed for studying observability. We present results about models whose identifiability had not been previously determined, report unidentifiabilities that had not been found before, and show how to modify those unidentifiable models to make them identifiable. This method helps prevent problems caused by lack of identifiability analysis, which can compromise the success of tasks such as experiment design, parameter estimation, and model-based optimization. The procedure is called STRIKE-GOLDD (STRuctural Identifiability taKen as Extended-Generalized Observability with Lie Derivatives and Decomposition), and it is implemented in a MATLAB toolbox which is available as open source software. The broad applicability of this approach facilitates the analysis of the increasingly complex models used in systems biology and other areas.
Structure and dynamics of magnetic nanoparticles
DEFF Research Database (Denmark)
Clausen, K.N.; Bødker, F.; Hansen, M.F.
In this paper we present X-ray and neutron diffraction data illustrating aspects of crystal and magnetic structures of ferromagnetic alpha-Fe and antiferromagnetic NiO nanoparticles, as well as inelastic neutron scattering studies of the magnetic fluctuations in NiO and in canted antiferromagnetic...
Emergence of structured communities through evolutionary dynamics.
Shtilerman, Elad; Kessler, David A; Shnerb, Nadav M
Species-rich communities, in which many competing species coexist in a single trophic level, are quite frequent in nature, but pose a formidable theoretical challenge. In particular, it is known that complex competitive systems become unstable and unfeasible when the number of species is large. Recently, many studies have attributed the stability of natural communities to the structure of the interspecific interaction network, yet the nature of such structures and the underlying mechanisms responsible for them remain open questions. Here we introduce an evolutionary model, based on the generic Lotka-Volterra competitive framework, from which a stable, structured, diverse community emerges spontaneously. The modular structure of the competition matrix reflects the phylogeny of the community, in agreement with the hierarchial taxonomic classification. Closely related species tend to have stronger niche overlap and weaker fitness differences, as opposed to pairs of species from different modules. The competitive-relatedness hypothesis and the idea of emergent neutrality are discussed in the context of this evolutionary model. Copyright © 2015 Elsevier Ltd. All rights reserved.
Dynamic structure in self-sustained turbulence
International Nuclear Information System (INIS)
Itoh, K.; Itoh, S.; Yagi, M.; Fukuyama, A.
Dynamical equation for the self-sustained and pressure-driven turbulence in toroidal plasmas is derived. The growth rate of the dressed-test mode, which belongs to the subcritical turbulence, is obtained as a function of the turbulent transport coefficient. In the limit of the low fluctuation level, the mode has the feature of the nonlinear instability and shows the explosive growth. The growth rate vanishes when the driven transport reaches to the stationarily-turbulent level. The stationary solution is thermodynamically stable. The characteristic time, by which the stationary and self-sustained turbulence is established, scales with the ion-sound transit time and is accelerated by the bad magnetic curvature. Influences of the pressure gradient as well as the radial electric field inhomogeneity are quantified. (author)
Structure and lattice dynamics in non-centrosymmetric borates
International Nuclear Information System (INIS)
Stein, W.D.R.
This thesis deals with a study of structural and lattice dynamical properties of some noncentrosymmetric borates with outstanding non-linear optical properties. The focus was on the compound bismuth triborate (BiB 3 O 6 ). The structure of the tetraborates MB 4 O 7 (M=Pb,Sr,Ba) was also investigated. The structural investigations in bismuth triborate include powder and single crystal diffraction experiments on X-ray and neutron sources. The crystal structure was under examination in the temperature range from 100 K to room temperature and the lattice constants in the temperature range from 20 K to 800 K. The lattice constants show a nearly linear dependency from temperature. Our observations are in good agreement with investigations of the thermal expansion, which shows a strong anisotropy within the layer-like structure of bismuth triborate. Within the borate layers, along the polar axis a strong positive and in the orthogonal direction a negative thermal expansion is observed. This effect can be explained by a zig-zag effect within the borate layers. The lone electron pair at the bismuth atom is discussed to be possibly the origin of the temperature dependency of the coordination environment of the bismuth atom. The influence of the lone electron pair on the crystal structure is raising by lowering the temperature. At the bismuth atom distinct anharmonic effects are observed, where the maximum points along the direction of the polar axis and therefore along the direction of the lone electron pair. The phonon dispersion of bismuth triborate has been investigated by inelastic neutron scattering. The low symmetry of the crystal structure depicts to be a special challenge. The dispersion was observed along the three reciprocal lattice constants. Along the polar axis the dispersion could be characterized to a maximum energy of 20 THz. The low energy acoustic branch along the polar axis shows a softening at the zone boundary. In the orthogonal directions the dispersion
Structure an dynamics in cavity quantum electrodynamics
International Nuclear Information System (INIS)
Kimble, H.J.
Much of the theoretical background related to the radiative processes for atoms in the presence of boundaries comes from two often disjoint areas, namely cavity quantum electrodynamics and optical bistability with two-state atoms. While the former of these areas has been associated to a large degree with studies in a perturbative domain of altered associated to a large degree with studies in a perturbative domain of altered emission processes in the presence of boundaries other than those of free space, the latter is often viewed from the perspective of hysteresis cycles and device applications. With the exception of the laser, however, perhaps the most extensive investigations of quantum statistical processes in quantum optics are to be found in the literature on bistability with two-state atoms and on cavity QED. Unfortunately, the degree of overlap of these two areas has not always been fully appreciated. This circumstance is perhaps due in part to the fact that the investigation of dynamical processes in cavity QED has had as its cornerstone the Jaynes-Cummings problem, with extensions to include, for example, small amounts of dissipation. On the other hand, a principle aspect of the bistability literature has been the study of quantum fluctuations in open systems for which dissipation plays a central role, but for which the coherent quantum dynamics of the Haynes-Cummings model are to a large measure lost due to the usual assumption of large system size and weak coupling (as in the standard theory of the laser). 132 refs., 26 figs., 1 tab
Dynamic loads during failure risk assessment of bridge crane structures
Gorynin, A. D.; Antsev, V. Yu; Shaforost, A. N.
The paper presents the method of failure risk assessment associated with a bridge crane metal structure at the design stage. It also justifies the necessity of taking into account dynamic loads with regard to the operational cycle of a bridge crane during failure risk assessment of its metal structure.
Molecular dynamics of the structure and thermodynamics of dusty ...
African Journals Online (AJOL)
The static structure and thermodynamic properties of two-dimensional dusty plasma are analyzed for some typical values of coupling and screening parameters using classical molecular dynamics. Radial distribution function and static structure factor are computed. The radial distribution functions display the typical ...
Molecular dynamic analysis of the structure of dendrimers
Energy Technology Data Exchange (ETDEWEB)
Canetta, E.; Maino, G. E-mail: firstname.lastname@example.com
We present main results of molecular dynamics simulations that we have carried out in order to investigate structural properties of polyamidoamine (PAMAM) dendrimers. Obtained data confirm the PAMAM dendrimer structure proposed by experiments, performed by means of X-ray scattering (SAXS) and quasi-elastic light scattering (QELS) techniques.
Molecular dynamic analysis of the structure of dendrimers
International Nuclear Information System (INIS)
Canetta, E.; Maino, G.
We present main results of molecular dynamics simulations that we have carried out in order to investigate structural properties of polyamidoamine (PAMAM) dendrimers. Obtained data confirm the PAMAM dendrimer structure proposed by experiments, performed by means of X-ray scattering (SAXS) and quasi-elastic light scattering (QELS) techniques
Dynamic analysis of an industrial structure with fluid-structure interaction
International Nuclear Information System (INIS)
Sigrist, J.F.
The present paper deals with the dynamic analysis of a nuclear reactor subjected to a shock loading with fluid-structure interaction modeling. The general framework of the study is that of linear vibrations, which are investigated for coupled fluid-structure problems. From a methodological point of view, energy deformation and modal mass calculation are exposed for elasto-acoustic systems. From an industrial point of view, the influence of elasto-acoustic coupling effects are highlighted for the studied structure. The dynamic analysis of the coupled system is carried out with various procedures (static, spectral and temporal methods), which are exposed and compared. As a general result, the spectral method is proved to be the most effective for the industrial problem. From the numerical point of view, the discretization procedure is based on a finite element method for the coupled problem, using a displacement and pressure-displacement potential coupled formulation with axi-symmetric representation of the problem unknowns. A finite element code is developed within MATLAB for the specific study, the numerical calculations presented in the paper are used as reference test cases for integration of the (u,p,φ) formulation in the commercial finite element code Ansys. (author)
Dynamic kirigami structures for integrated solar tracking
Lamoureux, Aaron; Lee, Kyusang; Shlian, Matthew; Forrest, Stephen R.; Shtein, Max
Optical tracking is often combined with conventional flat panel solar cells to maximize electrical power generation over the course of a day. However, conventional trackers are complex and often require costly and cumbersome structural components to support system weight. Here we use kirigami (the art of paper cutting) to realize novel solar cells where tracking is integral to the structure at the substrate level. Specifically, an elegant cut pattern is made in thin-film gallium arsenide solar cells, which are then stretched to produce an array of tilted surface elements which can be controlled to within ±1°. We analyze the combined optical and mechanical properties of the tracking system, and demonstrate a mechanically robust system with optical tracking efficiencies matching conventional trackers. This design suggests a pathway towards enabling new applications for solar tracking, as well as inspiring a broader range of optoelectronic and mechanical devices. PMID:26348820
Structure and dynamics of ringed galaxies
International Nuclear Information System (INIS)
Buta, R.J.
In many spiral and SO galaxies, single or multiple ring structures are visible in the disk. These inner rings (r), outer rings (R), and nuclear rings (nr) were investigated by means of morphology, photometry, and spectroscopy in order to provide basic data on a long neglected phenomenon. The metric properties of each ring are investigated and found to correlate with the structure of the parent galaxy. When properly calibrated, inner rings in barred (SB) systems can be used as geometric extragalactic distance indicators to distances in excess of 100 Mpc. Other statistics are presented that confirm previous indications that the rings have preferred shapes, relative sizes, and orientations with respect to bars. A survey is made of the less homogeneous non-barred (SA) ringed systems, and the causes of the inhomogeneity are isolated. It is shown that rings can be identified in multiple-ring SA systems that are exactly analogous to those in barred spirals
Models test on dynamic structure-structure interaction of nuclear power plant buildings
International Nuclear Information System (INIS)
Kitada, Y.; Hirotani, T.
A reactor building of an NPP (nuclear power plant) is generally constructed closely adjacent to a turbine building and other buildings such as the auxiliary building, and in increasing numbers of NPPs, multiple plants are being planned and constructed closely on a single site. In these situations, adjacent buildings are considered to influence each other through the soil during earthquakes and to exhibit dynamic behaviour different from that of separate buildings, because those buildings in NPP are generally heavy and massive. The dynamic interaction between buildings during earthquake through the soil is termed here as 'dynamic cross interaction (DCI)'. In order to comprehend DCI appropriately, forced vibration tests and earthquake observation are needed using closely constructed building models. Standing on this background, Nuclear Power Engineering Corporation (NUPEC) had planned the project to investigate the DCI effect in 1993 after the preceding SSI (soil-structure interaction) investigation project, 'model tests on embedment effect of reactor building'. The project consists of field and laboratory tests. The field test is being carried out using three different building construction conditions, e.g. a single reactor building to be used for the comparison purposes as for a reference, two same reactor buildings used to evaluate pure DCI effects, and two different buildings, reactor and turbine building models to evaluate DCI effects under the actual plant conditions. Forced vibration tests and earthquake observations are planned in the field test. The laboratory test is planned to evaluate basic characteristics of the DCI effects using simple soil model made of silicon rubber and structure models made of aluminum. In this test, forced vibration tests and shaking table tests are planned. The project was started in April 1994 and will be completed in March 2002. This paper describes an outline and the summary of the current status of this project. (orig.)
The Effect of Overskilling Dynamics on Wages
Mavromaras, Kostas; Mahuteau, Stephane; Sloane, Peter; Wei, Zhang
We use a random-effects dynamic probit model to estimate the effect of overskilling dynamics on wages. We find that overskilling mismatch is common and more likely among those who have been overskilled in the past. It is also highly persistent, in a manner that is inversely related to educational level. Yet, the wages of university graduates are…
Effects of Telecoupling on Global Vegetation Dynamics
Viña, A.; Liu, J.
With the ever increasing trend in telecoupling processes, such as international trade, all countries around the world are becoming more interdependent. However, the effects of this growing interdependence on vegetation (e.g., shifts in the geographic extent and distribution) remain unknown even though vegetation dynamics are crucially important for food production, carbon sequestration, provision of other ecosystem services, and biodiversity conservation. In this study we evaluate the effects of international trade on the spatio-temporal trajectories of vegetation at national and global scales, using vegetation index imagery collected over more than three decades by the Advanced Very High Resolution Radiometer (AVHRR) satellite sensor series together with concurrent national and international data on international trade (and its associated movement of people, goods, services and information). The spatio-temporal trajectories of vegetation are obtained using the scale of fluctuation technique, which is based on the decomposition of the AVHRR image time series to obtain information on its spatial dependence structure over time. Similar to the correlation length, the scale of fluctuation corresponds to the range over which fluctuations in the vegetation index are spatially correlated. Results indicate that global vegetation has changed drastically over the last three decades. These changes are not uniform across space, with hotspots in active trading countries. This study not only has direct implications for understanding global vegetation dynamics, but also sheds important insights on the complexity of human-nature interactions across telecoupled systems.
International Conference on Structural Nonlinear Dynamics and Diagnosis
This book, which presents the peer-reviewed post-proceedings of CSNDD 2012 and CSNDD 2014, addresses the important role that relevant concepts and tools from nonlinear and complex dynamics could play in present and future engineering applications. It includes 22 chapters contributed by outstanding researchers and covering various aspects of applications, including: structural health monitoring, diagnosis and damage detection, experimental methodologies, active vibration control and smart structures, passive control of structures using nonlinear energy sinks, vibro-impact dynamic MEMS/NEMS/AFM, energy-harvesting materials and structures, and time-delayed feedback control, as well as aspects of deterministic versus stochastic dynamics and control of nonlinear phenomena in physics. Researchers and engineers interested in the challenges posed and opportunities offered by nonlinearities in the development of passive and active control strategies, energy harvesting, novel design criteria, modeling and characteriz...
Considering dynamic friction and proper structural response in hydraulic load cases for realistic piping design
International Nuclear Information System (INIS)
Diesselhorst, T.; Diatschuk, P.; Schnellhammer, W.
Concerning the design for hydraulic load cases there is always a sequence of fluid- and structural dynamic calculations, where the structural vibrations are induced by the time depending fluid forces. Therefore, in order to prevent excessive structural reactions, it is most important to avoid conservative fluid dynamic results. That refers to the maximum value of the pressure surge as well as to the damping of pressure oscillations. This is especially relevant in case of fluid-structure resonance. To meet these requirements the effect of dynamic wall friction was implemented in our fluid dynamic code. Thus, a more realistic damping behavior of the fluid forces was achieved. In the structural analysis code the damping of the pipe structure could be more accurate adapted to the real conditions. Additionally the local damping by viscous damper was included in the model. At supports now non-linear behavior like clearances can be simulated. The possibility of coupled calculation was installed to consider the effect of fluid structure interaction. The programmed effects are validated against measurement results from power plant systems. The favorable effects of the program improvements are demonstrated by typical examples. These included the realistic damping of pressure oscillations as well as a case of fluid-structure resonance. Additionally the effectiveness of the improved models of piping supports is demonstrated. (authors)
Structural and Functional Effect of an Oscillating Electric Field on the Dopamine-D3 Receptor: A Molecular Dynamics Simulation Study.
Directory of Open Access Journals (Sweden)
Zohreh Fallah
Full Text Available Dopamine as a neurotransmitter plays a critical role in the functioning of the central nervous system. The structure of D3 receptor as a member of class A G-protein coupled receptors (GPCRs has been reported. We used MD simulation to investigate the effect of an oscillating electric field, with frequencies in the range 0.6-800 GHz applied along the z-direction, on the dopamine-D3R complex. The simulations showed that at some frequencies, the application of an external oscillating electric field along the z-direction has a considerable effect on the dopamine-D3R. However, there is no enough evidence for prediction of changes in specific frequency, implying that there is no order in changes. Computing the correlation coefficient parameter showed that increasing the field frequency can weaken the interaction between dopamine and D3R and may decrease the Arg128{3.50}-Glu324{6.30} distance. Because of high stability of α helices along the z-direction, applying an oscillating electric field in this direction with an amplitude 10-time higher did not have a considerable effect. However, applying the oscillating field at the frequency of 0.6 GHz along other directions, such as X-Y and Y-Z planes, could change the energy between the dopamine and the D3R, and the number of internal hydrogen bonds of the protein. This can be due to the effect of the direction of the electric field vis-à-vis the ligands orientation and the interaction of the oscillating electric field with the dipole moment of the protein.
Structural dynamics of the cell nucleus
Wiegert, Simon; Bading, Hilmar
Neuronal morphology plays an essential role in signal processing in the brain. Individual neurons can undergo use-dependent changes in their shape and connectivity, which affects how intracellular processes are regulated and how signals are transferred from one cell to another in a neuronal network. Calcium is one of the most important intracellular second messengers regulating cellular morphologies and functions. In neurons, intracellular calcium levels are controlled by ion channels in the plasma membrane such as NMDA receptors (NMDARs), voltage-gated calcium channels (VGCCs) and certain α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptors (AMPARs) as well as by calcium exchange pathways between the cytosol and internal calcium stores including the endoplasmic reticulum and mitochondria. Synaptic activity and the subsequent opening of ligand and/or voltage-gated calcium channels can initiate cytosolic calcium transients which propagate towards the cell soma and enter the nucleus via its nuclear pore complexes (NPCs) embedded in the nuclear envelope. We recently described the discovery that in hippocampal neurons the morphology of the nucleus affects the calcium dynamics within the nucleus. Here we propose that nuclear infoldings determine whether a nucleus functions as an integrator or detector of oscillating calcium signals. We outline possible ties between nuclear mophology and transcriptional activity and discuss the importance of extending the approach to whole cell calcium signal modeling in order to understand synapse-to-nucleus communication in healthy and dysfunctional neurons. PMID:21738832
Dynamic structure factor on liquid Pb
International Nuclear Information System (INIS)
Padureanu, I.; Rapeanu, S.; Rotarascu, G.; Craciun, C.
Dinamic structure factor S(Q,hω) in liquid Pb has been measured at 350 deg C and 400 deg C using the inelastic scattering of the slow neutrons. The measurements were performed in the momentum transfer range 0.6 A -1 -1 . The intermediate scattering function F(Q,t) is also calculated from S(Q,hω). Multiple scattering calculation shows that it is very large especially at small scattering angles. The comparison of the experimental data with the theory is made in terms of two theoretical models. (author)
Dynamical structure of extreme ultraviolet macrospicules
Karovska, Margarita; Habbal, Shadia Rifai
We describe the substructures forming the macrospicules and their temporal evolution, as revealed by the application of an image enhancement algorithm to extreme ultraviolet (EUV) observations of macrospicules. The enhanced images uncover, for the first time, the substructures forming the column-like structures within the macrospicules and the low-lying arches at their base. The spatial and temporal evolution of macrospicules clearly show continuous interaction between these substructures with occasional ejection of plasma following a ballistic trajectory. We comment on the importance of these results for planning near future space observations of macrospicules with better temporal and spatial resolution.
PDB2CD visualises dynamics within protein structures.
Janes, Robert W
Proteins tend to have defined conformations, a key factor in enabling their function. Atomic resolution structures of proteins are predominantly obtained by either solution nuclear magnetic resonance (NMR) or crystal structure methods. However, when considering a protein whose structure has been determined by both these approaches, on many occasions, the resultant conformations are subtly different, as illustrated by the examples in this study. The solution NMR approach invariably results in a cluster of structures whose conformations satisfy the distance boundaries imposed by the data collected; it might be argued that this is evidence of the dynamics of proteins when in solution. In crystal structures, the proteins are often in an energy minimum state which can result in an increase in the extent of regular secondary structure present relative to the solution state depicted by NMR, because the more dynamic ends of alpha helices and beta strands can become ordered at the lower temperatures. This study examines a novel way to display the differences in conformations within an NMR ensemble and between these and a crystal structure of a protein. Circular dichroism (CD) spectroscopy can be used to characterise protein structures in solution. Using the new bioinformatics tool, PDB2CD, which generates CD spectra from atomic resolution protein structures, the differences between, and possible dynamic range of, conformations adopted by a protein can be visualised.
Modeling and molecular dynamics of HPA-1a and -1b polymorphisms: effects on the structure of the β3 subunit of the αIIbβ3 integrin.
Directory of Open Access Journals (Sweden)
Vincent Jallu
Full Text Available The HPA-1 alloimmune system carried by the platelet integrin αIIbβ3 is the primary cause of alloimmune thrombocytopenia in Caucasians and the HPA-1b allele might be a risk factor for thrombosis. HPA-1a and -1b alleles are defined by a leucine and a proline, respectively, at position 33 in the β3 subunit. Although the structure of αIIbβ3 is available, little is known about structural effects of the L33P substitution and its consequences on immune response and integrin functions.A complete 3D model of the L33-β3 extracellular domain was built and a P33 model was obtained by in silico mutagenesis. We then performed molecular dynamics simulations. Analyses focused on the PSI, I-EGF-1, and I-EGF-2 domains and confirmed higher exposure of residue 33 in the L33 β3 form. These analyses also showed major structural flexibility of all three domains in both forms, but increased flexibility in the P33 β3 form. The L33P substitution does not alter the local structure (residues 33 to 35 of the PSI domain, but modifies the structural equilibrium of the three domains.These results provide a better understanding of HPA-1 epitopes complexity and alloimmunization prevalence of HPA-1a. P33 gain of structure flexibility in the β3 knee may explain the increased adhesion capacity of HPA-1b platelets and the associated thrombotic risk. Our study provides important new insights into the relationship between HPA-1 variants and β3 structure that suggest possible effects on the alloimmune response and platelet function.
Elements of earthquake engineering and structural dynamics. 2. ed.
International Nuclear Information System (INIS)
Filiatrault, A.
This book is written for practising engineers, senior undergraduate and junior structural-engineering students, and university educators. Its main goal is to provide basic knowledge to structural engineers who have no previous knowledge about earthquake engineering and structural dynamics. Earthquake engineering is a multidisciplinary science. This book is not limited to structural analysis and design. The basics of other relevant topics (such as geology, seismology, and geotechnical engineering) are also covered to ensure that structural engineers can interact efficiently with other specialists during a construction project in a seismic zone
Plasma turbulence. Structure formation, selection rule, dynamic response and dynamics transport
International Nuclear Information System (INIS)
Ito, Sanae I.
The five-year project of Grant-in-Aid for Specially Promoted Research entitled general research on the structure formation and selection rule in plasma turbulence had brought many outcomes. Based on these outcomes, the Grant-in-Aid for Scientific Research (S) program entitled general research on dynamic response and dynamic transport in plasma turbulence has started. In the present paper, the state-of-the-art of the research activities on the structure formation, selection rule and dynamics in plasma turbulence are reviewed with reference to outcomes of these projects. (author)
Structure-based control of complex networks with nonlinear dynamics.
Zañudo, Jorge Gomez Tejeda; Yang, Gang; Albert, Réka
What can we learn about controlling a system solely from its underlying network structure? Here we adapt a recently developed framework for control of networks governed by a broad class of nonlinear dynamics that includes the major dynamic models of biological, technological, and social processes. This feedback-based framework provides realizable node overrides that steer a system toward any of its natural long-term dynamic behaviors, regardless of the specific functional forms and system parameters. We use this framework on several real networks, identify the topological characteristics that underlie the predicted node overrides, and compare its predictions to those of structural controllability in control theory. Finally, we demonstrate this framework's applicability in dynamic models of gene regulatory networks and identify nodes whose override is necessary for control in the general case but not in specific model instances.
Dispersion and Solvation Effects on the Structure and Dynamics of N719 Adsorbed to Anatase Titania (101) Surfaces in Room-Temperature Ionic Liquids: An ab Initio Molecular Simulation Study
Byrne, Aaron
Ab initio, density functional theory (DFT)-based molecular dynamics (MD) has been carried out to investigate the effect of explicit solvation on the dynamical and structural properties of a [bmim][NTf2] room-temperature ionic liquid (RTIL), solvating a N719 sensitizing dye adsorbed onto an anatase titania (101) surface. The effect of explicit dispersion on the properties of this dye-sensitized solar cell (DSC) interface has also been studied. Upon inclusion of dispersion interactions in simulations of the solvated system, the average separation between the cations and anions decreases by 0.6 Å; the mean distance between the cations and the surface decreases by about 0.5 Å; and the layering of the RTIL is significantly altered in the first layer surrounding the dye, with the cation being on average 1.5 Å further from the center of the dye. Inclusion of dispersion effects when a solvent is not explicitly included (to dampen longer-range interactions) can result in unphysical "kinking" of the adsorbed dye\\'s configuration. The inclusion of solvent shifts the HOMO and LUMO levels of the titania surface by +3 eV. At this interface, the interplay between the effects of dispersion and solvation combines in ways that are often subtle, such as enhancement or inhibition of specific vibrational modes. © 2015 American Chemical Society.
Directory of Open Access Journals (Sweden)
Olivier Lavialle
Full Text Available A new deformable model based on the use of a particle system is introduced. By defining the local behavior of each particle, the system behaves as an active contour model showing a variable topology and regularization properties. The efficiency of the particle system is illustrated by two applications: the first one concerns the use of the system as a skeleton extractor based on the propagation of particles inside a treeshaped object. Using this method, it is possible to generate a cartography of structures such as veins or channels. In a second illustration, the system avoids the problem of initialization of a piecewise cubic Bspline network used to straighten curved text lines.
Structure and dynamics of photosynthetic proteins studied by neutron scattering and molecular dynamic simulation
International Nuclear Information System (INIS)
Dellerue, Serge
Understand the structure-dynamics-function relation in the case of proteins is essential. But few experimental techniques allow to have access to knowledge of fast internal movements of biological macromolecules. With the neutron scattering method, it has been possible to study the reorientation dynamics of side chains and of polypeptide skeleton for two proteins in terms of water or detergent and of temperature. With the use of the molecular dynamics method, essential for completing and interpreting the experimental data, it has been possible to assess the different contributions of the whole structure of proteins to the overall dynamics. It has been shown that the polypeptide skeleton presents an energy relaxation comparable to those of the side chains. Moreover, it has been explained that the protein dynamics can only be understood in terms of relaxation time distribution. (author) [fr
PWL approximation of nonlinear dynamical systems, part I: structural stability
International Nuclear Information System (INIS)
Storace, M; De Feo, O
This paper and its companion address the problem of the approximation/identification of nonlinear dynamical systems depending on parameters, with a view to their circuit implementation. The proposed method is based on a piecewise-linear approximation technique. In particular, this paper describes the approximation method and applies it to some particularly significant dynamical systems (topological normal forms). The structural stability of the PWL approximations of such systems is investigated through a bifurcation analysis (via continuation methods)
The Return to Schooling in Structural Dynamic Models: A Survey
Christian Belzil
Working paper du GATE 2006-09; This papers contains a survey of the recent literature devoted to the returns to schooling within a dynamic structural framework. I present a historical perspective on the evolution of the literature, from early static models set in a selectivity framework (Willis and Rosen, 1979) to the recent literature, stimulated by Keane and Wolpin (1997), and which uses stochastic dynamic programming techniques. After reviewing the literature thoroughly, I compare the stru...
The assessment of structural dynamics problems in nuclear reactor safety
International Nuclear Information System (INIS)
Liebe, R.
The paper discusses important physical features of structural dynamics problems in reactor safety. First a general characterization is given of the following problems: Containment deformation due to pool-dynamics during BWR-blowdown; behavior of the core internals due to PWR-blowdown loads; dynamic response of a nuclear power plant during an earthquake; fuel element deformation due to local pressure pulses in an LMFBR core. Several criterias are formulated to classify typical problems so that a better choise can be made both of appropriate mathematical/numerical as well as experimental techniques. The degree of physical coupling between structural dynamics and fluid dynamics is discussed in more detail since it requires particular attention when selecting problem-oriented methods of solution. Some examples are given to illustrate the application and to compare advantages and disadvantages of several numerical methods. Then description is given of experimental techniques in structural dynamics and typical problem areas are identified. Finally some results are presented concerning the fuel element deformation problem in LMFBRs and from the general considerations some important conclusions are summarized. (orig.) 891 RW 892 AP [de
Dynamics of a bistable Miura-origami structure
Fang, Hongbin; Li, Suyi; Ji, Huimin; Wang, K. W.
Origami-inspired structures and materials have shown extraordinary properties and performances originating from the intricate geometries of folding. However, current state of the art studies have mostly focused on static and quasistatic characteristics. This research performs a comprehensive experimental and analytical study on the dynamics of origami folding through investigating a stacked Miura-Ori (SMO) structure with intrinsic bistability. We fabricate and experimentally investigated a bistable SMO prototype with rigid facets and flexible crease lines. Under harmonic base excitation, the SMO exhibits both intrawell and interwell oscillations. Spectrum analyses reveal that the dominant nonlinearities of SMO are quadratic and cubic, which generate rich dynamics including subharmonic and chaotic oscillations. The identified nonlinearities indicate that a third-order polynomial can be employed to approximate the measured force-displacement relationship. Such an approximation is validated via numerical study by qualitatively reproducing the phenomena observed in the experiments. The dynamic characteristics of the bistable SMO resemble those of a Helmholtz-Duffing oscillator (HDO); this suggests the possibility of applying the established tools and insights of HDO to predict origami dynamics. We also show that the bistability of SMO can be programmed within a large design space via tailoring the crease stiffness and initial stress-free configurations. The results of this research offer a wealth of fundamental insights into the dynamics of origami folding, and provide a solid foundation for developing foldable and deployable structures and materials with embedded dynamic functionalities.
Dynamics of a bistable Miura-origami structure.
Fang, Hongbin; Li, Suyi; Ji, Huimin; Wang, K W
Origami-inspired structures and materials have shown extraordinary properties and performances originating from the intricate geometries of folding. However, current state of the art studies have mostly focused on static and quasistatic characteristics. This research performs a comprehensive experimental and analytical study on the dynamics of origami folding through investigating a stacked Miura-Ori (SMO) structure with intrinsic bistability. We fabricate and experimentally investigated a bistable SMO prototype with rigid facets and flexible crease lines. Under harmonic base excitation, the SMO exhibits both intrawell and interwell oscillations. Spectrum analyses reveal that the dominant nonlinearities of SMO are quadratic and cubic, which generate rich dynamics including subharmonic and chaotic oscillations. The identified nonlinearities indicate that a third-order polynomial can be employed to approximate the measured force-displacement relationship. Such an approximation is validated via numerical study by qualitatively reproducing the phenomena observed in the experiments. The dynamic characteristics of the bistable SMO resemble those of a Helmholtz-Duffing oscillator (HDO); this suggests the possibility of applying the established tools and insights of HDO to predict origami dynamics. We also show that the bistability of SMO can be programmed within a large design space via tailoring the crease stiffness and initial stress-free configurations. The results of this research offer a wealth of fundamental insights into the dynamics of origami folding, and provide a solid foundation for developing foldable and deployable structures and materials with embedded dynamic functionalities.
Algorithm of Dynamic Model Structural Identification of the Multivariable Plant
Directory of Open Access Journals (Sweden)
Л.М. Блохін
Full Text Available The new algorithm of dynamic model structural identification of the multivariable stabilized plant with observable and unobservable disturbances in the regular operating modes is offered in this paper. With the help of the offered algorithm it is possible to define the "perturbed" models of dynamics not only of the plant, but also the dynamics characteristics of observable and unobservable casual disturbances taking into account the absence of correlation between themselves and control inputs with the unobservable perturbations.
Structure Learning in Stochastic Non-linear Dynamical Systems
Morris, R. D.; Smelyanskiy, V. N.; Luchinsky, D. G.
A great many systems can be modeled in the non-linear dynamical systems framework, as x˙ = f(x) + ξ(t), where f(x) is the potential function for the system, and ξ(t) is the driving noise. Modeling the potential using a set of basis functions, we derive the posterior for the basis coefficients. A more challenging problem is to determine the set of basis functions that are required to model a particular system. We show that using the Bayesian Information Criteria (BIC) to rank models, and the beam search technique, that we can accurately determine the structure of simple non-linear dynamical system models, and the structure of the coupling between non-linear dynamical systems where the individual systems are known. This last case has important ecological applications, for example in predator-prey systems, where the very structure of the coupling between predator-prey pairs can have great ecological significance.
Matrix of transmission in structural dynamics
International Nuclear Information System (INIS)
Mukherjee, S.
The problem of close-coupled systems and cantilever type buildings can be treated efficiently by means of the very general and versatile method of transmission matrix. The expression 'matrix of transmission' is used to point out the fact that the method to be described differs fundamentally from another method related to matrix calculus, and also successfully used in vibration problem. In this method, forces and displacements are introduced as the 'unknowns' of the problem. The 'matrix of transmission' relates these quantities at one point of the structure to those at the neighbouring point. The natural frequencies of a freely vibrating elastic system can be found by applying proper end conditions. The end conditions will yield the frequency determinate to zero. By using suitable numerical method, the natural frequencies and mode shapes are determined, by making a frequency sweep within the range of interest. Results of analysis of a typical nuclear building by this method show very close agreement with the results obtained by using ASKA and SAP IV Program
In situ structure and dynamics of DNA origami determined through molecular dynamics simulations.
Yoo, Jejoong; Aksimentiev, Aleksei
The DNA origami method permits folding of long single-stranded DNA into complex 3D structures with subnanometer precision. Transmission electron microscopy, atomic force microscopy, and recently cryo-EM tomography have been used to characterize the properties of such DNA origami objects, however their microscopic structures and dynamics have remained unknown. Here, we report the results of all-atom molecular dynamics simulations that characterized the structural and mechanical properties of DNA origami objects in unprecedented microscopic detail. When simulated in an aqueous environment, the structures of DNA origami objects depart from their idealized targets as a result of steric, electrostatic, and solvent-mediated forces. Whereas the global structural features of such relaxed conformations conform to the target designs, local deformations are abundant and vary in magnitude along the structures. In contrast to their free-solution conformation, the Holliday junctions in the DNA origami structures adopt a left-handed antiparallel conformation. We find the DNA origami structures undergo considerable temporal fluctuations on both local and global scales. Analysis of such structural fluctuations reveals the local mechanical properties of the DNA origami objects. The lattice type of the structures considerably affects global mechanical properties such as bending rigidity. Our study demonstrates the potential of all-atom molecular dynamics simulations to play a considerable role in future development of the DNA origami field by providing accurate, quantitative assessment of local and global structural and mechanical properties of DNA origami objects.
Curvature effects on lipid packing and dynamics in liposomes revealed by coarse grained molecular dynamics simulations
Risselada, H. Jelger; Marrink, Siewert J.
The molecular packing details of lipids in planar bilayers are well characterized. For curved bilayers, however, little data is available. In this paper we study the effect of temperature and membrane composition on the structural and dynamical properties of a liposomal membrane in the limit of high
Effective mass and damping of submerged structures
International Nuclear Information System (INIS)
Dong, R.G.
Various structures important for safety in nuclear power plants must remain functioning in the event of an earthquake or other dynamic phenomenon. Some of these important structures, such as spent-fuel storage racks, main pressure-relief valve lines, and internal structures in the reactor vessel, are submerged in water. Dynamic analysis must include the force and damping effects of water. This report provides a technical basis for evaluating the wide variety of modeling assumptions currently used in design analysis. Current design analysis techniques and information in the literature form the basis of our conclusions and recommendations. We surveyed 32 industrial firms and reviewed 49 technical references. We compare various theories with published experimental results wherever possible. Our findings generally pertain to idealized structures, such as single isolated members, arrays of members, and coaxial cylinders. We relate these findings to the actual reactor structures through observations and recommendations. Whenever possible we recommend a definite way to evaluate the effect of hydrodynamic forces on these structures
Structural Dynamic Analyses And Test Predictions For Spacecraft Structures With Non-Linearities
Vergniaud, Jean-Baptiste; Soula, Laurent; Newerla, Alfred
The overall objective of the mechanical development and verification process is to ensure that the spacecraft structure is able to sustain the mechanical environments encountered during launch. In general the spacecraft structures are a-priori assumed to behave linear, i.e. the responses to a static load or dynamic excitation, respectively, will increase or decrease proportionally to the amplitude of the load or excitation induced. However, past experiences have shown that various non-linearities might exist in spacecraft structures and the consequences of their dynamic effects can significantly affect the development and verification process. Current processes are mainly adapted to linear spacecraft structure behaviour. No clear rules exist for dealing with major structure non-linearities. They are handled outside the process by individual analysis and margin policy, and analyses after tests to justify the CLA coverage. Non-linearities can primarily affect the current spacecraft development and verification process on two aspects. Prediction of flights loads by launcher/satellite coupled loads analyses (CLA): only linear satellite models are delivered for performing CLA and no well-established rules exist how to properly linearize a model when non- linearities are present. The potential impact of the linearization on the results of the CLA has not yet been properly analyzed. There are thus difficulties to assess that CLA results will cover actual flight levels. Management of satellite verification tests: the CLA results generated with a linear satellite FEM are assumed flight representative. If the internal non- linearities are present in the tested satellite then there might be difficulties to determine which input level must be passed to cover satellite internal loads. The non-linear behaviour can also disturb the shaker control, putting the satellite at risk by potentially imposing too high levels. This paper presents the results of a test campaign performed in
Structural dynamics and vibration 1995. PD-Volume 70
International Nuclear Information System (INIS)
Ovunc, B.A.; Esat, I.I.; Sabir, A.B.; Karadag, V.
The themes of this symposium focused on: dynamic responses to temperature cycles and wind excitation; the influence of the hydraulic feedback on stability; structural reliability; vibratory stress relief; fault detection by signal processing; dynamic contact in mechanisms; vibration of thick flexible mechanisms; higher order mechanisms in flexible mechanisms; natural circular frequencies by finite element method; elastic buckling, stability, and vibration of linear and nonlinear structures; buckling of stiffened plates and rings; mixed variable optimization; vibration optimization; and optimization in a constrained space. Separate abstracts were prepared for 20 papers in this book
Evaluation of seismic behavior of soils under nuclear containment structures via dynamic centrifuge test
Energy Technology Data Exchange (ETDEWEB)
Ha, Jeong Gon, E-mail: firstname.lastname@example.com; Kim, Dong-Soo, E-mail: email@example.com
Highlights: • A series of dynamic centrifuge tests were performed for NPP structure to investigate the soil–foundation-structure interaction with various soil conditions from loose sand to weathered rock. • SFSI phenomena for NPP structure were observed directly using experimental method. • Effect of the soil stiffness and nonlinear characteristics on SFSI was estimated. • There are comparisons of the control motions for seismic design of a NPP structure. • Subsoil condition, earthquake intensity and control motion affected to seismic load. - Abstract: To evaluate the earthquake loads for the seismic design of a nuclear containment structure, it is necessary to consider the soil–foundation-structure interaction (SFSI) due to their interdependent behavior. Especially, understanding the effects of soil stiffness under the structure and the location of control motion to SFSI are very important. Motivated by these requirements, a series of dynamic centrifuge tests were performed with various soil conditions from loose sand to weathered rock (WR), as well as different seismic intensities for the bedrock motion. The different amplification characteristics in peak-accelerations profile and effects of soil-nonlinearity in response spectrum were observed. The dynamic behaviors were compared between surface of free-field and foundation of the structure for the evaluation of the control motion for seismic design. It was found that dynamic centrifuge test has potentials to estimate the seismic load considering SFSI.
Evaluation of seismic behavior of soils under nuclear containment structures via dynamic centrifuge test
International Nuclear Information System (INIS)
Ha, Jeong Gon; Kim, Dong-Soo
Highlights: • A series of dynamic centrifuge tests were performed for NPP structure to investigate the soil–foundation-structure interaction with various soil conditions from loose sand to weathered rock. • SFSI phenomena for NPP structure were observed directly using experimental method. • Effect of the soil stiffness and nonlinear characteristics on SFSI was estimated. • There are comparisons of the control motions for seismic design of a NPP structure. • Subsoil condition, earthquake intensity and control motion affected to seismic load. - Abstract: To evaluate the earthquake loads for the seismic design of a nuclear containment structure, it is necessary to consider the soil–foundation-structure interaction (SFSI) due to their interdependent behavior. Especially, understanding the effects of soil stiffness under the structure and the location of control motion to SFSI are very important. Motivated by these requirements, a series of dynamic centrifuge tests were performed with various soil conditions from loose sand to weathered rock (WR), as well as different seismic intensities for the bedrock motion. The different amplification characteristics in peak-accelerations profile and effects of soil-nonlinearity in response spectrum were observed. The dynamic behaviors were compared between surface of free-field and foundation of the structure for the evaluation of the control motion for seismic design. It was found that dynamic centrifuge test has potentials to estimate the seismic load considering SFSI
Structural, dynamical, and electronic properties of amorphous silicon: An ab initio molecular dynamics study
Energy Technology Data Exchange (ETDEWEB)
Car, R.; Parrinello, M.
An amorphous silicon structure is obtained with a computer simulation based on a new molecular-dynamics technique in which the interatomic potential is derived from a parameter-free quantum mechanical method. Our results for the atomic structure, the phonon spectrum, and the electronic properties are in excellent agreement with experiment. In addition we study details of the microscopic dynamics which are not directly accessible to experiment. We find in particular that structural defects are associated with weak bonds. These may give rise to low-frequency vibrational modes.
Dynamic Effects of Diabatization in Distillation Columns
DEFF Research Database (Denmark)
Bisgaard, Thomas; Huusom, Jakob Kjøbsted; Abildskov, Jens
The dynamic eects of diabatization in distillation columns are investigated in simulation with primary focus on the heat-integrated distillation column (HIDiC). A generic, dynamic, rst-principle model has been formulated, which is exible to describe various diabatic distillation congurations....... Dynamic Relative Gain Array and Singular Value Analysis have been applied in a comparative study of a conventional distillation column and a HIDiC. The study showed increased input-output coupling due to diabatization. Feasible SISO control structures for the HIDiC were also found. Control...
Probalistic Finite Elements (PFEM) structural dynamics and fracture mechanics
Liu, Wing-Kam; Belytschko, Ted; Mani, A.; Besterfield, G.
The purpose of this work is to develop computationally efficient methodologies for assessing the effects of randomness in loads, material properties, and other aspects of a problem by a finite element analysis. The resulting group of methods is called probabilistic finite elements (PFEM). The overall objective of this work is to develop methodologies whereby the lifetime of a component can be predicted, accounting for the variability in the material and geometry of the component, the loads, and other aspects of the environment; and the range of response expected in a particular scenario can be presented to the analyst in addition to the response itself. Emphasis has been placed on methods which are not statistical in character; that is, they do not involve Monte Carlo simulations. The reason for this choice of direction is that Monte Carlo simulations of complex nonlinear response require a tremendous amount of computation. The focus of efforts so far has been on nonlinear structural dynamics. However, in the continuation of this project, emphasis will be shifted to probabilistic fracture mechanics so that the effect of randomness in crack geometry and material properties can be studied interactively with the effect of random load and environment.
Wind turbine structural dynamics - a review of the principles for modern power generation, onshore and offshore
Energy Technology Data Exchange (ETDEWEB)
Tempel, J. van der; Molenaar, D.-P.
Wind turbines for electricity production have two seemingly opposing constraints; they need to be structural secure yet of low cost. To meet the first constraint, it would be an obvious choice to design a stiff structure of consequently large mass but this would drive up the cost. By reducing the mass a more cost effective turbine can be realized. However, such lightweight structures are by definition more flexible. To design a cost effective flexible system, thorough understanding of the dynamics is essential. This paper reviews the theoretical basics of the dynamic design options and applies these to realistic situations, including offshore machines under wave action. The wind energy converter and the support structure form an integrated dynamic system that must be developed in mutual interdependency and close co-operation. This paper provides a contribution to this integration process by extending the design approach initiated in the Opti-OW ECS study and the work of Kuhn. (author)
Dynamic soil-structure interactions on embedded buildings
International Nuclear Information System (INIS)
Kobarg, J.; Werkle, H.; Henseleit, O.
The dynamic soil-structure interaction on the horizontal seismic excitation is investigated on two typical embedded auxiliary buildings of a nuclear power plant. The structure and the soil are modelled by various analytical and numerical methods. Under the condition of the linear viscoelastic theory, i.e. soil characteristic constant in time and independent of strain, the interaction influences between a homogenous soil layer and a structure are analysied for the following parameters: 4) mathematical soil modells; 4) mathematical structure modells; 4) shear wave velocities; 3) embedment conditions; 4) earthquake time histories. (orig.) [de
Hidden in Plain Sight: Subtle Effects of the 8-Oxoguanine Lesion on the Structure, Dynamics, and Thermodynamics of a 15-Base-Pair Oligodeoxynucleotide Duplex†
Crenshaw, Charisse M.; Wade, Jacqueline E.; Arthanari, Haribabu; Frueh, Dominique; Lane, Benjamin F.; Núñez, Megan E.
The base lesion 8-oxoguanine is formed readily by oxidation of DNA, potentially leading to G→T transversion mutations. Despite the apparent similarity of 8-oxoguanine-cytosine base pairs to normal guanine-cytosine base pairs, cellular base excision repair systems effectively recognize the lesion base. Here we apply several techniques to examine a single 8-oxoguanine lesion at the center of a nonpalindromic 15-mer duplex oligonucleotide in an effort to determine what, if anything, distinguishes an 8-oxoguanine-cytosine base pair from a normal base pair. The lesion duplex is globally almost indistinguishable from the unmodified parent duplex using CD spectroscopy and UV melting thermodynamics. The DNA mismatch-detecting photocleavage agent Rh(bpy)2chrysi3+ cleaves only weakly and nonspecifically, revealing that the 8oxoG-C pair is locally stable at the level of the individual base pairs. NMR spectra are also consistent with a well-conserved B-form duplex structure. In the 2D NOESY spectra, base-sugar and imino-imino crosspeaks are strikingly similar between parent and lesion duplexes. Changes in chemical shift due to the 8oxoG lesion are localized to its complementary cytosine and to the 2–3 base pairs immediately flanking the lesion on the lesion strand. Residues further removed from the lesion are shown to be unperturbed by its presence. Notably, imino exchange experiments indicate that the 8-oxoguanine-cytosine pair is strong and stable, with an apparent equilibrium constant for opening equal to that of other internal guanine-cytosine base pairs, on the order of 10−6. This collection of experiments shows that the 8-oxoguanine-cytosine base pair is incredibly stable and similar to the native pair. PMID:21902242
Gas Price Formation, Structure and Dynamics
Energy Technology Data Exchange (ETDEWEB)
Davoust, R.
Our study, focused on gas prices in importing economies, describes wholesale prices and retail prices, their evolution for the last one or two decades, the economic mechanisms of price formation. While an international market for oil has developed thanks to moderate storage and transportation charges, these costs are much higher in the case of natural gas, which involves that this energy is still traded inside continental markets. There are three regional gas markets around the world: North America (the United States, importing mainly from Canada and Mexico), Europe (importing mainly from Russia, Algeria and Norway) and Asia (Japan, Korea, Taiwan, China and India, importing mainly from Indonesia, Malaysia and Australia). A market for gas has also developed in South America, but it will not be covered by our paper. In Europe and the US, due to large domestic resources and strong grids, natural gas is purchased mostly through pipelines. In Northeast Asia, there is a lack of such infrastructures, so imported gas takes mainly the form of Liquefied Natural Gas (LNG), shipped on maritime tankers. Currently, the LNG market is divided into two zones: the Atlantic Basin (Europe and US) and the Pacific Basin (Asia and the Western Coast of America). For the past few years, the Middle East and Africa have tended to be crucial suppliers for both LNG zones. Gas price formation varies deeply between regional markets, depending on several structural factors (regulation, contracting practises, existence of a spot market, liquidity, share of imports). Empirically, the degree of market opening (which corresponds to the seniority in the liberalization process) seems to be the primary determinant of pricing patterns. North America has the most liberalized and well-performing natural gas industry in the world. Gas pricing is highly competitive and is based on supply/demand balances. Spot and futures markets are developed. The British gas sector is also deregulated and thus follows a
Gas Price Formation, Structure and Dynamics
International Nuclear Information System (INIS)
Davoust, R.
Our study, focused on gas prices in importing economies, describes wholesale prices and retail prices, their evolution for the last one or two decades, the economic mechanisms of price formation. While an international market for oil has developed thanks to moderate storage and transportation charges, these costs are much higher in the case of natural gas, which involves that this energy is still traded inside continental markets. There are three regional gas markets around the world: North America (the United States, importing mainly from Canada and Mexico), Europe (importing mainly from Russia, Algeria and Norway) and Asia (Japan, Korea, Taiwan, China and India, importing mainly from Indonesia, Malaysia and Australia). A market for gas has also developed in South America, but it will not be covered by our paper. In Europe and the US, due to large domestic resources and strong grids, natural gas is purchased mostly through pipelines. In Northeast Asia, there is a lack of such infrastructures, so imported gas takes mainly the form of Liquefied Natural Gas (LNG), shipped on maritime tankers. Currently, the LNG market is divided into two zones: the Atlantic Basin (Europe and US) and the Pacific Basin (Asia and the Western Coast of America). For the past few years, the Middle East and Africa have tended to be crucial suppliers for both LNG zones. Gas price formation varies deeply between regional markets, depending on several structural factors (regulation, contracting practises, existence of a spot market, liquidity, share of imports). Empirically, the degree of market opening (which corresponds to the seniority in the liberalization process) seems to be the primary determinant of pricing patterns. North America has the most liberalized and well-performing natural gas industry in the world. Gas pricing is highly competitive and is based on supply/demand balances. Spot and futures markets are developed. The British gas sector is also deregulated and thus follows a
Static/dynamic fluid-structure interaction analysis for 3-D rotary blade model
International Nuclear Information System (INIS)
Kim, Dong Hyun; Kim, Yu Sung; Kim, Dong Man; Park, Kang Kyun
In this study, static/dynamic fluid-structure interaction analyses have been conducted for a 3D rotary blade model like a turbo-machinery or wind turbine blade. Advanced computational analysis system based on Computational Fluid Dynamics (CFD) and Computational Structural Dynamics (CSD) has been developed in order to investigate detailed dynamic responses of rotary type models. Fluid domains are modeled using the computational grid system with local grid deforming techniques. Reynolds-averaged Navier-Stokes equations with various turbulence model are solved for unsteady flow problems of the rotating blade model. Detailed static/dynamic responses and instantaneous pressure contours on the blade surfaces considering flow-separation effects are presented to show the multi-physical phenomenon of the rotating blades.
The structure and dynamics of boron nitride nanoscrolls
International Nuclear Information System (INIS)
Perim, Eric; Galvao, Douglas S
Carbon nanoscrolls (CNSs) are structures formed by rolling up graphene layers into a scroll-like shape. CNNs have been experimentally produced by different groups. Boron nitride nanoscrolls (BNNSs) are similar structures using boron nitride instead of graphene layers. In this paper we report molecular mechanics and molecular dynamics results for the structural and dynamical aspects of BNNS formation. Similarly to CNS, BNNS formation is dominated by two major energy contributions, the increase in the elastic energy and the energetic gain due to van der Waals interactions of the overlapping surface of the rolled layers. The armchair scrolls are the most stable configuration while zigzag scrolls are metastable structures which can be thermally converted to armchairs. Chiral scrolls are unstable and tend to evolve into zigzag or armchair configurations depending on their initial geometries. The possible experimental routes to produce BNNSs are also addressed.
Interfacial ionic 'liquids': connecting static and dynamic structures.
Uysal, Ahmet; Zhou, Hua; Feng, Guang; Lee, Sang Soo; Li, Song; Cummings, Peter T; Fulvio, Pasquale F; Dai, Sheng; McDonough, John K; Gogotsi, Yury; Fenter, Paul
It is well known that room temperature ionic liquids (RTILs) often adopt a charge-separated layered structure, i.e. with alternating cation- and anion-rich layers, at electrified interfaces. However, the dynamic response of the layered structure to temporal variations in applied potential is not well understood. We used in situ, real-time x-ray reflectivity to study the potential-dependent electric double layer (EDL) structure of an imidazolium-based RTIL on charged epitaxial graphene during potential cycling as a function of temperature. The results suggest that the graphene-RTIL interfacial structure is bistable in which the EDL structure at any intermediate potential can be described by the combination of two extreme-potential structures whose proportions vary depending on the polarity and magnitude of the applied potential. This picture is supported by the EDL structures obtained by fully atomistic molecular dynamics simulations at various static potentials. The potential-driven transition between the two structures is characterized by an increasing width but with an approximately fixed hysteresis magnitude as a function of temperature. The results are consistent with the coexistence of distinct anion- and cation-adsorbed structures separated by an energy barrier (∼0.15 eV).
32nd IMAC Conference and Exposition on Structural Dynamics
Mayes, Randy; Rixen, Daniel; Catbas, Fikret; Atamturktur, H; Moaveni, Babak; Papadimitriou, Costas; Schoenherr, Tyler; Foss, Gary; Niezrecki, Christopher; Allemang, Randall; Kerschen, Gaetan
This critical collection examines a range of topics in modal analysis, from experimental techniques to acoustics to biodynamics, as presented in early findings and case studies from the Proceedings of the 32nd IMAC, A Conference and Exposition on Structural Dynamics, 2014. The collection includes papers in the following general technical research areas: Experimental Techniques, Processing Modal Data, Rotating Machinery, Acoustics, Adaptive Structures, Biodynamics, Damping
Proton structure functions in the dipole picture of BFKL dynamics
International Nuclear Information System (INIS)
Navelet, H.; Peschanski, R.; Wallon, S.; Royon, Ch.
The proton structure functions are derived in the QCD dipole picture. Assuming k T and renormalization-group factorization, deep-inelastic proton scattering is related to deep-inelastic onium scattering. A three parameter fit of the 1994 H1 data in the low-x, moderate Q 2 range has been obtained. The dipole picture of BFKL dynamics is shown to provide a relevant model for quantitatively describing the proton structure functions at HERA. (author)
Development of structural health monitoring techniques using dynamics testing
Energy Technology Data Exchange (ETDEWEB)
James, G.H. III [Sandia National Labs., Albuquerque, NM (United States). Experimental Structural Dynamics Dept.
Today`s society depends upon many structures (such as aircraft, bridges, wind turbines, offshore platforms, buildings, and nuclear weapons) which are nearing the end of their design lifetime. Since these structures cannot be economically replaced, techniques for structural health monitoring must be developed and implemented. Modal and structural dynamics measurements hold promise for the global non-destructive inspection of a variety of structures since surface measurements of a vibrating structure can provide information about the health of the internal members without costly (or impossible) dismantling of the structure. In order to develop structural health monitoring for application to operational structures, developments in four areas have been undertaken within this project: operational evaluation, diagnostic measurements, information condensation, and damage identification. The developments in each of these four aspects of structural health monitoring have been exercised on a broad range of experimental data. This experimental data has been extracted from structures from several application areas which include aging aircraft, wind energy, aging bridges, offshore structures, structural supports, and mechanical parts. As a result of these advances, Sandia National Laboratories is in a position to perform further advanced development, operational implementation, and technical consulting for a broad class of the nation`s aging infrastructure problems.
Influence of dynamic material properties on the design criteria of containment structures for fast breeder reactors
International Nuclear Information System (INIS)
Albertini, C.; Montagnani, M.
Effects of defects in materials, created by welding processes and irradiation, are examined taking into account the influence of strain-rate. Materials examined are austenitic stainless steels, such as AISI 316 L and H, AISI 304 L. The influence of such parameters on the flow curves of these materials requires the introduction of additional safety coefficients in calculating the response of dynamically loaded structures such as the pressure vessel in the case of an accident. Furthermore the effects of dynamic multi-axial loading and wave propagation should be taken into account in the safety analysis. Running experiments in dynamic biaxial loading conditions are introduced. (author)
Dynamic Arrest in Charged Colloidal Systems Exhibiting Large-Scale Structural Heterogeneities
International Nuclear Information System (INIS)
Haro-Perez, C.; Callejas-Fernandez, J.; Hidalgo-Alvarez, R.; Rojas-Ochoa, L. F.; Castaneda-Priego, R.; Quesada-Perez, M.; Trappe, V.
Suspensions of charged liposomes are found to exhibit typical features of strongly repulsive fluid systems at short length scales, while exhibiting structural heterogeneities at larger length scales that are characteristic of attractive systems. We model the static structure factor of these systems using effective pair interaction potentials composed of a long-range attraction and a shorter range repulsion. Our modeling of the static structure yields conditions for dynamically arrested states at larger volume fractions, which we find to agree with the experimentally observed dynamics
Functional clustering in hippocampal cultures: relating network structure and dynamics
International Nuclear Information System (INIS)
Feldt, S; Dzakpasu, R; Olariu, E; Żochowski, M; Wang, J X; Shtrahman, E
In this work we investigate the relationship between gross anatomic structural network properties, neuronal dynamics and the resultant functional structure in dissociated rat hippocampal cultures. Specifically, we studied cultures as they developed under two conditions: the first supporting glial cell growth (high glial group), and the second one inhibiting it (low glial group). We then compared structural network properties and the spatio-temporal activity patterns of the neurons. Differences in dynamics between the two groups could be linked to the impact of the glial network on the neuronal network as the cultures developed. We also implemented a recently developed algorithm called the functional clustering algorithm (FCA) to obtain the resulting functional network structure. We show that this new algorithm is useful for capturing changes in functional network structure as the networks evolve over time. The FCA detects changes in functional structure that are consistent with expected dynamical differences due to the impact of the glial network. Cultures in the high glial group show an increase in global synchronization as the cultures age, while those in the low glial group remain locally synchronized. We additionally use the FCA to quantify the amount of synchronization present in the cultures and show that the total level of synchronization in the high glial group is stronger than in the low glial group. These results indicate an interdependence between the glial and neuronal networks present in dissociated cultures
Thermal Structure and Mantle Dynamics of Rocky Exoplanets
Wagner, F. W.; Tosi, N.; Hussmann, H.; Sohl, F.
The confirmed detections of CoRoT-7b and Kepler-10b reveal that rocky exoplanets exist. Moreover, recent theoretical studies suggest that small planets beyond the Solar System are indeed common and many of them will be discovered by increasingly precise observational surveys in the years ahead. The knowledge about the interior structure and thermal state of exoplanet interiors provides crucial theoretical input not only for classification and characterization of individual planetary bodies, but also to better understand the origin and evolution of the Solar System and the Earth in general. These developments and considerations have motivated us to address several questions concerning thermal structure and interior dynamics of terrestrial exoplanets. In the present study, depth-dependent structural models of solid exoplanet interiors have been constructed in conjunction with a mixing length approach to calculate self-consistently the radial distribution of temperature and heat flux. Furthermore, 2-D convection simulations using the compressible anelastic approximation have been carried through to examine the effect of thermodynamic quantities (e.g., thermal expansivity) on mantle convection pattern within rocky planets more massive than the Earth. In comparison to parameterized convection models, our calculated results predict generally hotter planetary interiors, which are mainly attributed to a viscosity-regulating feedback mechanism involving temperature and pressure. We find that density and thermal conductivity increase with depth by a factor of two to three, however, thermal expansivity decreases by more than an order of magnitude across the mantle for planets as massive as CoRoT-7b or Kepler-10b. The specific heat capacity is observed to stay almost constant over an extended region of the lower mantle. The planform of mantle convection is strongly modified in the presence of depth-dependent thermodynamic quantities with hot upwellings (plumes) rising across
Parameter and Structure Inference for Nonlinear Dynamical Systems
Morris, Robin D.; Smelyanskiy, Vadim N.; Millonas, Mark
A great many systems can be modeled in the non-linear dynamical systems framework, as x = f(x) + xi(t), where f() is the potential function for the system, and xi is the excitation noise. Modeling the potential using a set of basis functions, we derive the posterior for the basis coefficients. A more challenging problem is to determine the set of basis functions that are required to model a particular system. We show that using the Bayesian Information Criteria (BIC) to rank models, and the beam search technique, that we can accurately determine the structure of simple non-linear dynamical system models, and the structure of the coupling between non-linear dynamical systems where the individual systems are known. This last case has important ecological applications.
The Fine Structure of Equity-Index Option Dynamics
DEFF Research Database (Denmark)
Andersen, Torben G.; Bondarenko, Oleg; Todorov, Viktor
We analyze the high-frequency dynamics of S&P 500 equity-index option prices by constructing an assortment of implied volatility measures. This allows us to infer the underlying fine structure behind the innovations in the latent state variables driving the movements of the volatility surface...
Zooplankton community structure and dynamics during the transition ...
African Journals Online (AJOL)
This study investigates the zooplankton community structure and dynamics of Kufena Rock Pool during the transition from dry season (March to April) to rainy season (May to June) in Zaria, Nigeria. Physicochemical parameters such as temperature, hydrogen ion concentration, electrical conductivity and total dissolved ...
Progression of 3D Protein Structure and Dynamics Measurements
Sato-Tomita, Ayana; Sekiguchi, Hiroshi; Sasaki, Yuji C.
New measurement methodologies have begun to be proposed with the recent progress in the life sciences. Here, we introduce two new methodologies, X-ray fluorescence holography for protein structural analysis and diffracted X-ray tracking (DXT), to observe the dynamic behaviors of individual single molecules.
Structure of hydrogenated amorphous silicon from ab initio molecular dynamics
Energy Technology Data Exchange (ETDEWEB)
Buda, F. (Department of Physics, The Ohio State University, 174 West 18th Avenue, Columbus, Ohio (USA)); Chiarotti, G.L. (International School for Advanced Studies, Strada Costiera 11, I-34014 Trieste (Italy) Laboratorio Tecnologie Avanzate Superfici e Catalisi del Consorzio Interuniversitario Nazionale di Fisica della Materia, Padriciano 99, I-34012 Trieste (Italy)); Car, R. (International School for Advanced Studies, Strada Costiera 11, I-34014 Trieste (Italy) Institut Romard de Recherche Numerique en Physique des Materiaux, CH-1015 Lausanne, Switzerland Department of Condensed Matter Physics, University of Geneva, CH-1211 Geneva (Switzerland)); Parrinello, M. (IBM Research Division, Zurich Research Laboratory, CH-8803 Rueschlikon (Switzerland))
We have generated a model of hydrogenated amorphous silicon by first-principles molecular dynamics. Our results are in good agreement with the available experimental data and provide new insight into the microscopic structure of this material. The calculation lends support to models in which monohydride complexes are prevalent, and indicates a strong tendency of hydrogen to form small clusters.
Gauge-invariant cosmic structures---A dynamic systems approach
International Nuclear Information System (INIS)
Woszczyna, A.
Gravitational instability is expressed in terms of the dynamic systems theory. The gauge-invariant Ellis-Bruni equation and Bardeen's equation are discussed in detail. It is shown that in an open universe filled with matter of constant sound velocity the Jeans criterion does not adequately define the length scale of the gravitational structure
A new dynamic null model for phylogenetic community structure
Pigot, Alex L; Etienne, Rampal S
Phylogenies are increasingly applied to identify the mechanisms structuring ecological communities but progress has been hindered by a reliance on statistical null models that ignore the historical process of community assembly. Here, we address this, and develop a dynamic null model of assembly by
Isomorph invariance of the structure and dynamics of classical crystals
DEFF Research Database (Denmark)
Albrechtsen, Dan; Olsen, Andreas Elmerdahl; Pedersen, Ulf Rørbæk
This paper shows by computer simulations that some crystalline systems have curves in their thermodynamic phase diagrams, so-called isomorphs, along which structure and dynamics in reduced units are invariant to a good approximation. The crystals are studied in a classical-mechanical framework...
Nuclear visions enhanced: chromatin structure, organization and dynamics
Meshorer, Eran; Herrmann, Harald; Raška, Ivan
The EMBO Workshop on 'Chromatin Structure, Organization and Dynamics' took place in April 2011 in Prague, Czech Republic. Participants presented data on the generation of models of the genome, working to correlate changes in the organization of chromatin with the functional state of the genome.
From dynamics to structure and function of model biomolecular systems
Fontaine-Vive-Curtaz, F.
The purpose of this thesis was to extend recent works on structure and dynamics of hydrogen bonded crystals to model biomolecular systems and biological processes. The tools that we have used are neutron scattering (NS) and density functional theory (DFT) and force field (FF) based simulation
Fluorescence relaxation spectroscopy : light on dynamical structures of flavoproteins
Burten - Bastiaens, P.I.H.
Refinements in technique and data analysis have opened new avenues for a detailed interpretation of protein fluorescence. What is more, by combining new insights in protein structure and dynamics with improved knowledge of photophysics of biological chromophores, the coupling between
Modeling dynamic effects of promotion on interpurchase times
D. Fok (Dennis); R. Paap (Richard); Ph.H.B.F. Franses (Philip Hans)
textabstractIn this paper we put forward a duration model to analyze the dynamic effects of marketing-mix variables on interpurchase times. We extend the accelerated failure-time model with an autoregressive structure. An important feature of our model is that it allows for different long-run and
Dynamics and control of twisting bi-stable structures
Arrieta, Andres F.; van Gemmeren, Valentin; Anderson, Aaron J.; Weaver, Paul M.
Compliance-based morphing structures have the potential to offer large shape adaptation, high stiffness and low weight, while reducing complexity, friction, and scalability problems of mechanism based systems. A promising class of structure that enables these characteristics are multi-stable structures given their ability to exhibit large deflections and rotations without the expensive need for continuous actuation, with the latter only required intermittently. Furthermore, multi-stable structures exhibit inherently fast response due to the snap-through instability governing changes between stable states, enabling rapid configuration switching between the discrete number of programmed shapes of the structure. In this paper, the design and utilisation of the inherent nonlinear dynamics of bi-stable twisting I-beam structures for actuation with low strain piezoelectric materials is presented. The I-beam structure consists of three compliant components assembled into a monolithic single element, free of moving parts, and showing large deflections between two stable states. Finite element analysis is utilised to uncover the distribution of strain across the width of the flange, guiding the choice of positioning for piezoelectric actuators. In addition, the actuation authority is maximised by calculating the generalised coupling coefficient for different positions of the piezoelectric actuators. The results obtained are employed to tailor and test I-beam designs exhibiting desired large deflection between stable states, while still enabling the activation of snap-through with the low strain piezoelectric actuators. To this end, the dynamic response of the I-beams to piezoelectric excitation is investigated, revealing that resonant excitations are insufficient to dynamically trigger snap-through. A novel bang-bang control strategy, which exploits the nonlinear dynamics of the structure successfully triggers both single and constant snap-through between the stable states
Dynamical Heterogeneity in Granular Fluids and Structural Glasses
Avila, Karina E.
Our current understanding of the dynamics of supercooled liquids and other similar slowly evolving (glassy) systems is rather limited. One aspect that is particularly poorly understood is the origin and behavior of the strong non trivial fluctuations that appear in the relaxation process toward equilibrium. Glassy systems and granular systems both present regions of particles moving cooperatively and at different rates from other regions. This phenomenon is known as spatially heterogeneous dynamics. A detailed explanation of this phenomenon may lead to a better understanding of the slow relaxation process, and perhaps it could even help to explain the presence of the glass transition. This dissertation concentrates on studying dynamical heterogeneity by analyzing simulation data for models of granular materials and structural glasses. For dissipative granular fluids, the growing behavior of dynamical heterogeneities is studied for different densities and different degrees of inelasticity in the particle collisions. The correlated regions are found to grow rapidly as the system approaches dynamical arrest. Their geometry is conserved even when probing at different cutoff length in the correlation function or when the energy dissipation in the system is increased. For structural glasses, I test a theoretical framework that models dynamical heterogeneity as originated in the presence of Goldstone modes, which emerge from a broken continuous time reparametrization symmetry. This analysis is based on quantifying the size and the spatial correlations of fluctuations in the time variable and of other kinds of fluctuations. The results obtained here agree with the predictions of the hypothesis. In particular, the fluctuations associated to the time reparametrization invariance become stronger for low temperatures, long timescales, and large coarse graining lengths. Overall, this research points to dynamical heterogeneity to be described for granular systems similarly than
Uncertainty Quantification in Experimental Structural Dynamics Identification of Composite Material Structures
DEFF Research Database (Denmark)
Luczak, Marcin; Peeters, Bart; Kahsin, Maciej
for uncertainty evaluation in experimentally estimated models. Investigated structures are plates, fuselage panels and helicopter main rotor blades as they represent different complexity levels ranging from coupon, through sub-component up to fully assembled structures made of composite materials. To evaluate......Aerospace and wind energy structures are extensively using components made of composite materials. Since these structures are subjected to dynamic environments with time-varying loading conditions, it is important to model their dynamic behavior and validate these models by means of vibration...
Dynamic characteristics and structural response of the SWR 1000 under earthquake loading conditions
International Nuclear Information System (INIS)
Bielor, E.; Brettschuh, W.; Krutzik, N.J.; Tropp, R.
Based on the conceptual design documentation of the SWR 1000 reactor building as well as specified representative seismological, and soil-dynamic input data, corresponding to prospective sites as a basis, the dynamic characteristics, as well as the in-structure dynamic response of the coupled vibrating structures have been elaborated. The structural design analysis was based on a 3-dimensional mathematical model of the building in which all details of the internal structures as well as the containment including the water in the pools were represented adequately. In order to demonstrate the influence of the soil-structure interaction effects on the dynamic response results, the soil was represented by two different assumptions. At first, considering the state of the art procedures, assuming frequency independent soil capabilities (equivalent stiffnesses and damping values), time domain calculations were carried out. In the second step, based on the frequency-dependency of the soil capabilities, frequency domain calculations were performed. The structural responses obtained by means of both procedures and the same mathematical model of the structures were evaluated and compared. The suitability of the preliminary design concept are discussed and the structural response results obtained on the basis of the bearing capacity and the stresses in the characteristic regions of the structure
Quark effects in nuclear structure
International Nuclear Information System (INIS)
Watt, A.
Some experimental data in nuclear structure physics cannot be explained on the assumption that nuclei consist of inert protons and neutrons. The quark model attributes a definite internal structure to nucleons and implies that their properties should change when embedded in a nucleus. This article reviews some of the experimental evidence for these effects and discusses some new aspects of nuclear structure predicted by the quark model
The effects of hydrological dynamics on benthic diatom community structure in a highly stratified estuary: The case of the Ebro Estuary (Catalonia, Spain)
Rovira, L.; Trobajo, R.; Leira, M.; Ibáñez, C.
This study of the distribution of benthic diatom assemblages and their relationship with environmental factors in a highly stratified Mediterranean estuary, i.e. the Ebro Estuary, shows the importance of hydrological dynamics to explain the features of the diatom community in such an estuary, where river flow magnitude and fluctuations imply strong physicochemical variability especially in sites close to the sea. Eight sites along the estuary were sampled during 2007-2008 both at superficial and deep water layers, in order to gather both horizontal and vertical estuarine physicochemical and hydrological gradients. Canonical Variates Analysis and Hierarchical Cluster Analysis segregated diatom community in two assemblages depending on the dynamics of the salt-wedge. The diatom assemblages of riverine conditions (i.e. without salt-wedge influence) where characterised by high abundances of Cocconeis placentula var. euglypta and Amphora pediculus, meanwhile high abundances of Nizschia frustulum and Nitzschia inconspicua were characteristic of estuarine conditions (i.e. under salt-wedge influence). Redundancy Analysis showed that both diatom assemblages responded seasonally to Ebro River flows, especially in estuarine conditions, where fluctuating conditions affected diatom assemblages both at spatial and temporal scale.
Structure and dynamics of thylakoids in land plants
DEFF Research Database (Denmark)
Pribil, Mathias; Labs, Mathias; Leister, Dario
Thylakoids of land plants have a bipartite structure, consisting of cylindrical grana stacks, made of membranous discs piled one on top of the other, and stroma lamellae which are helically wound around the cylinders. Protein complexes predominantly located in the stroma lamellae and grana end....... Depending on light conditions, thylakoid membranes undergo dynamic structural changes that involve alterations in granum diameter and height, vertical unstacking of grana, and swelling of the thylakoid lumen. This plasticity is realized predominantly by reorganization of the supramolecular structure...
Dynamic vortex dust structures in a nuclear-track plasma
International Nuclear Information System (INIS)
Rykov, V A; Khudyakov, A V; Filinov, V S; Vladimirov, V I; Deputatova, L V; Krutov, D V; Fortov, V E
Results are presented from Monte Carlo calculations of the electric charge on dust grains in a plasma produced during the slowing down of radioactive decay products of californium nuclei in neon. The dust grain charging is explained as being due to the drift of electrons and ions in an external electric field. It is shown that the charges of the grains depend on their coordinates and strongly fluctuate with time. The time-averaged grain charges agree with the experimental data obtained on ordered liquid-like dust structures in a nuclear-track plasma. The time-averaged dust grain charges are used to carry out computer modelling of the formation of dynamic vortex structures observed in experiments. Evidence is obtained for the fact that the electrostatic forces experienced by the dust grains are potential in character. The paper is supplemented by a video clip showing the typical dynamics of the simulated vortex dust structure
Capacitorless one-transistor dynamic random-access memory based on asymmetric double-gate Ge/GaAs-heterojunction tunneling field-effect transistor with n-doped boosting layer and drain-underlap structure
Yoon, Young Jun; Seo, Jae Hwa; Kang, In Man
In this work, we present a capacitorless one-transistor dynamic random-access memory (1T-DRAM) based on an asymmetric double-gate Ge/GaAs-heterojunction tunneling field-effect transistor (TFET) for DRAM applications. The n-doped boosting layer and gate2 drain-underlap structure is employed in the device to obtain an excellent 1T-DRAM performance. The n-doped layer inserted between the source and channel regions improves the sensing margin because of a high rate of increase in the band-to-band tunneling (BTBT) probability. Furthermore, because the gate2 drain-underlap structure reduces the recombination rate that occurs between the gate2 and drain regions, a device with a gate2 drain-underlap length (L G2_D-underlap) of 10 nm exhibited a longer retention performance. As a result, by applying the n-doped layer and gate2 drain-underlap structure, the proposed device exhibited not only a high sensing margin of 1.11 µA/µm but also a long retention time of greater than 100 ms at a temperature of 358 K (85 °C).
Uncertainty propagation through dynamic models of assemblies of mechanical structures
International Nuclear Information System (INIS)
Daouk, Sami
When studying the behaviour of mechanical systems, mathematical models and structural parameters are usually considered deterministic. Return on experience shows however that these elements are uncertain in most cases, due to natural variability or lack of knowledge. Therefore, quantifying the quality and reliability of the numerical model of an industrial assembly remains a major question in low-frequency dynamics. The purpose of this thesis is to improve the vibratory design of bolted assemblies through setting up a dynamic connector model that takes account of different types and sources of uncertainty on stiffness parameters, in a simple, efficient and exploitable in industrial context. This work has been carried out in the framework of the SICODYN project, led by EDF R and D, that aims to characterise and quantify, numerically and experimentally, the uncertainties in the dynamic behaviour of bolted industrial assemblies. Comparative studies of several numerical methods of uncertainty propagation demonstrate the advantage of using the Lack-Of-Knowledge theory. An experimental characterisation of uncertainties in bolted structures is performed on a dynamic test rig and on an industrial assembly. The propagation of many small and large uncertainties through different dynamic models of mechanical assemblies leads to the assessment of the efficiency of the Lack-Of-Knowledge theory and its applicability in an industrial environment. (author)
Excitonic dynamical Franz-Keldysh effect
DEFF Research Database (Denmark)
Nordstrøm, K.B.; Johnsen, Kristinn; Allen, S.J.
The dynamical Franz-Keldysh effect is exposed by exploring near-band-gap absorption in the presence of intense THz electric fields. It bridges the gap between the de Franz-Keldysh effect and multiphoton absorption and competes with the THz ac Stark effect in shifting the energy of the excitonic...... resonance. A theoretical model which includes the strong THz field nonperturbatively via a nonequilibrium Green functions technique is able to describe the dynamical Franz-Keldysh effect in the presence of excitonic absorption....
Solution structure and dynamics of melanoma inhibitory activity protein
International Nuclear Information System (INIS)
Lougheed, Julie C.; Domaille, Peter J.; Handel, Tracy M.
Melanoma inhibitory activity (MIA) is a small secreted protein that is implicated in cartilage cell maintenance and melanoma metastasis. It is representative of a recently discovered family of proteins that contain a Src Homologous 3 (SH3) subdomain. While SH3 domains are normally found in intracellular proteins and mediate protein-protein interactions via recognition of polyproline helices, MIA is single-domain extracellular protein, and it probably binds to a different class of ligands.Here we report the assignments, solution structure, and dynamics of human MIA determined by heteronuclear NMR methods. The structures were calculated in a semi-automated manner without manual assignment of NOE crosspeaks, and have a backbone rmsd of 0.38 A over the ordered regions of the protein. The structure consists of an SH3-like subdomain with N- and C-terminal extensions of approximately 20 amino acids each that together form a novel fold. The rmsd between the solution structure and our recently reported crystal structure is 0.86 A over the ordered regions of the backbone, and the main differences are localized to the most dynamic regions of the protein. The similarity between the NMR and crystal structures supports the use of automated NOE assignments and ambiguous restraints to accelerate the calculation of NMR structures
Coalescence of silver unidimensional structures by molecular dynamics simulation
International Nuclear Information System (INIS)
Perez A, M.; Gutierrez W, C.E.; Mondragon, G.; Arenas, J.
The study of nanoparticles coalescence and silver nano rods phenomena by means of molecular dynamics simulation under the thermodynamic laws is reported. In this work we focus ourselves to see the conditions under which the one can be given one dimension growth of silver nano rods for the coalescence phenomenon among two nano rods or one nano rod and one particle; what allows us to study those structural, dynamic and morphological properties of the silver nano rods to different thermodynamic conditions. The simulations are carried out using the Sutton-Chen potentials of interaction of many bodies that allow to obtain appropriate results with the real physical systems. (Author)
An age-structured population balance model for microbial dynamics
Directory of Open Access Journals (Sweden)
Duarte M.V.E.
Full Text Available This work presents an age-structured population balance model (ASPBM for a bioprocess in a continuous stirred-tank fermentor. It relates the macroscopic properties and dynamic behavior of biomass to the operational parameters and microscopic properties of cells. Population dynamics is governed by two time- and age-dependent density functions for living and dead cells, accounting for the influence of substrate and dissolved oxygen concentrations on cell division, aging and death processes. The ASPBM described biomass and substrate oscillations in aerobic continuous cultures as experimentally observed. It is noteworthy that a small data set consisting of nonsegregated measurements was sufficient to adjust a complex segregated mathematical model.
Estimating spatio-temporal dynamics of size-structured populations
DEFF Research Database (Denmark)
Kristensen, Kasper; Thygesen, Uffe Høgsbro; Andersen, Ken Haste
with simple stock dynamics, to estimate simultaneously how size distributions and spatial distributions develop in time. We demonstrate the method for a cod population sampled by trawl surveys. Particular attention is paid to correlation between size classes within each trawl haul due to clustering...... of individuals with similar size. The model estimates growth, mortality and reproduction, after which any aspect of size-structure, spatio-temporal population dynamics, as well as the sampling process can be probed. This is illustrated by two applications: 1) tracking the spatial movements of a single cohort...
Probing the Structure and Dynamics of Proteins by Combining Molecular Dynamics Simulations and Experimental NMR Data.
Allison, Jane R; Hertig, Samuel; Missimer, John H; Smith, Lorna J; Steinmetz, Michel O; Dolenc, Jožica
NMR experiments provide detailed structural information about biological macromolecules in solution. However, the amount of information obtained is usually much less than the number of degrees of freedom of the macromolecule. Moreover, the relationships between experimental observables and structural information, such as interatomic distances or dihedral angle values, may be multiple-valued and may rely on empirical parameters and approximations. The extraction of structural information from experimental data is further complicated by the time- and ensemble-averaged nature of NMR observables. Combining NMR data with molecular dynamics simulations can elucidate and alleviate some of these problems, as well as allow inconsistencies in the NMR data to be identified. Here, we use a number of examples from our work to highlight the power of molecular dynamics simulations in providing a structural interpretation of solution NMR data.
The structure and dynamics of patterns of Benard convection cells
International Nuclear Information System (INIS)
Rivier, N.; Imperial Coll. of Science and Technology, London; Lausanne Univ.
Benard-Marangoni convection, in containers with large aspect ratio, exhibits space-filling cellular structures, highly deformable, but crystallized. They contain dislocations and grain boundaries generated and moved by elementary topological transformations, and are subjected to a weak shear stress due to the earth's rotation. The cellular structure and its fluctuations are analyzed from a crystallographic viewpoint, by using two complementary approaches. One is a global analysis of cellular structures in cylindrical symmetry. Their structural stability and defect pattern are obtained as topological mode-locking of a continuous structural parameter. The other, a local, molecular dynamics of the cells, gives a realistic parametrization of the forces and the transformations by generalizing the Voronoi cell construction in one extra dimension. 23 refs., 8 figs
Cooperation guided by the coexistence of imitation dynamics and aspiration dynamics in structured populations
Xu, Kuangyi; Li, Kun; Cong, Rui; Wang, Long
In the framework of the evolutionary game theory, two fundamentally different mechanisms, the imitation process and the aspiration-driven dynamics, can be adopted by players to update their strategies. In the former case, individuals imitate the strategy of a more successful peer, while in the latter case individuals change their strategies based on a comparison of payoffs they collect in the game to their own aspiration levels. Here we explore how cooperation evolves for the coexistence of these two dynamics. Intriguingly, cooperation reaches its lowest level when a certain moderate fraction of individuals pick aspiration-level-driven rule while the others choose pairwise comparison rule. Furthermore, when individuals can adjust their update rules besides their strategies, either imitation dynamics or aspiration-driven dynamics will finally take over the entire population, and the stationary cooperation level is determined by the outcome of competition between these two dynamics. We find that appropriate synergetic effects and moderate aspiration level boost the fixation probability of aspiration-driven dynamics most effectively. Our work may be helpful in understanding the cooperative behavior induced by the coexistence of imitation dynamics and aspiration dynamics in the society.
Communication: Stiff and soft nano-environments and the "Octopus Effect" are the crux of ionic liquid structural and dynamical heterogeneity
Daly, Ryan P.; Araque, Juan C.; Margulis, Claudio J.
In a recent set of articles [J. C. Araque et al., J. Phys. Chem. B 119(23), 7015-7029 (2015) and J. C. Araque et al., J. Chem. Phys. 144, 204504 (2016)], we proposed the idea that for small neutral and charged solutes dissolved in ionic liquids, deviation from simple hydrodynamic predictions in translational and rotational dynamics can be explained in terms of diffusion through nano-environments that are stiff (high electrostriction, charge density, and number density) and others that are soft (charge depleted). The current article takes a purely solvent-centric approach in trying to provide molecular detail and intuitive visual understanding of time-dependent local mobility focusing on the most common case of an ionic liquid with well defined polar and apolar nano-domains. We find that at intermediate time scales, apolar regions are fluid, whereas the charge network is much less mobile. Because apolar domains and cationic heads must diffuse as single species, at long time the difference in mobility also necessarily dissipates.
Dynamic testing of MFTF containment-vessel structural system
International Nuclear Information System (INIS)
Weaver, H.J.; McCallen, D.B.; Eli, M.W.
Dynamic (modal) testing was performed on the Magnetic Fusion Test Facility (MFTF) containment vessel. The seismic design of this vessel was heavily dependent upon the value of structural damping used in the analysis. Typically for welded steel vessels, a value of 2 to 3% of critical is used. However, due to the large mass of the vessel and magnet supported inside, we felt that the interaction between the structure and its foundation would be enhanced. This would result in a larger value of damping because vibrational energy in the structure would be transferred through the foundation into the surrounding soil. The dynamic test performed on this structure (with the magnet in place) confirmed this later theory and resulted in damping values of approximately 4 to 5% for the whole body modes. This report presents a brief description of dynamic testing emphasizing the specific test procedure used on the MFTF-A system. It also presents an interpretation of the damping mechanisms observed (material and geometric) based upon the spatial characteristics of the modal parameters
Structural fluctuation governed dynamic diradical character in pentacene.
Yang, Hongfang; Chen, Mengzhen; Song, Xinyu; Bu, Yuxiang
We unravel intriguing dynamical diradical behavior governed by structural fluctuation in pentacene using ab initio molecular dynamics simulation. In contrast to static equilibrium configuration of pentacene with a closed-shell ground state without diradical character, due to structural fluctuation, some of its dynamical snapshot configurations exhibit an open-shell broken-symmetry singlet ground state with diradical character, and such diradical character presents irregular pulsing behavior in time evolution. Not all structural changes can lead to diradical character, only those involving the shortening of cross-linking C-C bonds and variations of the C-C bonds in polyacetylene chains are the main contributors. This scenario about diradicalization is distinctly different from that in long acenes. The essence is that structural distortion cooperatively raises the HOMO and lowers the LUMO, efficiently reducing the HOMO-LUMO and singlet-triplet energy gaps, which facilitate the formation of a broken-symmetry open-shell singlet state. The irregular pulsing behavior originates from the mixing of normal vibrations in pentacene. This fascinating behavior suggests the potential application of pentacene as a suitable building block in the design of new electronic devices due to its magnetism-controllability through energy induction. This work provides new insight into inherent electronic property fluctuation in acenes.
Electronic structure and electron dynamics at Si(100)
Energy Technology Data Exchange (ETDEWEB)
Weinelt, M. [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Festkoerperphysik, Erlangen (Germany); Max-Born-Institut, Berlin (Germany); Kutschera, M.; Schmidt, R.; Orth, C.; Fauster, T. [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Festkoerperphysik, Erlangen (Germany); Rohlfing, M. [International University Bremen, School of Engineering and Science, P.O. Box 750 561, Bremen (Germany)
The electronic structure and electron dynamics at a Si(100) surface is studied by two-photon photoemission (2PPE). At 90 K the occupied D{sub up} dangling-bond state is located 150{+-}50 meV below the valence-band maximum (VBM) at the center of the surface Brillouin zone anti {gamma} and exhibits an effective hole mass of (0.5{+-}0.15)m{sub e}. The unoccupied D{sub down} band has a local minimum at anti {gamma} at 650{+-}50 meV above the VBM and shows strong dispersion along the dimer rows of the c(4 x 2) reconstructed surface. At 300 K the D{sub down} position shifts comparable to the Si conduction-band minimum by 40 meV to lower energies but the dispersion of the dangling-bond states is independent of temperature. The surface band bending for p-doped silicon is less than 30 meV, while acceptor-type defects cause significant and preparation-dependent band bending on n-doped samples. 2PPE spectra of Si(100) are dominated by interband transitions between the occupied and unoccupied surface states and emission out of transiently and permanently charged surface defects. Including electron-hole interaction in many-body calculations of the quasi-particle band structure leads us to assign a dangling-bond split-off state to a quasi-one-dimensional surface exciton with a binding energy of 130 meV. Electrons resonantly excited to the unoccupied D{sub down} dangling-bond band with an excess energy of about 350 meV need 1.5{+-}0.2 ps to scatter via phonon emission to the band bottom at anti {gamma} and relax within 5 ps with an excited hole in the occupied surface band to form an exciton living for nanoseconds. (orig.)
Non equilibrium effects in nuclear dynamics
Energy Technology Data Exchange (ETDEWEB)
Papa, M.; Arena, N.; Cardella, G.; Lanzano, G.; Filippo, E. de; Lanzalone, G.; Pagano, A.; Pirrone, S.; Politi, G. [Catania Univ., INFN Catania and Dipartimento di Fisica e Astronomia (Italy); Amorini, F.; Anzalone, A.; Bonasera, A.; Cavallaro, S.; Di Pietro, A.; Figuera, P.; Giustolisi, F.; Iacono Manno, M.; La Guidara, E.; Maiolino, C.; Porto, F.; Rizzo, F.; Sperduto, M.L. [Catania Univ., INFN-LNS and Dipartimento di Fisica e Astronomia (Italy); Auditore, L.; Trifiro, A.; Trimarchi, M. [Messina Univ., INFN and Dipartimento di Fisica (Italy)
A Constraint Molecular Dynamics (CoMD) approach is used to study dynamical effects related to both the average dynamics and the fluctuations around it. Data obtained in the REVERSE and in TRASMARAD experiments were compared with the theoretical simulations. The concept of temperature, as derived from a fully dynamical description of the GDR (giant dipole resonance) mode, is also discussed. In this contribution we have discussed the comparison between the CoMD model and two classes of phenomena, induced by heavy ion collisions. The first one is related to the IMF (intermediate mass fragment) production in semi-peripheral collisions for the {sup 124}Sn + {sup 64}Ni system at 35 MeV/nucleon. The comparison put in evidence clear preequilibrium effects in the fragment production mechanism which are essentially related to the behavior of the average dynamics. The second one concerns the high {gamma}-ray productions, due to dipolar resonant mechanisms, in the {sup 40}Ca + {sup 48}Ca system at 25 MeV/nucleon. In this case the comparisons with the model allows to put in evidence preequilibrium effects related both to the average dynamics and to the fluctuating one.
Dynamic interaction of components, structure, and foundation of nuclear power facilities
International Nuclear Information System (INIS)
Pajuhesh, J.; Hadjian, A.H.
A solution is formulated for the dynamic analysis of structures and components with different stiffness and damping characteristics, including the consideration of soil-structure interaction effects. Composite structures are often analysed approximately, in particular with regards to damping. For example, the reactor and other equipment in nuclear power plant structures are often analysed by assuming them uncoupled from the supporting structures. To achieve a better accuracy, the coupled system is hereby analysed as a composite component-structure-soil system. To demonstrate the assembly technique, two examples are considered: (a) a steel structure sitting on a concrete stem and linked by a steel bridge to another concrete structure, and (b) an actual model of a nuclear power plant containment structure. (Auth.)
Effect of Dynamic Meditation on Mental Health.
Iqbal, Naved; Singh, Archana; Aleem, Sheema
Although traditional meditation has been found to be effective in improving physical and mental health of subjects, there was a paucity of research of the effect of active or dynamic meditation on these variables. Therefore, the present study was aimed at studying the effect of dynamic meditation on mental health of the subjects. Total sample of the present study comprised 60 subjects, 30 each in experimental and control group. Subjects in experimental group were given 21-day training in dynamic meditation. Mental health of the experimental and control group subjects was measured in pre- and post-condition with the help of Mental Health Inventory developed by Jagadish and Srivastava (Mental Health inventory, Manovaigyanik Parikshan Sansthan, Varanasi, 1983). Obtained data were analyzed with the help of ANCOVA. In post-condition, experimental group scored better than control group on integration of personality, autonomy and environmental mastery. Effect sizes of dynamic meditation on these dimensions of mental health were large. However, experimental group and control group did not differ significantly on positive self-evaluation, perception of reality and group-oriented attitude dimensions of mental health in post-condition. Overall, dynamic meditation training was effective in improving mental health of the subjects.
Simulation and Experimental Investigation of Structural Dynamic Frequency Characteristics Control
Directory of Open Access Journals (Sweden)
Bing Li
Full Text Available In general, mechanical equipment such as cars, airplanes, and machine tools all operate with constant frequency characteristics. These constant working characteristics should be controlled if the dynamic performance of the equipment demands improvement or the dynamic characteristics is intended to change with different working conditions. Active control is a stable and beneficial method for this, but current active control methods mainly focus on vibration control for reducing the vibration amplitudes in the time domain or frequency domain. In this paper, a new method of dynamic frequency characteristics active control (DFCAC is presented for a flat plate, which can not only accomplish vibration control but also arbitrarily change the dynamic characteristics of the equipment. The proposed DFCAC algorithm is based on a neural network including two parts of the identification implement and the controller. The effectiveness of the DFCAC method is verified by several simulation and experiments, which provide desirable results.
IUTAM Symposium on Hamiltonian Dynamics, Vortex Structures, Turbulence
Borisov, Alexey V; Mamaev, Ivan S; Sokolovskiy, Mikhail A; IUTAM BOOKSERIES : Volume 6
This work brings together previously unpublished notes contributed by participants of the IUTAM Symposium on Hamiltonian Dynamics, Vortex Structures, Turbulence (Moscow, 25-30 August 2006). The study of vortex motion is of great interest to fluid and gas dynamics: since all real flows are vortical in nature, applications of the vortex theory are extremely diverse, many of them (e.g. aircraft dynamics, atmospheric and ocean phenomena) being especially important. The last few decades have shown that serious possibilities for progress in the research of real turbulent vortex motions are essentially related to the combined use of mathematical methods, computer simulation and laboratory experiments. These approaches have led to a series of interesting results which allow us to study these processes from new perspectives. Based on this principle, the papers collected in this proceedings volume present new results on theoretical and applied aspects of the processes of formation and evolution of various flows, wave a...
Population and evolutionary dynamics in spatially structured seasonally varying environments.
Reid, Jane M; Travis, Justin M J; Daunt, Francis; Burthe, Sarah J; Wanless, Sarah; Dytham, Calvin
Increasingly imperative objectives in ecology are to understand and forecast population dynamic and evolutionary responses to seasonal environmental variation and change. Such population and evolutionary dynamics result from immediate and lagged responses of all key life-history traits, and resulting demographic rates that affect population growth rate, to seasonal environmental conditions and population density. However, existing population dynamic and eco-evolutionary theory and models have not yet fully encompassed within-individual and among-individual variation, covariation, structure and heterogeneity, and ongoing evolution, in a critical life-history trait that allows individuals to respond to seasonal environmental conditions: seasonal migration. Meanwhile, empirical studies aided by new animal-tracking technologies are increasingly demonstrating substantial within-population variation in the occurrence and form of migration versus year-round residence, generating diverse forms of 'partial migration' spanning diverse species, habitats and spatial scales. Such partially migratory systems form a continuum between the extreme scenarios of full migration and full year-round residence, and are commonplace in nature. Here, we first review basic scenarios of partial migration and associated models designed to identify conditions that facilitate the maintenance of migratory polymorphism. We highlight that such models have been fundamental to the development of partial migration theory, but are spatially and demographically simplistic compared to the rich bodies of population dynamic theory and models that consider spatially structured populations with dispersal but no migration, or consider populations experiencing strong seasonality and full obligate migration. Second, to provide an overarching conceptual framework for spatio-temporal population dynamics, we define a 'partially migratory meta-population' system as a spatially structured set of locations that can
On the relationship between the dynamic behavior and nanoscale staggered structure of the bone
Qwamizadeh, Mahan; Zhang, Zuoqi; Zhou, Kun; Zhang, Yong Wei
Bone, a typical load-bearing biological material, composed of ordinary base materials such as organic protein and inorganic mineral arranged in a hierarchical architecture, exhibits extraordinary mechanical properties. Up to now, most of previous studies focused on its mechanical properties under static loading. However, failure of the bone occurs often under dynamic loading. An interesting question is: Are the structural sizes and layouts of the bone related or even adapted to the functionalities demanded by its dynamic performance? In the present work, systematic finite element analysis was performed on the dynamic response of nanoscale bone structures under dynamic loading. It was found that for a fixed mineral volume fraction and unit cell area, there exists a nanoscale staggered structure at some specific feature size and layout which exhibits the fastest attenuation of stress waves. Remarkably, these specific feature sizes and layouts are in excellent agreement with those experimentally observed in the bone at the same scale, indicating that the structural size and layout of the bone at the nanoscale are evolutionarily adapted to its dynamic behavior. The present work points out the importance of dynamic effect on the biological evolution of load-bearing biological materials.
Excited State Structural Dynamics of Carotenoids and Charge Transfer Systems
International Nuclear Information System (INIS)
Van Tassle, Aaron Justin
This dissertation describes the development and implementation of a visible/near infrared pump/mid-infrared probe apparatus. Chapter 1 describes the background and motivation of investigating optically induced structural dynamics, paying specific attention to solvation and the excitation selection rules of highly symmetric molecules such as carotenoids. Chapter 2 describes the development and construction of the experimental apparatus used throughout the remainder of this dissertation. Chapter 3 will discuss the investigation of DCM, a laser dye with a fluorescence signal resulting from a charge transfer state. By studying the dynamics of DCM and of its methyl deuterated isotopomer (an otherwise identical molecule), we are able to investigate the origins of the charge transfer state and provide evidence that it is of the controversial twisted intramolecular (TICT) type. Chapter 4 introduces the use of two-photon excitation to the S1 state, combined with one-photon excitation to the S2 state of the carotenoid beta-apo-8'-carotenal. These 2 investigations show evidence for the formation of solitons, previously unobserved in molecular systems and found only in conducting polymers Chapter 5 presents an investigation of the excited state dynamics of peridinin, the carotenoid responsible for the light harvesting of dinoflagellates. This investigation allows for a more detailed understanding of the importance of structural dynamics of carotenoids in light harvesting
Differentiable dynamical systems an introduction to structural stability and hyperbolicity
Wen, Lan
This is a graduate text in differentiable dynamical systems. It focuses on structural stability and hyperbolicity, a topic that is central to the field. Starting with the basic concepts of dynamical systems, analyzing the historic systems of the Smale horseshoe, Anosov toral automorphisms, and the solenoid attractor, the book develops the hyperbolic theory first for hyperbolic fixed points and then for general hyperbolic sets. The problems of stable manifolds, structural stability, and shadowing property are investigated, which lead to a highlight of the book, the \\Omega-stability theorem of Smale. While the content is rather standard, a key objective of the book is to present a thorough treatment for some tough material that has remained an obstacle to teaching and learning the subject matter. The treatment is straightforward and hence could be particularly suitable for self-study. Selected solutions are available electronically for instructors only. Please send email to email@example.com for more informatio...
Ultrafast Dynamic Pressure Sensors Based on Graphene Hybrid Structure.
Liu, Shanbiao; Wu, Xing; Zhang, Dongdong; Guo, Congwei; Wang, Peng; Hu, Weida; Li, Xinming; Zhou, Xiaofeng; Xu, Hejun; Luo, Chen; Zhang, Jian; Chu, Junhao
Mechanical flexible electronic skin has been focused on sensing various physical parameters, such as pressure and temperature. The studies of material design and array-accessible devices are the building blocks of strain sensors for subtle pressure sensing. Here, we report a new and facile preparation of a graphene hybrid structure with an ultrafast dynamic pressure response. Graphene oxide nanosheets are used as a surfactant to prevent graphene restacking in aqueous solution. This graphene hybrid structure exhibits a frequency-independent pressure resistive sensing property. Exceeding natural skin, such pressure sensors, can provide transient responses from static up to 10 000 Hz dynamic frequencies. Integrated by the controlling system, the array-accessible sensors can manipulate a robot arm and self-rectify the temperature of a heating blanket. This may pave a path toward the future application of graphene-based wearable electronics.
Musical structure analysis using similarity matrix and dynamic programming
Shiu, Yu; Jeong, Hong; Kuo, C.-C. Jay
Automatic music segmentation and structure analysis from audio waveforms based on a three-level hierarchy is examined in this research, where the three-level hierarchy includes notes, measures and parts. The pitch class profile (PCP) feature is first extracted at the note level. Then, a similarity matrix is constructed at the measure level, where a dynamic time warping (DTW) technique is used to enhance the similarity computation by taking the temporal distortion of similar audio segments into account. By processing the similarity matrix, we can obtain a coarse-grain music segmentation result. Finally, dynamic programming is applied to the coarse-grain segments so that a song can be decomposed into several major parts such as intro, verse, chorus, bridge and outro. The performance of the proposed music structure analysis system is demonstrated for pop and rock music.
Integrative Analysis of Metabolic Models – from Structure to Dynamics
Energy Technology Data Exchange (ETDEWEB)
Hartmann, Anja, E-mail: firstname.lastname@example.com [Leibniz Institute of Plant Genetics and Crop Plant Research (IPK), Gatersleben (Germany); Schreiber, Falk [Monash University, Melbourne, VIC (Australia); Martin-Luther-University Halle-Wittenberg, Halle (Germany)
The characterization of biological systems with respect to their behavior and functionality based on versatile biochemical interactions is a major challenge. To understand these complex mechanisms at systems level modeling approaches are investigated. Different modeling formalisms allow metabolic models to be analyzed depending on the question to be solved, the biochemical knowledge and the availability of experimental data. Here, we describe a method for an integrative analysis of the structure and dynamics represented by qualitative and quantitative metabolic models. Using various formalisms, the metabolic model is analyzed from different perspectives. Determined structural and dynamic properties are visualized in the context of the metabolic model. Interaction techniques allow the exploration and visual analysis thereby leading to a broader understanding of the behavior and functionality of the underlying biological system. The System Biology Metabolic Model Framework (SBM{sup 2} – Framework) implements the developed method and, as an example, is applied for the integrative analysis of the crop plant potato.
A general modeling framework for describing spatially structured population dynamics
Sample, Christine; Fryxell, John; Bieri, Joanna; Federico, Paula; Earl, Julia; Wiederholt, Ruscena; Mattsson, Brady; Flockhart, Tyler; Nicol, Sam; Diffendorfer, James E.; Thogmartin, Wayne E.; Erickson, Richard A.; Norris, D. Ryan
Variation in movement across time and space fundamentally shapes the abundance and distribution of populations. Although a variety of approaches model structured population dynamics, they are limited to specific types of spatially structured populations and lack a unifying framework. Here, we propose a unified network-based framework sufficiently novel in its flexibility to capture a wide variety of spatiotemporal processes including metapopulations and a range of migratory patterns. It can accommodate different kinds of age structures, forms of population growth, dispersal, nomadism and migration, and alternative life-history strategies. Our objective was to link three general elements common to all spatially structured populations (space, time and movement) under a single mathematical framework. To do this, we adopt a network modeling approach. The spatial structure of a population is represented by a weighted and directed network. Each node and each edge has a set of attributes which vary through time. The dynamics of our network-based population is modeled with discrete time steps. Using both theoretical and real-world examples, we show how common elements recur across species with disparate movement strategies and how they can be combined under a unified mathematical framework. We illustrate how metapopulations, various migratory patterns, and nomadism can be represented with this modeling approach. We also apply our network-based framework to four organisms spanning a wide range of life histories, movement patterns, and carrying capacities. General computer code to implement our framework is provided, which can be applied to almost any spatially structured population. This framework contributes to our theoretical understanding of population dynamics and has practical management applications, including understanding the impact of perturbations on population size, distribution, and movement patterns. By working within a common framework, there is less chance
Effective mass and damping of submerged structures
International Nuclear Information System (INIS)
Dong, R.G.
A number of structures important for safety in nuclear power plants are submerged in water. These include spent fuel storage racks, main pressure relief valve lines, and internal structures in the reactor vessel. Dynamic analyses of such structures must include the force and damping effects of water. A wide variety of modeling assumptions are being used in design analyses, and currently there are no uniform positions by which to judge the adequacy of the assumptions . A study was caried out to establish a technical basis for evaluating the assymptions and to recommend suitable methods to describe the effects of the water. The results of the study were based on information published in the literature or conveyed by industrial firms. A survey of 32 firms and 49 technical references was carried out. Heavy emphasis was placed on validating the results with available experimental data. The information collected apply generally to idealized structures such as single isolated members, arrays of members and coaxial cylinders. The results of the study are categorized with respect to such idealized structures, and the applicability to actual reactor structures was discussed through observations and recommendations. (orig.)
Adaptive control of structural balance for complex dynamical networks based on dynamic coupling of nodes
Gao, Zilin; Wang, Yinhe; Zhang, Lili
In the existing research results of the complex dynamical networks controlled, the controllers are mainly used to guarantee the synchronization or stabilization of the nodes' state, and the terms coupled with connection relationships may affect the behaviors of nodes, this obviously ignores the dynamic common behavior of the connection relationships between the nodes. In fact, from the point of view of large-scale system, a complex dynamical network can be regarded to be composed of two time-varying dynamic subsystems, which can be called the nodes subsystem and the connection relationships subsystem, respectively. Similar to the synchronization or stabilization of the nodes subsystem, some characteristic phenomena can be also emerged in the connection relationships subsystem. For example, the structural balance in the social networks and the synaptic facilitation in the biological neural networks. This paper focuses on the structural balance in dynamic complex networks. Generally speaking, the state of the connection relationships subsystem is difficult to be measured accurately in practical applications, and thus it is not easy to implant the controller directly into the connection relationships subsystem. It is noted that the nodes subsystem and the relationships subsystem are mutually coupled, which implies that the state of the connection relationships subsystem can be affected by the controllable state of nodes subsystem. Inspired by this observation, by using the structural balance theory of triad, the controller with the parameter adaptive law is proposed for the nodes subsystem in this paper, which may ensure the connection relationship matrix to approximate a given structural balance matrix in the sense of the uniformly ultimately bounded (UUB). That is, the structural balance may be obtained by employing the controlling state of the nodes subsystem. Finally, the simulations are used to show the validity of the method in this paper.
Direct Integration of Dynamic Emissive Displays into Knitted Fabric Structures
Bellingham, Alyssa
electroluminescence that occur where the conductive fibers contact the EL fibers. A passive matrix addressing scheme was used to apply a voltage to each pixel individually, creating a display capable of dynamically communicating information. Optical measurements of the intensity and color of emitted light were used to quantify the performance of the display and compare it to state-of-the-art display technologies. The charge-voltage (Q-V) electrical characterization technique is used to gain information about the ACPEL fiber device operation, and mechanical tests were performed to determine the effect everyday wear and tear would have on the performance of the display. The presented textile display structure and method of producing fibers with individual sections of electroluminescence addresses the shortcomings in existing textile display technology and provides a route to directly integrated communicative textiles for applications ranging from biomedical research and monitoring to fashion. An extensive discussion of the materials and methods of production needed to scale this textile display technology and incorporate it into wearable applications is presented.
Spectroscopic Tools for Quantitative Studies of DNA Structure and Dynamics
DEFF Research Database (Denmark)
Preus, Søren
The main objective of this thesis is to develop quantitative fluorescence-based, spectroscopic tools for probing the 3D structure and dynamics of DNA and RNA. The thesis is founded on six peer-reviewed papers covering mainly the development, characterization and use of fluorescent nucleobase...... analogues. In addition, four software packages is presented for the simulation and quantitative analysis of time-resolved and steady-state UV-Vis absorption and fluorescence experiments....
Yaw control for active damping of structural dynamics
Energy Technology Data Exchange (ETDEWEB)
Ekelund, T. [Chalmers Univ. of Technology, Goeteborg (Sweden). Control Engineering Lab.
Yaw torque control for reduction of structural dynamic loads in a two-bladed wind turbine is investigated. The models are obtained using rigid-body mechanics. Linear quadratic control theory is utilized for design and analysis. The analysis of two simple examples, where the teeter angle and the tower lateral bending motion are regarded, shows that a time-varying controller has some advantages compared with a time-invariant controller. 6 refs, 9 figs
Sierra Structural Dynamics User's Notes
Energy Technology Data Exchange (ETDEWEB)
Reese, Garth M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of weapons systems. This document provides a users guide to the input for Sierra/SD. Details of input specifications for the different solution types, output options, element types and parameters are included. The appendices contain detailed examples, and instructions for running the software on parallel platforms.
Feedback Linearized Aircraft Control Using Dynamic Cell Structure
Jorgensen, C. C.
A Dynamic Cell Structure (DCS ) Neural Network was developed which learns a topology representing network (TRN) of F-15 aircraft aerodynamic stability and control derivatives. The network is combined with a feedback linearized tracking controller to produce a robust control architecture capable of handling multiple accident and off-nominal flight scenarios. This paper describes network and its performance for accident scenarios including differential stabilator lock, soft sensor failure, control, stability derivative variation, and turbulence.
Control of Spin Wave Dynamics in Spatially Twisted Magnetic Structures
control the spin wave dynamics of magnetic structures twisted spatially, we prepared the exchange-coupled films with the hard magnetic L10-FePt and...information writing of magnetic storage and spintronic applications. Introduction and Objective: Recent rapid progress in the research field of nano...scaled bilayer elements is also an important aim of this project. Approach/Method: The exchange-coupled films with the hard magnetic L10-FePt and
Doublet vs. FODO structure: beam dynamics and layout
Eshraqi, M; CERN. Geneva. BE Department
A FoDo (singlet) structure is designed for the CERN Superconducting Proton LINAC. This architecture is compared to the baseline (doublet) architecture of SPL on the basis of its beam dynamics performance and the required investment. The sensitivity of both layouts to quadrupole gradient errors and misalignment is checked and a correction scheme for beam steering is proposed. Finally a single quad beam dilution scheme is studied and designed for the pilot beam dump.
Dynamic Capital Structure with Callable Debt and Debt Renegotiations
DEFF Research Database (Denmark)
Christensen, Peter Ove; Flor, Christian Riis; Lando, David
We consider a dynamic trade-off model of a firm's capital structure with debt renegotiation. Debt holders only accept restructuring offers from equity holders backed by threats which are in the equity holders' own interest to execute. Our model shows that in a complete information model in which...... taxes and bankruptcy costs are the only frictions, violations of the absolute priority rule (APR) are typically optimal. The size of the bankruptcy costs and the equity holders' bargaining power affect the size of APR violations, but they have only a minor impact on the choice of capital structure....
Map updates in a dynamic Voronoi data structure
DEFF Research Database (Denmark)
Mioc, Darka; Antón Castro, Francesc/François; Gold, C. M.
In this paper we are using local and sequential map updates in the Voronoi data structure, which allows us to automatically record each event and performed map updates within the system. These map updates are executed through map construction commands that are composed of atomic actions (geometric...... algorithms for addition, deletion, and motion of spatial objects) on the dynamic Voronoi data structure. The formalization of map commands led to the development of a spatial language comprising a set of atomic operations or constructs on spatial primitives (points and lines), powerful enough to define...
Dynamic soil-structure interaction of monopod and polypod foundations
DEFF Research Database (Denmark)
Andersen, Lars Vabbersgaard
within the time domain, frequency-independent lumped-parameter models are developed. The paper proposes a decision criterion for determination of which components must be included within a lumped-parameter model in order to account for the structure–soil–structure interaction in an adequate and efficient......The paper concerns the importance of through–soil coupling for structures having foundations with more footings. First, a model for dynamic analysis of polypod footings is established in the frequency domain, employing Green's function for wave propagation in a layered half-space. To allow analysis...
Dynamic calculation of structures in seismic zones. 2. ed.
International Nuclear Information System (INIS)
Capra, Alain; Davidovici, Victor
The aims of this book are both didactic and practical. It is therefore addressed to both experienced engineers and students. Some general information about earthquakes and their occurrence is first given. The problem of a simple oscillator is presented. In this way, the reader is provided with an insight into undestanding the dynamic phenomena taking place and is introduced to the concept of response spectra and to an intuitive comprehension of the behavior of structures during earthquakes. The next chapter is devoted to the cases most frequently encountered with multiple oscillator structures. Theoretical studies are based on the usual modal decomposition method. The various practical methods of calculation employed are then examined, emphasis being given to the various different stages involved and to which of them is the best suited for a particular type of structure. Advise is given on how to select the model whose behavior best describes the real structure, both manual and computer methods of calculation being envisaged [fr
Dynamic Changes in Sarcoplasmic Reticulum Structure in Ventricular Myocytes
Directory of Open Access Journals (Sweden)
Amanda L. Vega
sarcoplasmic reticulum (SR and the sarcolemma where Ca2+ release is activated. Here, we tested the hypothesis that the SR is a structurally inert organelle in ventricular myocytes. Our data suggest that rather than being static, the SR undergoes frequent dynamic structural changes. SR boutons expressing functional ryanodine receptors moved throughout the cell, approaching or moving away from the sarcolemma of ventricular myocytes. These changes in SR structure occurred in the absence of changes in [Ca2+] during EC coupling. Microtubules and the molecular motors dynein and kinesin 1(Kif5b were important regulators of SR motility. These findings support a model in which the SR is a motile organelle capable of molecular motor protein-driven structural changes.
Dynamic testing of nuclear power plant structures: an evaluation
International Nuclear Information System (INIS)
Weaver, H.J.
Lawrence Livermore Laboratory (LLL) evaluated the applications of system identification techniques to the dynamic testing of nuclear power plant structures and subsystems. These experimental techniques involve exciting a structure and measuring, digitizing, and processing the time-history motions that result. The data can be compared to parameters calculated using finite element or other models of the test systems to validate the model and to verify the seismic analysis. This report summarizes work in three main areas: (1) analytical qualification of a set of computer programs developed at LLL to extract model parameters from the time histories; (2) examination of the feasibility of safely exciting nuclear power plant structures and accurately recording the resulting time-history motions; (3) study of how the model parameters that are extracted from the data be used best to evaluate structural integrity and analyze nuclear power plants
Recent Advances in Heliogyro Solar Sail Structural Dynamics, Stability, and Control Research
Wilkie, W. Keats; Warren, Jerry E.; Horta, Lucas G.; Lyle, Karen H.; Juang, Jer-Nan; Gibbs, S. Chad; Dowell, Earl H.; Guerrant, Daniel V.; Lawrence, Dale
Results from recent NASA sponsored research on the structural dynamics, stability, and control characteristics of heliogyro solar sails are summarized. Specific areas under investigation include coupled nonlinear finite element analysis of heliogyro membrane blade with solar radiation pressure effects, system identification of spinning membrane structures, and solarelastic stability analysis of heliogyro solar sails, including stability during blade deployment. Recent results from terrestrial 1-g blade dynamics and control experiments on "rope ladder" membrane blade analogs, and small-scale in vacuo system identification experiments with hanging and spinning high-aspect ratio membranes will also be presented. A low-cost, rideshare payload heliogyro technology demonstration mission concept is used as a mission context for these heliogyro structural dynamics and solarelasticity investigations, and is also described. Blade torsional dynamic response and control are also shown to be significantly improved through the use of edge stiffening structural features or inclusion of modest tip masses to increase centrifugal stiffening of the blade structure. An output-only system identification procedure suitable for on-orbit blade dynamics investigations is also developed and validated using ground tests of spinning sub-scale heliogyro blade models. Overall, analytical and experimental investigations to date indicate no intractable stability or control issues for the heliogyro solar sail concept.
Protic ammonium carboxylate ionic liquids: insight into structure, dynamics and thermophysical properties by alkyl group functionalization.
Reddy, Th Dhileep N; Mallik, Bhabani S
This study is aimed at characterising the structure, dynamics and thermophysical properties of five alkylammonium carboxylate ionic liquids (ILs) from classical molecular dynamics simulations. The structural features of these ILs were characterised by calculating the site-site radial distribution functions, g(r), spatial distribution functions and structure factors. The structural properties demonstrate that ILs show greater interaction between cations and anions when alkyl chain length increases on the cation or anion. In all ILs, spatial distribution functions show that the anion is close to the acidic hydrogen atoms of the ammonium cation. We determined the role of alkyl group functionalization of the charged entities, cations and anions, in the dynamical behavior and the transport coefficients of this family of ionic liquids. The dynamics of ILs are described by studying the mean square displacement (MSD) of the centres of mass of the ions, diffusion coefficients, ionic conductivities and hydrogen bonds as well as residence dynamics. The diffusion coefficients and ionic conductivity decrease with an increase in the size of the cation or anion. The effect of alkyl chain length on ionic conductivity calculated in this article is consistent with the findings of other experimental studies. Hydrogen bond lifetimes and residence times along with structure factors were also calculated, and are related to alkyl chain length.
Structures and dynamics in a two-dimensional dipolar dust particle system
Hou, X. N.; Liu, Y. H.; Kravchenko, O. V.; Lapushkina, T. A.; Azarova, O. A.; Chen, Z. Y.; Huang, F.
The effects of electric dipole moment, the number of dipolar particles, and system temperature on the structures and dynamics of a dipolar dust particle system are studied by molecular dynamics simulations. The results show that the larger electric dipole moment is favorable for the formation of a long-chain structure, the larger number of dipolar dust particles promotes the formation of the multi-chain structure, and the higher system temperature can cause higher rotation frequency. The trajectories, mean square displacement (MSD), and the corresponding spectrum functions of the MSDs are also calculated to illustrate the dynamics of the dipolar dust particle system, which is also closely related to the growth of dust particles. Some simulations are qualitatively in agreement with our experiments and can provide a guide for the study on dust growth, especially on the large-sized particles.
Stress, strain, and structural dynamics an interactive handbook of formulas, solutions, and Matlab toolboxes
Yang, Bingen
Stress, Strain, and Structural Dynamics is a comprehensive and definitive reference to statics and dynamics of solids and structures, including mechanics of materials, structural mechanics, elasticity, rigid-body dynamics, vibrations, structural dynamics, and structural controls. This text integrates the development of fundamental theories, formulas and mathematical models with user-friendly interactive computer programs, written in the powerful and popular MATLAB. This unique merger of technical referencing and interactive computing allows instant solution of a variety of engineering problems
Structure identification and adaptive synchronization of uncertain general complex dynamical networks
Energy Technology Data Exchange (ETDEWEB)
Xu Yuhua, E-mail: firstname.lastname@example.com [College of Information Science and Technology, Donghua University, Shanghai 201620 (China) and Department of Maths, Yunyang Teacher' s College, Hubei 442000 (China); Zhou Wuneng, E-mail: email@example.com [College of Information Science and Technology, Donghua University, Shanghai 201620 (China); Fang Jian' an [College of Information Science and Technology, Donghua University, Shanghai 201620 (China); Lu Hongqian [Shandong Institute of Light Industry, Shandong Jinan 250353 (China)
This Letter proposes an approach to identify the topological structure and unknown parameters for uncertain general complex networks simultaneously. By designing effective adaptive controllers, we achieve synchronization between two complex networks. The unknown network topological structure and system parameters of uncertain general complex dynamical networks are identified simultaneously in the process of synchronization. Several useful criteria for synchronization are given. Finally, an illustrative example is presented to demonstrate the application of the theoretical results.
Structure identification and adaptive synchronization of uncertain general complex dynamical networks
International Nuclear Information System (INIS)
Xu Yuhua; Zhou Wuneng; Fang Jian'an; Lu Hongqian
This Letter proposes an approach to identify the topological structure and unknown parameters for uncertain general complex networks simultaneously. By designing effective adaptive controllers, we achieve synchronization between two complex networks. The unknown network topological structure and system parameters of uncertain general complex dynamical networks are identified simultaneously in the process of synchronization. Several useful criteria for synchronization are given. Finally, an illustrative example is presented to demonstrate the application of the theoretical results.
Directory of Open Access Journals (Sweden)
Petrova Irina Yur'evna
Full Text Available Subject: automation of calculation of dynamic characteristics of the device being designed in the system of conceptual design of sensor equipment, structurally-parametric models of dynamic processes and algorithms for the automated calculation of the qualitative characteristics of elements of the information-measuring and control systems (IMCS. The stage of conceptual design most fully determines the operational characteristics of technical systems. However, none of the information support systems of this stage provides an opportunity to evaluate the performance characteristics of the element being designed taking into account its dynamic characteristics. Research objectives: increasing the effectiveness of the evaluation of dynamic characteristics of sensitive elements of the information-measuring and control systems of a smart house. Materials and methods: when solving the problems posed, the mathematical apparatus of system modeling was used (in particular, the energy-information method of modeling processes of various physical nature that occur in the sensor equipment; the main provisions of the theory of automatic control, the theory of constructing computer-aided design systems, the theory of operational calculus; basics of conceptual design of elements of the information-measuring and control systems. Results: we compared the known automated systems for conceptual design of sensors, highlighted their advantages and disadvantages and we showed that none of these systems allows us to investigate dynamic characteristics of the element being designed in a simple and understandable for engineer form. The authors proposed using energy-information method of modeling for the synthesis of operation principles of sensors and analysis of their dynamic characteristics. We considered elementary dynamic chains and issues of synthesis of parametrical structural schemes that reflect the dynamics of the process with the use of mathematical apparatus of
Structure and Dynamics of Polymers in Cylindrical Nanoconfinement: A Molecular Dynamics Study
Pressly, James; Riggleman, Robert; Winey, Karen
The structure and dynamics of polymers under nanoconfinement is critical for understanding how polymers behave in applications from hydraulic fracking to fabricating integrated circuits. We previously used simulations to explore the effect of the diameter of cylindrical pores (d = 10-40 σ, where σ is the unit length in reduced units) on polymer end-to-end distance (Ree,perp, Ree,par) , entanglement density, melt diffusion coefficient (D), and local relaxation time (τperp, τpar) at fixed polymer chain length (N = 350). These studies found D, Ree,par, and τperp increased with increasing confinement while entanglement density, Ree,perp, and τpar decreased. Experiments also found that D increased but to a lesser extent. Here, we examine the molecular weight dependence of these properties using N = 25, 50, 100, 200, 350, and 500 confined to pores of diameter 14 σ to examine a range of confinements. Our preliminary results show that as N increases D and Ree,par, increase as well, relative to the unconfined state, while entanglement density and Ree,perp decrease, consistent with our previous work. Interestingly, τ is shown to be independent of chain length indicating the impact of confinement imposed by reducing pore diameter is distinct from that imposed by increasing chain length.
Accuracy Enhanced Stability and Structure Preserving Model Reduction Technique for Dynamical Systems with Second Order Structure
DEFF Research Database (Denmark)
Tahavori, Maryamsadat; Shaker, Hamid Reza
A method for model reduction of dynamical systems with the second order structure is proposed in this paper. The proposed technique preserves the second order structure of the system, and also preserves the stability of the original systems. The method uses the controllability and observability...... gramians within the time interval to build the appropriate Petrov-Galerkin projection for dynamical systems within the time interval of interest. The bound on approximation error is also derived. The numerical results are compared with the counterparts from other techniques. The results confirm...
The effect of organizational structure on innovation capacity in ...
African Journals Online (AJOL)
The effect of organizational structure on innovation capacity in Moroccan ... in management sciences shows that the construct of innovation constitutes a major ... work on entrepreneurial orientation, the ability to launch new products or services. ... organizational structure plays a central role in the development of a dynamic ...
A Molecular Dynamics Study of the Structural and Dynamical Properties of Putative Arsenic Substituted Lipid Bilayers
Directory of Open Access Journals (Sweden)
Ratna Juwita
Full Text Available Cell membranes are composed mainly of phospholipids which are in turn, composed of five major chemical elements: carbon, hydrogen, nitrogen, oxygen, and phosphorus. Recent studies have suggested the possibility of sustaining life if the phosphorus is substituted by arsenic. Although this issue is still controversial, it is of interest to investigate the properties of arsenated-lipid bilayers to evaluate this possibility. In this study, we simulated arsenated-lipid, 1-palmitoyl-2-oleoyl-sn-glycero-3-arsenocholine (POAC, lipid bilayers using all-atom molecular dynamics to understand basic structural and dynamical properties, in particular, the differences from analogous 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, (POPC lipid bilayers. Our simulations showed that POAC lipid bilayers have distinct structural and dynamical properties from those of native POPC lipid bilayers. Relative to POPC lipid bilayers, POAC lipid bilayers have a more compact structure with smaller lateral areas and greater order. The compact structure of POAC lipid bilayers is due to the fact that more inter-lipid salt bridges are formed with arsenate-choline compared to the phosphate-choline of POPC lipid bilayers. These inter-lipid salt bridges bind POAC lipids together and also slow down the head group rotation and lateral diffusion of POAC lipids. Thus, it would be anticipated that POAC and POPC lipid bilayers would have different biological implications.
Structure and Dynamics of Urea/Water Mixtures Investigated by Vibrational Spectroscopy and Molecular Dynamics Simulation
Carr, J. K.; Buchanan, L. E.; Schmidt, J. R.; Zanni, M. T.; Skinner, J. L.
Urea/water is an archetypical "biological" mixture, and is especially well known for its relevance to protein thermodynamics, as urea acts as a protein denaturant at high concentration. This behavior has given rise to an extended debate concerning urea's influence on water structure. Based on a variety of methods and of definitions of water structure, urea has been variously described as a structure-breaker, a structure-maker, or as remarkably neutral towards water. Because of its sensitivity to microscopic structure and dynamics, vibrational spectroscopy can help resolve these debates. We report experimental and theoretical spectroscopic results for the OD stretch of HOD/H2O/urea mixtures (linear IR, 2DIR, and pump-probe anisotropy decay) and for the CO stretch of urea-D4/D2O mixtures (linear IR only). Theoretical results are obtained using existing approaches for water, and a modification of a frequency map developed for acetamide. All absorption spectra are remarkably insensitive to urea concentration, consistent with the idea that urea only very weakly perturbs water structure. Both this work and experiments by Rezus and Bakker, however, show that water's rotational dynamics are slowed down by urea. Analysis of the simulations casts doubt on the suggestion that urea immobilizes particular doubly hydrogen bonded water molecules. PMID:23841646
Seismic Dynamic Damage Characteristics of Vertical and Batter Pile-supported Wharf Structure Systems
Directory of Open Access Journals (Sweden)
Li Jiren
Full Text Available Considering a typical steel pipe pile-supported wharf as the research object, finite element analytical models of batter and vertical pile structures were established under the same construction site, service, and geological conditions to investigate the seismic dynamic damage characteristics of vertical and batter pile-supported wharf structures. By the numerical simulation and the nonlinear time history response analysis of structure system and the moment–axial force relation curve, we analyzed the dynamic damage characteristics of the two different structures of batter and vertical piles under different seismic ground motions to provide reasonable basis and reference for designing and selecting a pile-supported wharf structure. Results showed that the axial force of batter piles was dominant in the batter pile structure and that batter piles could effectively bear and share seismic load. Under the seismic ground motion with peak ground acceleration (PGA of 350 Gal and in consideration of the factors of the design requirement of horizontal displacement, the seismic performance of the batter pile structure was better than that of the vertical pile structure. Under the seismic ground motion with a PGA of 1000 Gal, plastic failure occurred in two different structures. The contrastive analysis of the development of plastic damage and the absorption and dissipation for seismic energy indicated that the seismic performance of the vertical pile structure was better than that of the batter pile structure.
Structure and dynamics of interfacial water. Role of hydratation water in the globular proteins dynamics
International Nuclear Information System (INIS)
Zanotti, J.M.
This memoir includes five chapters. In the first chapter, are given the elements of the neutrons scattering theory that is used in this study. the second chapter is devoted to a general presentation of the interaction between biological macro molecule and water. The third part is dedicated to the study of the structure and the dynamics of interfacial water in the neighbouring of model systems, the vycor and the amorphous carbon. The results presented in this part are compared with these one relative to water dynamics at the C-phycocyanin surface. This study makes the object of the fourth chapter. Then, in the fifth and last chapter are discussed the results relative to the role of hydratation on the parv-albumin dynamics for which have been combined the neutron quasi elastic incoherent scattering and the nuclear magnetic resonance of the carbon 13 solid in natural abundance
Testing the Lag Structure of Assets' Realized Volatility Dynamics
Directory of Open Access Journals (Sweden)
Francesco Audrino
Full Text Available A (conservative test is applied to investigate the optimal lag structure for modelingrealized volatility dynamics. The testing procedure relies on the recent theoretical results that showthe ability of the adaptive least absolute shrinkage and selection operator (adaptive lasso to combinee cient parameter estimation, variable selection, and valid inference for time series processes. In anapplication to several constituents of the S&P 500 index it is shown that (i the optimal significantlag structure is time-varying and subject to drastic regime shifts that seem to happen across assetssimultaneously; (ii in many cases the relevant information for prediction is included in the first 22lags, corroborating previous results concerning the accuracy and the diffculty of outperforming outof-sample the heterogeneous autoregressive (HAR model; and (iii some common features of theoptimal lag structure can be identified across assets belonging to the same market segment or showinga similar beta with respect to the market index.
Optical Fibres Contactless Sensor for Dynamic Testing of Lightweight Structures
Directory of Open Access Journals (Sweden)
L. Bregant
Full Text Available With dynamic testing, engineers describe activities focused on the identification of some properties of vibrating structures. This step requires for the measurements of excitations and responses signals, applying appropriate sensors directly on the test article. These instruments modify the system's mass and stiffness distributions and eventually the eigen-properties of the structure. These errors become unacceptable especially when testing lightweight structures. This paper shows the results of some tests performed on a small compressor with the purpose of identifying the blades' natural frequencies and modes. It compares the acquisitions performed with standard accelerometers and two different contact-less systems using as exciters either a micro-hammer or a micro inertial shaker. The paper shows how the contact-less sensors provide good quality data and consistent results in the mode identification phase.
Fouling Kinetics and Associated Dynamics of Structural Modifications
DEFF Research Database (Denmark)
Jacob, Jerome; Prádanos, Pedro; Calvo, J. I.
It is shown that the fouling behaviour of microfiltration membranes does not agree within all the time ranges of any of the commonly used membrane blocking models (i.e. complete, standard, intermediate or cake blocking). The resulting experimental kinetics of flux decline do not fit to only one...... of these models, but according to a successive or simultaneous coexistence of two or more of them. This is studied by analysing the structural modifications associated with the fouling kinetics. To achieve this goal, here we analyse the dynamical changes on the structure of four microporous membranes made...... by Sartorius (ST02 and ST045, neutral) and Spectrum (SP02 and SP045, positively charged) when fouled by permeating a protein aqueous solution (bovine serum albumin (BSA) at 1 g l(-1)) under 10 kPa in a dead-end device. The structure after different fouling times is obtained by using an extended bubble point...
Mapping the structural and dynamical features of kinesin motor domains.
Directory of Open Access Journals (Sweden)
Guido Scarabelli
Full Text Available Kinesin motor proteins drive intracellular transport by coupling ATP hydrolysis to conformational changes that mediate directed movement along microtubules. Characterizing these distinct conformations and their interconversion mechanism is essential to determining an atomic-level model of kinesin action. Here we report a comprehensive principal component analysis of 114 experimental structures along with the results of conventional and accelerated molecular dynamics simulations that together map the structural dynamics of the kinesin motor domain. All experimental structures were found to reside in one of three distinct conformational clusters (ATP-like, ADP-like and Eg5 inhibitor-bound. These groups differ in the orientation of key functional elements, most notably the microtubule binding α4-α5, loop8 subdomain and α2b-β4-β6-β7 motor domain tip. Group membership was found not to correlate with the nature of the bound nucleotide in a given structure. However, groupings were coincident with distinct neck-linker orientations. Accelerated molecular dynamics simulations of ATP, ADP and nucleotide free Eg5 indicate that all three nucleotide states could sample the major crystallographically observed conformations. Differences in the dynamic coupling of distal sites were also evident. In multiple ATP bound simulations, the neck-linker, loop8 and the α4-α5 subdomain display correlated motions that are absent in ADP bound simulations. Further dissection of these couplings provides evidence for a network of dynamic communication between the active site, microtubule-binding interface and neck-linker via loop7 and loop13. Additional simulations indicate that the mutations G325A and G326A in loop13 reduce the flexibility of these regions and disrupt their couplings. Our combined results indicate that the reported ATP and ADP-like conformations of kinesin are intrinsically accessible regardless of nucleotide state and support a model where neck
Dynamico-FE: A Structure-Preserving Hydrostatic Dynamical Core
Eldred, Christopher; Dubos, Thomas; Kritsikis, Evaggelos
It is well known that the inviscid, adiabatic equations of atmospheric motion constitute a non-canonical Hamiltonian system, and therefore posses many important conserved quantities such as as mass, potential vorticity and total energy. In addition, there are also key mimetic properties (such as curl grad = 0) of the underlying continuous vector calculus. Ideally, a dynamical core should have similar properties. A general approach to deriving such structure-preserving numerical schemes has been developed under the frameworks of Hamiltonian methods and mimetic discretizations, and over the past decade, there has been a great deal of work on the development of atmospheric dynamical cores using these techniques. An important example is Dynamico, which conserves mass, potential vorticity and total energy; and possesses additional mimetic properties such as a curl-free pressure gradient. Unfortunately, the underlying finite-difference discretization scheme used in Dynamico has been shown to be inconsistent on general grids. To resolve these accuracy issues, a scheme based on mimetic Galerkin discretizations has been developed that achieves higher-order accuracy while retaining the structure-preserving properties of the existing discretization. This presentation will discuss the new dynamical core, termed Dynamico-FE, and show results from a standard set of test cases on both the plane and the sphere.
Condensation and Wetting Dynamics on Micro/Nano-Structured Surfaces
Olceroglu, Emre
-condensable gases (NCGs), a novel characterization technique has been developed based on image tracking of droplet growth rates. The full-field dynamic characterization of superhydrophobic surfaces during condensation has been achieved using high-speed microscopy coupled with image-processing algorithms. This method is able to resolve heat fluxes as low as 20 W/m 2 and heat transfer coefficients of up to 1000 kW/m2, across an array of 1000's of microscale droplets simultaneously. Nanostructured surfaces with mixed wettability have been used to demonstrate delayed flooding during superhydrophobic condensation. These surfaces have been optimized and characterized using optical and electron microscopy, leading to the observation of self-organizing microscale droplets. The self-organization of small droplets effectively delays the onset of surface flooding, allowing the superhydrophobic surfaces to operate at higher supersaturations. Additionally, hierarchical surfaces have been fabricated and characterized showing enhanced droplet growth rates as compared to existing models. This enhancement has been shown to be derived from the presence of small feeder droplets nucleating within the microscale unit cells of the hierarchical surfaces. Based on the experimental observations, a mechanistic model for growth rates has been developed for superhydrophobic hierarchical surfaces. While superhydrophobic surfaces exhibit high heat transfer rates they are inherently unstable due to the necessity to maintain a non-wetted state in a condensing environment. As an alternative condensation surface, a novel design is introduced here using ambiphilic structures to promote the formation of a thin continuous liquid film across the surface which can still provide the benefits of superhydrophobic condensation. Preliminary results show that the ambiphilic structures restrain the film thickness, thus maintaining a low thermal resistance while simultaneously maximizing the liquid-vapor interface available for
Dynamic effective connectivity of inter-areal brain circuits.
Directory of Open Access Journals (Sweden)
Demian Battaglia
Full Text Available Anatomic connections between brain areas affect information flow between neuronal circuits and the synchronization of neuronal activity. However, such structural connectivity does not coincide with effective connectivity (or, more precisely, causal connectivity, related to the elusive question "Which areas cause the present activity of which others?". Effective connectivity is directed and depends flexibly on contexts and tasks. Here we show that dynamic effective connectivity can emerge from transitions in the collective organization of coherent neural activity. Integrating simulation and semi-analytic approaches, we study mesoscale network motifs of interacting cortical areas, modeled as large random networks of spiking neurons or as simple rate units. Through a causal analysis of time-series of model neural activity, we show that different dynamical states generated by a same structural connectivity motif correspond to distinct effective connectivity motifs. Such effective motifs can display a dominant directionality, due to spontaneous symmetry breaking and effective entrainment between local brain rhythms, although all connections in the considered structural motifs are reciprocal. We show then that transitions between effective connectivity configurations (like, for instance, reversal in the direction of inter-areal interactions can be triggered reliably by brief perturbation inputs, properly timed with respect to an ongoing local oscillation, without the need for plastic synaptic changes. Finally, we analyze how the information encoded in spiking patterns of a local neuronal population is propagated across a fixed structural connectivity motif, demonstrating that changes in the active effective connectivity regulate both the efficiency and the directionality of information transfer. Previous studies stressed the role played by coherent oscillations in establishing efficient communication between distant areas. Going beyond these early
Turbulent structure and dynamics of swirled, strongly pulsed jet diffusion flames
Liao, Ying-Hao; Hermanson, James C.
The structure and dynamics of swirled, strongly pulsed, turbulent jet diffusion flames were examined experimentally in a co-flow swirl combustor. The dynamics of the large-scale flame structures, including variations in flame dimensions, the degree
Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity
The structural heterogeneity of water at various interfaces can be revealed by time-resolved sum-frequency generation spectroscopy. The vibrational dynamics of the O–H stretch vibration of interfacial water can reflect structural variations. Specifically, the vibrational lifetime is typically found to increase with increasing frequency of the O–H stretch vibration, which can report on the hydrogen-bonding heterogeneity of water. We compare and contrast vibrational dynamics of water in contact with various surfaces, including vapor, biomolecules, and solid interfaces. The results reveal that variations in the vibrational lifetime with vibrational frequency are very typical, and can frequently be accounted for by the bulk-like heterogeneous response of interfacial water. Specific interfaces exist, however, for which the behavior is less straightforward. These insights into the heterogeneity of interfacial water thus obtained contribute to a better understanding of complex phenomena taking place at aqueous interfaces, such as photocatalytic reactions and protein folding. PMID:29490138