Sample records for state space transitions

1. Multiple transition states and roaming in ion-molecule reactions: A phase space perspective

Mauguière, Frédéric A. L.; Collins, Peter; Ezra, Gregory S.; Farantos, Stavros C.; Wiggins, Stephen

2014-01-01

We provide a dynamical interpretation of the recently identified ‘roaming' mechanism for molecular dissociation reactions in terms of geometrical structures in phase space. These are NHIMs (Normally Hyperbolic Invariant Manifolds) and their stable/unstable manifolds that define transition states for ion-molecule association or dissociation reactions. The associated dividing surfaces rigorously define a roaming region of phase space, in which both reactive and non reactive trajectories can be trapped for arbitrarily long times.

2. The Jastrow antisymmetric geminal power in Hilbert space: Theory, benchmarking, and application to a novel transition state

SciTech Connect

Neuscamman, Eric

2013-11-21

The Jastrow-modified antisymmetric geminal power (JAGP) ansatz in Hilbert space successfully overcomes two key failings of other pairing theories, namely, a lack of inter-pair correlations and a lack of multiple resonance structures, while maintaining a polynomially scaling cost, variational energies, and size consistency. Here, we present efficient quantum Monte Carlo algorithms that evaluate and optimize the JAGP energy for a cost that scales as the fifth power of the system size. We demonstrate the JAGP’s ability to describe both static and dynamic correlation by applying it to bond stretching in H{sub 2}O, C{sub 2}, and N{sub 2} as well as to a novel, multi-reference transition state of ethene. JAGP’s accuracy in these systems outperforms even the most sophisticated single-reference methods and approaches that of exponentially scaling active space methods.

3. The Jastrow antisymmetric geminal power in Hilbert space: Theory, benchmarking, and application to a novel transition state

Neuscamman, Eric

2013-11-01

The Jastrow-modified antisymmetric geminal power (JAGP) ansatz in Hilbert space successfully overcomes two key failings of other pairing theories, namely, a lack of inter-pair correlations and a lack of multiple resonance structures, while maintaining a polynomially scaling cost, variational energies, and size consistency. Here, we present efficient quantum Monte Carlo algorithms that evaluate and optimize the JAGP energy for a cost that scales as the fifth power of the system size. We demonstrate the JAGP's ability to describe both static and dynamic correlation by applying it to bond stretching in H2O, C2, and N2 as well as to a novel, multi-reference transition state of ethene. JAGP's accuracy in these systems outperforms even the most sophisticated single-reference methods and approaches that of exponentially scaling active space methods.

4. Quantum phase transition in space

SciTech Connect

Damski, Bogdan; Zurek, Wojciech H

2008-01-01

A quantum phase transition between the symmetric (polar) phase and the phase with broken symmetry can be induced in a ferromagnetic spin-1 Bose-Einstein condensate in space (rather than in time). We consider such a phase transition and show that the transition region in the vicinity of the critical point exhibits scalings that reflect a compromise between the rate at which the transition is imposed (i.e., the gradient of the control parameter) and the scaling of the divergent healing length in the critical region. Our results suggest a method for the direct measurement of the scaling exponent {nu}.

5. Variational transition state theory

SciTech Connect

Truhlar, D.G.

1993-12-01

This research program involves the development of variational transition state theory (VTST) and semiclassical tunneling methods for the calculation of gas-phase reaction rates and selected applications. The applications are selected for their fundamental interest and/or their relevance to combustion.

6. Parametric State Space Structuring

NASA Technical Reports Server (NTRS)

Ciardo, Gianfranco; Tilgner, Marco

1997-01-01

Structured approaches based on Kronecker operators for the description and solution of the infinitesimal generator of a continuous-time Markov chains are receiving increasing interest. However, their main advantage, a substantial reduction in the memory requirements during the numerical solution, comes at a price. Methods based on the "potential state space" allocate a probability vector that might be much larger than actually needed. Methods based on the "actual state space", instead, have an additional logarithmic overhead. We present an approach that realizes the advantages of both methods with none of their disadvantages, by partitioning the local state spaces of each submodel. We apply our results to a model of software rendezvous, and show how they reduce memory requirements while, at the same time, improving the efficiency of the computation.

7. Primordial equation of state transitions

Aravind, Aditya; Lorshbough, Dustin; Paban, Sonia

2016-06-01

We revisit the physics of transitions from a general equation of state parameter to the final stage of slow-roll inflation. We show that it is unlikely for the modes comprising the cosmic microwave background to contain imprints from a preinflationary equation of state transition and still be consistent with observations. We accomplish this by considering observational consistency bounds on the amplitude of excitations resulting from such a transition. As a result, the physics which initially led to inflation likely cannot be probed with observations of the cosmic microwave background. Furthermore, we show that it is unlikely that equation of state transitions may explain the observed low multipole power suppression anomaly.

8. Universal Keplerian state transition matrix

NASA Technical Reports Server (NTRS)

Shepperd, S. W.

1985-01-01

A completely general method for computing the Keplerian state transition matrix in terms of Goodyear's universal variables is presented. This includes a new scheme for solving Kepler's problem which is a necessary first step to computing the transition matrix. The Kepler problem is solved in terms of a new independent variable requiring the evaluation of only one transcendental function. Furthermore, this transcendental function may be conveniently evaluated by means of a Gaussian continued fraction.

9. Progression of Space Transportation - Transitioning from Government to Commercial

NASA Technical Reports Server (NTRS)

Lueders, Kathy

2015-01-01

Spaceflight began as the exclusive province of government, however, starting in the 1980's the United States began to promote commercial participation in space transportation. Beginning with Executive policy and extending through legislation and regulation, NASA has embarked on facilitating the commercialization of space transportation to serve NASA needs and enable a non-NASA market place. This presentation provides background on the transition to commercial space transportation and the specific role NASA is playing in that endeavor.

10. Spectroscopic characterization of isomerization transition states.

PubMed

Baraban, Joshua H; Changala, P Bryan; Mellau, Georg Ch; Stanton, John F; Merer, Anthony J; Field, Robert W

2015-12-11

Transition state theory is central to our understanding of chemical reaction dynamics. We demonstrate a method for extracting transition state energies and properties from a characteristic pattern found in frequency-domain spectra of isomerizing systems. This pattern-a dip in the spacings of certain barrier-proximal vibrational levels-can be understood using the concept of effective frequency, ω(eff). The method is applied to the cis-trans conformational change in the S1 state of C2H2 and the bond-breaking HCN-HNC isomerization. In both cases, the barrier heights derived from spectroscopic data agree extremely well with previous ab initio calculations. We also show that it is possible to distinguish between vibrational modes that are actively involved in the isomerization process and those that are passive bystanders. PMID:26659051

11. Spectroscopic characterization of isomerization transition states

Baraban, Joshua H.; Changala, P. Bryan; Mellau, Georg Ch.; Stanton, John F.; Merer, Anthony J.; Field, Robert W.

2015-12-01

Transition state theory is central to our understanding of chemical reaction dynamics. We demonstrate a method for extracting transition state energies and properties from a characteristic pattern found in frequency-domain spectra of isomerizing systems. This pattern—a dip in the spacings of certain barrier-proximal vibrational levels—can be understood using the concept of effective frequency, ωeff. The method is applied to the cis-trans conformational change in the S1 state of C2H2 and the bond-breaking HCN-HNC isomerization. In both cases, the barrier heights derived from spectroscopic data agree extremely well with previous ab initio calculations. We also show that it is possible to distinguish between vibrational modes that are actively involved in the isomerization process and those that are passive bystanders.

12. On the occurrence of transition states in celestial mechanics.

PubMed

Jaffé, Charles; Uzer, T

2004-05-01

The transition state is a central concept in the study of chemical reactions. The basic idea is that state space (phase space) can be partitioned into two volumes; the first corresponding to reactants and the second to products. Chemists call the boundary between these two regions the transition state. The rate of a chemical reaction is then discussed in terms the of the flow across the transition state. These ideas can also be applied with good effect to celestial problems. This paper outlines the chemists' view of molecular dynamics and then illustrates its application to problem of transport in celestial mechanics. PMID:15220139

13. Space-time formulation of quantum transitions

Petrosky, T.; Ordonez, G.; Prigogine, I.

2001-12-01

In a previous paper we have studied dressed excited states in the Friedrichs model, which describes a two-level atom interacting with radiation. In our approach, excited states are distributions (or generalized functions) in the Liouville space. These states decay in a strictly exponential way. In contrast, the states one may construct in the Hilbert space of wave functions always present deviations from exponential decay. We have considered the momentum representation, which is applicable to global quantities (trace, energy transfer). Here we study the space-time description of local quantities associated with dressed unstable states, such as, the intensity of the photon field. In this situation the excited states become factorized in Gamow states. To go from local quantities to global quantities, we have to proceed to an integration over space, which is far from trivial. There are various elements that appear in the space-time evolution of the system: the unstable cloud that surrounds the bare atom, the emitted real photons and the Zeno photons,'' which are associated with deviations from exponential decay. We consider a Hilbert space approximation to our dressed excited state. This approximation leads already to decay close to exponential in the field surrounding the atom, and to a line shape different from the Lorentzian line shape. Our results are compared with numerical simulations. We show that the time evolution of an unstable state satisfies a Boltzmann-like H theorem. This is applied to emission and absorption as well as scattering. The existence of a microscopic H theorem is not astonishing. The excited states are nonequilibrium'' states and their time evolution leads to the emission of photons, which distributes the energy of the unstable state among the field modes.

14. Transition metal catalysis in confined spaces.

PubMed

Leenders, Stefan H A M; Gramage-Doria, Rafael; de Bruin, Bas; Reek, Joost N H

2015-01-21

Transition metal catalysis plays an important role in both industry and in academia where selectivity, activity and stability are crucial parameters to control. Next to changing the structure of the ligand, introducing a confined space as a second coordination sphere around a metal catalyst has recently been shown to be a viable method to induce new selectivity and activity in transition metal catalysis. In this review we focus on supramolecular strategies to encapsulate transition metal complexes with the aim of controlling the selectivity via the second coordination sphere. As we will discuss, catalyst confinement can result in selective processes that are impossible or difficult to achieve by traditional methods. We will describe the template-ligand approach as well as the host-guest approach to arrive at such supramolecular systems and discuss how the performance of the catalyst is enhanced by confining it in a molecular container. PMID:25340992

15. State Transitions in Semiarid Landscapes

Phillips, J. D.

2012-04-01

The U.S. Department of Agriculture has developed a large number of state-and-transition models (STM) to predict and interpret changes in vegetation communities in drylands of the southwestern U.S. These are represented as box-and-arrow models indicating potential changes in response to various combinations of management practices and environmental forcings. Analysis of the 320 STMs developed for areas within the state of Texas reveals two important aspects of environmental change in semiarid environments. First, the STMs are highly local—they are specific to very particular combinations of landform, soil, and climate. This is consistent with the perfect landscape concept in geomorphology, which emphasizes the irreducible importance of geographically and historically contingent local factors in addition to universal laws or principles in determining the state or condition of landscapes. Second, analysis of the STMs using algebraic graph theory shows that a majority of them have structures that tend to amplify effects of change and disturbances. In many cases the STMs represent a form of self-organization characterized by the potential of divergent behavior rather than convergence toward a dominant pattern or outcome. These results indicate that geomorphic, hydrologic, and ecological responses to climate and land use change are likely to be highly variable and idiosyncratic, both within and between semiarid landscapes of Texas.

16. Transitioning NASA Space Operations to Commercial Services

NASA Technical Reports Server (NTRS)

Gilbert, Charlene E.

1998-01-01

Major considerations associated with "Transitioning NASA Space Operations to Commercial Services" are presented in viewgraph form. Specific topics include: 1) Government use of commercial frequencies vs. commercial use of commercial frequencies for government use; 2) Commercial use of government frequencies; 3) Government vs commercial: Access techniques, data formats, and modulation and coding; 4) Government need for multiple sources: backup and competition; 5) Government in perceived competition with commercial service providers if TDRSS is used for commercial purposes; and 6) Coordination required among plans for CSOC, NSCP, and satellite industry.

17. Periodic-orbit formula for quantum reactions through transition states

SciTech Connect

Schubert, Roman; Goussev, Arseni; Wiggins, Stephen; Waalkens, Holger

2010-07-15

Transition state theory forms the basis of computing reaction rates in chemical and other systems. Recently, it has been shown how transition state theory can rigorously be realized in phase space by using an explicit algorithm. The quantization has been demonstrated to lead to an efficient procedure to compute cumulative reaction probabilities and the associated Gamov-Siegert resonances. In this paper, these results are used to express the cumulative reaction probability as an absolutely convergent sum over periodic orbits contained in the transition state.

18. Longitudinal space charge effects near transition

SciTech Connect

Pozdeyev,E.; Rodriguez, J.A.; Marti, F.; York, R.C.

2009-05-04

Experimental and numerical studies of the longitudinal beam dynamics in the Small Isochronous Ring (SIR) at Michigan State University revealed a fast, space-charge driven instability that did not fit the model of the negative mass instability. This paper proposes a simple analytical model explaining these results. Also, the paper compares the model to result s of experimental and numerical studies of the longitudinal beam dynamics in SIR.

19. Challenges for Transitioning Science Research to Space Weather Applications

NASA Technical Reports Server (NTRS)

Spann, James

2013-01-01

Effectively transitioning science knowledge to useful applications relevant to space weather has become important. The effort to transition scientific knowledge to a useful application is not a research nor is it operations, but an activity that connects two. Successful transitioning must be an intentional effort with a clear goal and measureable outcome. This talk will present proven methodologies that have been demonstrated to be effective, and how in the current environment those can be applied to space weather transition efforts.

20. Quasi-classical models of transition state absorption or emission

Lee, Soo-Y.; Pollard, W. Thomas; Mathies, Richard A.

1989-11-01

By making a short-time approximation to the correlation function in the quantum result for transition state absorption (or emission) we obtain the Lorentzian and reflection results as integrals of simple configuration space functions. These and the time-integrated quantum results are used to derive and unify the following descriptions of transition-state absorption: (a) the classical model of Bersohn and Zewail, (b) the time-dependent wave mechanical description by Agrawal, Mohan and Sathyamurthy, (c) the classical trajectory approach by Polanyi and coworkers and (d) the time-independent quantum-mechanical description by Engel, Bacic, Schinke and Shapiro.

1. Operationalizing resilience using state and transition models

Technology Transfer Automated Retrieval System (TEKTRAN)

In management, restoration, and policy contexts, the notion of resilience can be confusing. Systematic development of conceptual models of ecological state change (state transition models; STMs) can help overcome semantic confusion and promote a mechanistic understanding of resilience. Drawing on ex...

2. Radiative transitions of heavy quarkonium states

SciTech Connect

De Fazio, Fulvia

2009-03-01

We study radiative decays of heavy QQ states, both for Q=c and Q=b, using an effective Lagrangian approach which exploits spin symmetry for such states. We use existing data on radiative quarkonium transitions to predict some unmeasured decay rates. We also discuss how these modes can be useful to understand the structure of X(3872)

3. Soil, resilience, and state and transition models

Technology Transfer Automated Retrieval System (TEKTRAN)

State and transition models are based on the assumption that less resilient systems are more susceptible to state changes. The objective of this paper is to show how two different types of soil properties contribute to resilience through their direct and indirect effects on ecosystem processes, and ...

4. United States Space Explorations 1958

NASA Technical Reports Server (NTRS)

1962-01-01

United States Space Explorations 1958. The film describes preparation and launch of five satellites and two space probes during 1958. On January 31, a Jupiter vehicle launched Explorer I into space. Data from this satellite was used to identify the van Allen radiation belts. On March 17, a Vanguard I rocket launched an Earth satellite with solar batteries. Data from the mission was used to determine that the Earth is slightly pear-shaped. On March 26, Explorer III was launched to further study the van Allen belts, micrometeoroid impacts, and internal and external temperatures. Explorer IV, launched on July 26, was intended to study radiation and temperature data. A lunar probe, ABLE I, was intended to measure radiation, magnetic fields of Earth and the Moon, density of micrometeoric matter, and internal temperatures. A four-stage rocket was used in the launch. However, a turbo-pump failed and the liquid oxygen pump stopped, resulting in a failed mission. On October 10, Pioneer I was launched by an ABLE vehicle. First and second stage velocity was less than desired and the probe did not leave Earth orbit. Attempts to attain escape velocity were unsuccessful. On December, a Jupiter boost vehicle was used to launch Juno II, with Pioneer III as the payload. Escape velocity was reached and Pioneer III left Earth's atmosphere. Failed launches, such as those of Vanguard boost vehicles and several Explorer satellites, also added to scientific knowledge. [Entire movie available on DVD from CASI as Doc ID 20070030963. Contact help@sti.nasa.gov

5. Successfully Transitioning Science Research to Space Weather Applications

NASA Technical Reports Server (NTRS)

Spann, James

2012-01-01

The awareness of potentially significant impacts of space weather on spaceand ground ]based technological systems has generated a strong desire in many sectors of government and industry to effectively transform knowledge and understanding of the variable space environment into useful tools and applications for use by those entities responsible for systems that may be vulnerable to space weather impacts. Essentially, effectively transitioning science knowledge to useful applications relevant to space weather has become important. This talk will present proven methodologies that have been demonstrated to be effective, and how in the current environment those can be applied to space weather transition efforts.

6. United States space transportation survey

NASA Technical Reports Server (NTRS)

Branscome, Darrel R.

1989-01-01

Different developmental paths for the U.S. space transportation fleet are discussed. Development of a purely cargo, unmanned space shuttle, using many components of the present manned space shuttle system, is presented. Future manned spacecraft solutions are discussed. Launch vehicle programs for unmanned missions are described. The Titan solid rocket motor upgrade is identified as the biggest improvement in this area. A return to a better balance between manned and unmanned launch systems for space transportation is predicted. The Titan, Delta, Scout, and Pegasus families of rockets are described. The need to upgrade this fleet in meeting the space challenges of the future is stressed.

7. Transition state theory for enzyme kinetics.

PubMed

Truhlar, Donald G

2015-09-15

This article is an essay that discusses the concepts underlying the application of modern transition state theory to reactions in enzymes. Issues covered include the potential of mean force, the quantization of vibrations, the free energy of activation, and transmission coefficients to account for nonequilibrium effect, recrossing, and tunneling. PMID:26008760

8. See Your State From Space!

USGS Publications Warehouse

U.S. Geological Survey

2008-01-01

Each of the 50 States in the United States is beautiful in its own way. That beauty can be seen from a unique perspective using satellite images taken from high above the Earth. These State images were created from multiple satellite images stitched together into one seamless image for each State. Names of major cities, administrative boundaries, and State flags have been added.

9. Perimenopause as a neurological transition state.

PubMed

Brinton, Roberta D; Yao, Jia; Yin, Fei; Mack, Wendy J; Cadenas, Enrique

2015-07-01

Perimenopause is a midlife transition state experienced by women that occurs in the context of a fully functioning neurological system and results in reproductive senescence. Although primarily viewed as a reproductive transition, the symptoms of perimenopause are largely neurological in nature. Neurological symptoms that emerge during perimenopause are indicative of disruption in multiple estrogen-regulated systems (including thermoregulation, sleep, circadian rhythms and sensory processing) and affect multiple domains of cognitive function. Estrogen is a master regulator that functions through a network of estrogen receptors to ensure that the brain effectively responds at rapid, intermediate and long timescales to regulate energy metabolism in the brain via coordinated signalling and transcriptional pathways. The estrogen receptor network becomes uncoupled from the bioenergetic system during the perimenopausal transition and, as a corollary, a hypometabolic state associated with neurological dysfunction can develop. For some women, this hypometabolic state might increase the risk of developing neurodegenerative diseases later in life. The perimenopausal transition might also represent a window of opportunity to prevent age-related neurological diseases. This Review considers the importance of neurological symptoms in perimenopause in the context of their relationship to the network of estrogen receptors that control metabolism in the brain. PMID:26007613

10. A Model of Mental State Transition Network

Xiang, Hua; Jiang, Peilin; Xiao, Shuang; Ren, Fuji; Kuroiwa, Shingo

Emotion is one of the most essential and basic attributes of human intelligence. Current AI (Artificial Intelligence) research is concentrating on physical components of emotion, rarely is it carried out from the view of psychology directly(1). Study on the model of artificial psychology is the first step in the development of human-computer interaction. As affective computing remains unpredictable, creating a reasonable mental model becomes the primary task for building a hybrid system. A pragmatic mental model is also the fundament of some key topics such as recognition and synthesis of emotions. In this paper a Mental State Transition Network Model(2) is proposed to detect human emotions. By a series of psychological experiments, we present a new way to predict coming human's emotions depending on the various current emotional states under various stimuli. Besides, people in different genders and characters are taken into consideration in our investigation. According to the psychological experiments data derived from 200 questionnaires, a Mental State Transition Network Model for describing the transitions in distribution among the emotions and relationships between internal mental situations and external are concluded. Further more the coefficients of the mental transition network model were achieved. Comparing seven relative evaluating experiments, an average precision rate of 0.843 is achieved using a set of samples for the proposed model.

11. Order of the transition versus space dimension in a family of cellular automata

Bidaux, Roger; Boccara, Nini; Chaté, Hugues

1989-03-01

A mean-field theory of (probabilistic) cellular automata is developed and used to select a typical local rule whose mean-field analysis predicts first-order phase transitions. The corresponding automaton is then studied numerically on regular lattices for space dimensions d between 1 and 4. At odds with usual beliefs on two-state automata with one absorbing phase, first-order transitions are indeed exhibited as soon as d>1, with closer quantitative agreement with mean-field predictions for high space dimensions. For d=1, the transition is continuous, but with critical exponents different from those of directed percolation.

12. Transition to the space shuttle operations era

NASA Technical Reports Server (NTRS)

1985-01-01

The tasks involved in the Space Shuttle Development Program are discussed. The ten major characteristics of an operational Shuttle are described, as well as the changes occurring in Shuttle processing, on-line operations, operations engineering, and support operations. A summary is given of tasks and goals that are being pursued in the effort to create a cost effective and efficient system.

13. State-Space Formulation for Circuit Analysis

ERIC Educational Resources Information Center

Martinez-Marin, T.

2010-01-01

This paper presents a new state-space approach for temporal analysis of electrical circuits. The method systematically obtains the state-space formulation of nondegenerate linear networks without using concepts of topology. It employs nodal/mesh systematic analysis to reduce the number of undesired variables. This approach helps students to…

14. State-transition diagrams for biologists.

PubMed

Bersini, Hugues; Klatzmann, David; Six, Adrien; Thomas-Vaslin, Véronique

2012-01-01

It is clearly in the tradition of biologists to conceptualize the dynamical evolution of biological systems in terms of state-transitions of biological objects. This paper is mainly concerned with (but obviously not limited too) the immunological branch of biology and shows how the adoption of UML (Unified Modeling Language) state-transition diagrams can ease the modeling, the understanding, the coding, the manipulation or the documentation of population-based immune software model generally defined as a set of ordinary differential equations (ODE), describing the evolution in time of populations of various biological objects. Moreover, that same UML adoption naturally entails a far from negligible representational economy since one graphical item of the diagram might have to be repeated in various places of the mathematical model. First, the main graphical elements of the UML state-transition diagram and how they can be mapped onto a corresponding ODE mathematical model are presented. Then, two already published immune models of thymocyte behavior and time evolution in the thymus, the first one originally conceived as an ODE population-based model whereas the second one as an agent-based one, are refactored and expressed in a state-transition form so as to make them much easier to understand and their respective code easier to access, to modify and run. As an illustrative proof, for any immunologist, it should be possible to understand faithfully enough what the two software models are supposed to reproduce and how they execute with no need to plunge into the Java or Fortran lines. PMID:22844438

15. State-Transition Diagrams for Biologists

PubMed Central

Bersini, Hugues; Klatzmann, David; Six, Adrien; Thomas-Vaslin, Véronique

2012-01-01

It is clearly in the tradition of biologists to conceptualize the dynamical evolution of biological systems in terms of state-transitions of biological objects. This paper is mainly concerned with (but obviously not limited too) the immunological branch of biology and shows how the adoption of UML (Unified Modeling Language) state-transition diagrams can ease the modeling, the understanding, the coding, the manipulation or the documentation of population-based immune software model generally defined as a set of ordinary differential equations (ODE), describing the evolution in time of populations of various biological objects. Moreover, that same UML adoption naturally entails a far from negligible representational economy since one graphical item of the diagram might have to be repeated in various places of the mathematical model. First, the main graphical elements of the UML state-transition diagram and how they can be mapped onto a corresponding ODE mathematical model are presented. Then, two already published immune models of thymocyte behavior and time evolution in the thymus, the first one originally conceived as an ODE population-based model whereas the second one as an agent-based one, are refactored and expressed in a state-transition form so as to make them much easier to understand and their respective code easier to access, to modify and run. As an illustrative proof, for any immunologist, it should be possible to understand faithfully enough what the two software models are supposed to reproduce and how they execute with no need to plunge into the Java or Fortran lines. PMID:22844438

16. QM/MM Analysis of Transition States and Transition State Analogues in Metalloenzymes.

PubMed

Roston, D; Cui, Q

2016-01-01

Enzymology is approaching an era where many problems can benefit from computational studies. While ample challenges remain in quantitatively predicting behavior for many enzyme systems, the insights that often come from computations are an important asset for the enzymology community. Here we provide a primer for enzymologists on the types of calculations that are most useful for mechanistic problems in enzymology. In particular, we emphasize the integration of models that range from small active-site motifs to fully solvated enzyme systems for cross-validation and dissection of specific contributions from the enzyme environment. We then use a case study of the enzyme alkaline phosphatase to illustrate specific application of the methods. The case study involves examination of the binding modes of putative transition state analogues (tungstate and vanadate) to the enzyme. The computations predict covalent binding of these ions to the enzymatic nucleophile and that they adopt the trigonal bipyramidal geometry of the expected transition state. By comparing these structures with transition states found through free energy simulations, we assess the degree to which the transition state analogues mimic the true transition states. Technical issues worth treating with care as well as several remaining challenges to quantitative analysis of metalloenzymes are also highlighted during the discussion. PMID:27498640

17. United States Space Explorations 1958

NASA Technical Reports Server (NTRS)

1962-01-01

The film describes preparation and launch of five satellites and two space probes during 1958. On January 31, a Jupiter vehicle launched Explorer I into space. Data from this satellite was used to identify the van Allen radiation belts. On March 17, a Vanguard I rocket launched an Earth satellite with solar batteries. Data from the mission was used to determine that the Earth is slightly pear-shaped. On March 26, Explorer III was launched to further study the van Allen belts, micrometeoroid impacts, and internal and external temperatures. Explorer IV, launched on July 26, was intended to study radiation and temperature data. A lunar probe, ABLE I, was intended to measure radiation, magnetic fields of Earth and the Moon, density of micrometeoric matter, and internal temperatures. A four-stage rocket was used in the launch. However, a turbo-pump failed and the liquid oxygen pump stopped, resulting in a failed mission. On October 10, Pioneer I was launched by an ABLE vehicle. First and second stage velocity was less than desired and the probe did not leave Earth orbit. Attempts to attain escape velocity were unsuccessful. On December, a Jupiter boost vehicle was used to launch Juno II, with Pioneer III as the payload. Escape velocity was reached and Pioneer III left Earth's atmosphere. Failed launches, such as those of Vanguard boost vehicles and several Explorer satellites, also added to scientific knowledge.

18. Quadratic Stochastic Operators with Countable State Space

Ganikhodjaev, Nasir

2016-03-01

In this paper, we provide the classes of Poisson and Geometric quadratic stochastic operators with countable state space, study the dynamics of these operators and discuss their application to economics.

19. The Applied Meteorology Unit: Nineteen Years Successfully Transitioning Research Into Operations for America's Space Program

NASA Technical Reports Server (NTRS)

Madura, John T.; Bauman, William H., III; Merceret, Francis J.; Roeder, William P.; Brody, Frank C.; Hagemeyer, Bartlett C.

2011-01-01

The Applied Meteorology Unit (AMU) provides technology development and transition services to improve operational weather support to America's space program . The AMU was founded in 1991 and operates under a triagency Memorandum of Understanding (MOU) between the National Aeronautics and Space Administration (NASA), the United States Air Force (USAF) and the National Weather Service (NWS) (Ernst and Merceret, 1995). It is colocated with the 45th Weather Squadron (45WS) at Cape Canaveral Air Force Station (CCAFS) and funded by the Space Shuttle Program . Its primary customers are the 45WS, the Spaceflight Meteorology Group (SMG) operated for NASA by the NWS at the Johnson Space Center (JSC) in Houston, TX, and the NWS forecast office in Melbourne, FL (MLB). The gap between research and operations is well known. All too frequently, the process of transitioning research to operations fails for various reasons. The mission of the AMU is in essence to bridge this gap for America's space program.

20. Spin state transitions in cobaltites: spectroscopic perspective

Hao Tjeng, Liu

2010-03-01

The class of cobalt-oxide based materials has attracted increasing interest in the last decade. A key aspect of the cobaltites that distinguishes them clearly from the Cu, Ni, and Mn oxides is the spin state degree of freedom of the Co3+ and Co4+ ions: the ions can be low spin, high spin, and perhaps even intermediate spin. This aspect comes on top of the orbital and charge degrees of freedom that already make the Cu, Ni, Mn systems so exciting. It is, however, also precisely this aspect that causes considerable debate in the literature. In this presentation we would like to show how synchrotron based soft-x-ray spectroscopies can successfully resolve the local electronic structure of the Co ions and thus contribute to a better understanding of the physical properties of the cobaltites. In particular, we will address the issue of spin state transitions, metal insulator transitions and the newly proposed spin-blockade phenomenon in several layered cobalt materials. --- Work done in collaboration with Z. Hu, M.W. Haverkort, C.F. Chang, H. Wu, T. Burnus, Y.Y. Chin, N. Hollmann, C. Schussler- Langeheine, M. Benomar, T. Lorenz, D.I. Khomskii (Univ. Cologne), A. Tanaka (Univ. Hiroshima), S.N. Barilo (NAS, Minsk), J. Cezar, N.B. Brookes (ESRF-Grenoble), H.H. Hsieh, H.J. Lin, C.T. Chen (NSRRC-Hsinchu). Supported by the DFG through SFB 608.

1. Transition From NASA Space Communication Systems to Commerical Communication Products

NASA Technical Reports Server (NTRS)

1994-01-01

Transitioning from twenty-five years of space communication system architecting, engineering and development to creating and marketing of commercial communication system hardware and software products is no simple task for small, high-tech system engineering companies whose major source of revenue has been the U.S. Government. Yet, many small businesses are faced with this onerous and perplexing task. The purpose of this talk/paper is to present one small business (LinCom) approach to taking advantage of the systems engineering expertise and knowledge captured in physical neural networks and simulation software by supporting numerous National Aeronautics and Space Administration (NASA) and the Department of Defense (DoD) projects, e.g., Space Shuttle, TDRSS, Space Station, DCSC, Milstar, etc. The innovative ingredients needed for a systems house to transition to a wireless communication system products house that supports personal communication services and networks (PCS and PCN) development in a global economy will be discussed. Efficient methods for using past government sponsored space system research and development to transition to VLSI communication chip set products will be presented along with notions of how synergy between government and industry can be maintained to benefit both parties.

2. Spectral presheaves as quantum state spaces.

PubMed

Döring, Andreas

2015-08-01

For each quantum system described by an operator algebra [Formula: see text] of physical quantities, we provide a (generalized) state space, notwithstanding the Kochen-Specker theorem. This quantum state space is the spectral presheaf [Formula: see text]. We formulate the time evolution of quantum systems in terms of Hamiltonian flows on this generalized space and explain how the structure of the spectral presheaf [Formula: see text] geometrically mirrors the double role played by self-adjoint operators in quantum theory, as quantum random variables and as generators of time evolution. PMID:26124247

3. International Space Station: Transitional Platform for Moon and Mars

NASA Technical Reports Server (NTRS)

Greeniesen, Michael C.

2006-01-01

Humans on the path to Mars are employing the Space Station to better understand the Life Sciences issues during long duration space flight. In this phase the problems, for example, of bone loss, skeletal muscle atrophy and radiation will be prioritized for countermeasure development. This presentation will feature NASA's critical path to the Moon and Mars as the initial blueprint for addressing these Human Life Sciences challenges necessary to accomplish a successful Mars transit, surface exploration and return to Earth. A Moon base will be the test bed for resolving the engineering obstacles for later establishment of the Mars Crew Habitat. Current engineering concept scenarios for Moon and Mars bases plus Mars transit vehicles will receive the final focus.

4. Transit Imaging and Spectroscopy with the James Webb Space Telescope

NASA Technical Reports Server (NTRS)

Clampin, Mark

2008-01-01

The James Webb Space Telescope (JWST) is a large aperture (6.5 meter), cryogenic space telescope with a suite of near and mid-infrared instruments covering the wavelength range of 0.6 microns to 28 microns. JWST's primary science goal is to detect and characterize the first galaxies. It will also study the assembly of galaxies, star formation, and the formation of evolution of planetary systems. Recent progress in hardware development for the observatory will be presented, including a discussion of the status of JWST's optical system and Beryllium mirror fabrication, progress with sunshield prototypes, and recent changes in the integration and test configuration. We also review the expected scientific performance of the observatory for observations of exosolar planets by means of transit imaging and spectroscopy. We will review the capabilities of each science instrument, and discuss the performance of each mode, with reference to current transiting systems.

5. Universal transition state scaling relations for (de)hydrogenation over transition metals.

PubMed

Wang, S; Petzold, V; Tripkovic, V; Kleis, J; Howalt, J G; Skúlason, E; Fernández, E M; Hvolbæk, B; Jones, G; Toftelund, A; Falsig, H; Björketun, M; Studt, F; Abild-Pedersen, F; Rossmeisl, J; Nørskov, J K; Bligaard, T

2011-12-14

We analyse the transition state energies for 249 hydrogenation/dehydrogenation reactions of atoms and simple molecules over close-packed and stepped surfaces and nanoparticles of transition metals using Density Functional Theory. Linear energy scaling relations are observed for the transition state structures leading to transition state scaling relations for all the investigated reactions. With a suitable choice of reference systems the transition state scaling relations form a universality class that can be approximated with one single linear relation describing the entire range of reactions over all types of surfaces and nanoclusters. PMID:21996683

6. State space control of frequency standards

Koppang, Paul A.

2016-06-01

Discrete time control systems are widely used in time and frequency applications. Control systems can be designed to reduce phase and frequency offsets to a given reference either more or less aggressively depending on overall system needs. There are many methods available to aid in designing control systems, including techniques based on state space system models. Several state space control design methods will be shown. The control concepts covered in this paper are pole placement, minimum control effort, and linear quadratic Gaussian. The effects of steering limits on system performance will also be discussed.

7. Transitioning Space Weather Models Into Operations: The Basic Building Blocks

2009-10-01

New and improved space weather models that provide real-time or near-real time operational awareness to the long list of customers that the NOAA Space Weather Prediction Center (SWPC) serves are critically needed. Recognizing this, SWPC recently established a Developmental Testbed Center (DTC [see Kumar, 2009]) at which models will be vetted for operational use. What characteristics should models have if they are to survive this transition? The difficulties around the implementation of real-time models are many. From the stability of the data input (frequently coming from third parties) to the elevated information technology (IT) security atmosphere present everywhere, scientists and developers are confronting a series of challenges in the implementation of their models. Quinn et al. [2009] noted that “the transition challenges are numerous and require ongoing interaction between model developers and users.” However, the 2006 Report of the Assessment Committee for the National Space Weather Program (NSWP; see http://www.nswp.gov/nswp_acreport0706.pdf) found that “there is an absence of suitable connection[s] for ‘academia-to-operations’ knowledge transfer and for the transition of research to operations in general.”

8. "Show me your impact": evaluating transitional justice in contested spaces.

PubMed

Duggan, Colleen

2012-02-01

This paper discusses some of the most significant challenges and opportunities for evaluating the effects of programs in support of transitional justice - the field that addresses how post-conflict or post authoritarian societies deal with legacies of wide spread human rights violations. The discussion is empirically grounded in a case study that assesses the efforts of the International Development Research Centre (IDRC) and one of its Guatemalan partners to evaluate the effects of a museum exposition that is attempting to recast historic memory and challenge racist attitudes in post-conflict Guatemala. The paper argues that despite the increasing trend to fund transitional justice programs, many international aid donors are stuck in traditional and arguably orthodox paradigms of program evaluation. This is having a negative effect not only upon the administration of aid but also upon how transitional justice research is perceived and valued by local populations. The case study experience indicates that there is no perfect evaluation model or approach for evaluating transitional justice programming - only choices to be made by commissioners of evaluation, evaluators, and those being evaluated. These are profoundly influenced by the extreme politics and moral values that define transitional justice settings as contested spaces in which calls to remember the tragic past must be balanced with aspirations to re-build a hopeful future. PMID:21190735

9. Space-based Search for Transiting Exoplanets Orbiting Bright Stars

Tsvetanov, Zlatan

At the current stage of research transiting planets hold the key to advancing our knowledge of exoplanets as they are the only targets that allow determination of many of the key plane-tary parameters. Because the employed techniques are differential (either photometry or spec-troscopy) and the planet is significantly fainter the host star the dominant limitation is simply the number of photons. This puts a very high premium on transiting planets with bright parent stars. The ExoPlanet Task Force recognized the high value of planets transiting bright stars and identified the need to perform a wide area space-based transit survey. In this presentation I will describe a program that addresses the ExoPTF recommendation by using the output of one of the instruments on the currently operating space mission STEREO. STEREO is the third mission in NASA's Solar Terrestrial Probes program. It uses two nearly identical spacecrafts -one on an Earth-leading orbit and one on an Earth-trailing orbit -each equipped with a suit of five small telescopes to provide a stereoscopic view of the coronal mass ejections (CME) as they propagate away from the Sun. As each of these telescopes observes a portion of the heliospehre, they also image the star field in the background. For the purposes of this study we will consider only the images obtained by the HI-1 instruments. Other instruments, although showing the stellar background as well, do not have the data output suitable for a search for transiting exoplanets. This project described here has the potential of delivering a number of very high value targets for follow-up studies with a wide range of facilities, both ground-based and space-based. It will provide a complete survey of all bright stars (<10m) for 18% of the sky. The photometric data series have the sensitivity to detect all transiting hot-Jupiters and other gas giants with periods up to ˜20 days and even some Neptune size planets orbiting bright and/or late type stars. On

10. How Accurate Are Transition States from Simulations of Enzymatic Reactions?

PubMed Central

2015-01-01

The rate expression of traditional transition state theory (TST) assumes no recrossing of the transition state (TS) and thermal quasi-equilibrium between the ground state and the TS. Currently, it is not well understood to what extent these assumptions influence the nature of the activated complex obtained in traditional TST-based simulations of processes in the condensed phase in general and in enzymes in particular. Here we scrutinize these assumptions by characterizing the TSs for hydride transfer catalyzed by the enzyme Escherichia coli dihydrofolate reductase obtained using various simulation approaches. Specifically, we compare the TSs obtained with common TST-based methods and a dynamics-based method. Using a recently developed accurate hybrid quantum mechanics/molecular mechanics potential, we find that the TST-based and dynamics-based methods give considerably different TS ensembles. This discrepancy, which could be due equilibrium solvation effects and the nature of the reaction coordinate employed and its motion, raises major questions about how to interpret the TSs determined by common simulation methods. We conclude that further investigation is needed to characterize the impact of various TST assumptions on the TS phase-space ensemble and on the reaction kinetics. PMID:24860275

11. Estimation of State Transition Probabilities: A Neural Network Model

Saito, Hiroshi; Takiyama, Ken; Okada, Masato

2015-12-01

Humans and animals can predict future states on the basis of acquired knowledge. This prediction of the state transition is important for choosing the best action, and the prediction is only possible if the state transition probability has already been learned. However, how our brains learn the state transition probability is unknown. Here, we propose a simple algorithm for estimating the state transition probability by utilizing the state prediction error. We analytically and numerically confirmed that our algorithm is able to learn the probability completely with an appropriate learning rate. Furthermore, our learning rule reproduced experimentally reported psychometric functions and neural activities in the lateral intraparietal area in a decision-making task. Thus, our algorithm might describe the manner in which our brains learn state transition probabilities and predict future states.

12. Interplanetary Transit Simulations Using the International Space Station

NASA Technical Reports Server (NTRS)

Charles, John B.; Arya, M.; Kundrot, C. E.

2010-01-01

We evaluated the space life sciences utility of the International Space Station (ISS) to simulate the outbound transit portion of missions to Mars and Near Earth Asteroids (NEA) to investigate biomedical and psychological aspects of such transits, to develop and test space operation procedures compatible with communication delays and outages, and to demonstrate and validate technologies and countermeasures. Two major categories of space life sciences activities can capitalize on ISS capabilities. The first includes studies that require ISS (or a comparable facility), typically for access to prolonged weightlessness. The second includes studies that do not strictly require ISS but can exploit it to maximize their scientific return more efficiently and productively than in ground-based simulations. For these studies, ISS offers a high fidelity analog for fundamental factors on future missions, such as crew composition, mission control personnel, operational tasks and workload, real-world risk, and isolation, and can mimic the effects of distance and limited accessibility. In addition to conducting Mars- and NEA-transit simulations on 6-month ISS increments, extending the current ISS increment duration from 6 months to 9 or even 12 months will provide opportunities for enhanced and focused research relevant to long duration Mars and NEA missions. Increasing the crew duration may pose little additional risk to crewmembers beyond that currently accepted on 6-month increments, but additional medical monitoring capabilities will be required beyond those currently used for ISS operations. Finally, while presenting major logistical challenges, such a simulation followed by a post-landing simulation of Mars exploration could provide quantitative evidence of capabilities in an actual mission. Thus, the use of ISS to simulate aspects of Mars and NEA missions seems practical. If it were to be implemented without major disruption of on-going ISS activities, then planning should

13. Recrossings and transition-state theory.

PubMed

Pritchard, Huw O

2005-02-24

When classical trajectory calculations are run on the two isomerization reactions NCCN <==> NCNC and CH3CN right harpoon over left harpoon CH3NC over a long period of time, up to ca. 0.2 micros each, one finds many more recrossings than actual reactive events. In these calculations a "recrossing" is defined as passage over the potential barrier separating the two species followed by return to the original side within 0.2 ps. For the C2N2 case there are about twice as many crossings of the barrier as there are genuine reactive events, and for CH3CN, there are about 10 times as many. Long-term mean residence times, tau(infinity)CN and tau(infinity)NC, in reactant and product wells are compared with the corresponding mean first passage times, tau1(CN) and tau1(NC), the latter found by terminating the trajectories at the first crossing of the barrier. For the NCCN <==> NCNC reaction, except at the lowest energies, the mean residence times are exactly twice the mean first passage times, implying that the transition-state theory transmission coefficient, as traditionally defined, should be kappa = 0.5. PMID:16833457

14. Fractal Complexity in Spontaneous EEG Metastable-State Transitions: New Vistas on Integrated Neural Dynamics

PubMed Central

Allegrini, Paolo; Paradisi, Paolo; Menicucci, Danilo; Gemignani, Angelo

2010-01-01

Resting-state EEG signals undergo rapid transition processes (RTPs) that glue otherwise stationary epochs. We study the fractal properties of RTPs in space and time, supporting the hypothesis that the brain works at a critical state. We discuss how the global intermittent dynamics of collective excitations is linked to mentation, namely non-constrained non-task-oriented mental activity. PMID:21423370

15. Space Surveillance: United States, Russia, and China

Seidelmann, P. K.

2012-06-01

With the launch of Sputnik, the United States and Russia began the process of tracking artificial satellites. This led to developments for observations, orbit determination, and catalog maintenance. The two countries followed somewhat different approaches to the same problem based on the available hardware and theoretical developments. As more sophisticated hardware and theories have been developed, progress has been made. However, new problems have developed because of debris, collision possibilities, and reentering objects. In addition, the range of spacecraft has increased to include geosynchronous orbits. In more recent times the European Space Agency (ESA) and China have become involved in various aspects of Space Surveillance. In 1994, the first meeting between United States and Russian experts in the field of space surveillance was held. Since then, seven more US Russia Space Surveillance Workshops have been held, with the addition of participants from ESA. Terry Alfriend has been the US Technical Chairman for many of these workshops. In 2009 a US China Space Surveillance Technical Interchange was held in Shanghai, China, and Terry was the US Technical Chairman.

16. Electric dipole transitions between Gamow-Teller and spin-dipole states

SciTech Connect

Suzuki, T.; Sagawa, H.; Van Giai, N.

1998-01-01

We study electric dipole transitions between Gamow-Teller (GT) and spin-dipole (SD) states. SD and GT excitations are calculated within the Hartree-Fock+Tamm-Dancoff approximation for {sup 48}Sc and {sup 90}Nb. The electric dipole transitions are found to be rather selective, and strong E1 transitions occur to some specific spin-dipole states. Calculated E1 transition strengths between GT and SD states are compared with the analytic sum rules within one-particle{endash}one-hole (1p-1h) configuration space and within both 1p-1h and 2p-2h model space. Possible implications for charge-exchange reactions may help to understand the quenching problem of spin excitations. {copyright} {ital 1998} {ital The American Physical Society}

17. Unified transition path and universal transition state for ZB to RS or WZ to RS high pressure phase transition

Miao, Maosheng

2005-07-01

We show that the previously proposed transition paths for high pressure phase transitions for semiconductor from zinc blende (ZB) to rocksalt (RS) and from wurtzite (WZ) to rocksalt can be unified and can be extended to transitions from various tetrahedrally bonded polytypes to rocksalt [1]. Our first principle pseudopotential calculations with density functional and constrained relaxation methods on SiC showed that the ZB to RS transition has the lowest transition barrier. Our calculations on ZB to RS transition path for other semiconductors including II-VI, III-V and group IV semiconductors, show that the position and the geometry of the transition state, the state that correspond to the transition barrier, are universal and do not depend on the chemical components of the system [2]. We also extended the Landau phase transition model to a ZB to RS transition by using a cosine function of the atom displacement as order parameter. The model shows that the position of the transition state does not depend on the coupling between the atom displacement and the strains of the lattice, which is the key point that the transition state is independent of the chemical components. [1] M. S. Miao and Walter R. L. Lambrecht, Phys. Rev. B 68, 092103 (2003). [2] M. S. Miao and Walter R. L. Lambrecht, Phys. Rev. Lett., accepted

18. The transition to the metallic state in low density hydrogen.

PubMed

McMinis, Jeremy; Morales, Miguel A; Ceperley, David M; Kim, Jeongnim

2015-11-21

Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for theoretical methods. As a result, the order and density of the phase transition are still subject to debate. In this work, we use diffusion quantum Monte Carlo to benchmark the transition between paramagnetic and anti-ferromagnetic body centered cubic atomic hydrogen in its ground state. We locate the density of the transition by computing the equation of state for these two phases and identify the phase transition order by computing the band gap near the phase transition. These benchmark results show that the phase transition is continuous and occurs at a Wigner-Seitz radius of rs = 2.27(3) a0. We compare our results to previously reported density functional theory, Hedin's GW approximation, and dynamical mean field theory results. PMID:26590549

19. Smooth transitions from the Schwarzschild vacuum to de Sitter space

SciTech Connect

Conboy, Steven; Lake, Kayll

2005-06-15

We provide an infinity of spacetimes which contain part of both the Schwarzschild vacuum and de Sitter space. The transition, which occurs below the Schwarzschild event horizon, involves only boundary surfaces (no surface layers). An explicit example is given in which the weak and strong energy conditions are satisfied everywhere (except in the de Sitter section) and the dominant energy condition is violated only in the vicinity of the boundary to the Schwarzschild section. The singularity is avoided by way of a change in topology in accord with a theorem due to Borde.

20. Frequency domain state-space system identification

NASA Technical Reports Server (NTRS)

Chen, Chung-Wen; Juang, Jer-Nan; Lee, Gordon

1992-01-01

An algorithm for identifying state-space models from frequency response data of linear systems is presented. A matrix-fraction description of the transfer function is employed to curve-fit the frequency response data, using the least-squares method. The parameters of the matrix-fraction representation are then used to construct the Markov parameters of the system. Finally, state-space models are obtained through the Eigensystem Realization Algorithm using Markov parameters. The main advantage of this approach is that the curve-fitting and the Markov parameter construction are linear problems which avoid the difficulties of nonlinear optimization of other approaches. Another advantage is that it avoids windowing distortions associated with other frequency domain methods.

1. Two-photon transitions to excited states in atomic hydrogen

SciTech Connect

Quattropani, A.; Bassani, F.; Carillo, S.

1982-06-01

Resonant two-photon transition rates from the ground state of atomic hydrogen to ns excited states have been computed as a function of photon frequencies in the length and velocity gauges in order to test the accuracy of the calculation and to discuss the rate of convergence over the intermediate states. The dramatic structure of the transition rates produced by intermediate-state resonances is exhibited. A two-photon transparency is found in correspondence to each resonance.

2. The Variable Transition State in Polar Additions to Pi Bonds

ERIC Educational Resources Information Center

Weiss, Hilton M.

2010-01-01

A vast majority of polar additions of Bronsted acids to alkynes involve a termolecular transition state. With strong acids, considerable positive charge is developed on carbon and Markovnikov addition predominates. In less acidic solutions, however, the reaction is much slower and the transition state more closely resembles the olefinic product.…

3. State-space formulations for flutter analysis

NASA Technical Reports Server (NTRS)

Weiss, S. J.; Tseng, K.; Morino, L.

1976-01-01

Various methods are presented and assessed for approximating the aerodynamic forces so that the State Space formulation and off-the-imaginary axis analysis are retained. The advantages of retaining these features are considerable, not only in simplifying the flutter analysis, but especially for more advanced applications such as optimal design of active control in which the flutter is merely a constraint to the optimization problem.

4. A flexible transition state searching method for atmospheric reaction systems

Lin, Xiao-Xiao; Liu, Yi-Rong; Huang, Teng; Chen, Jiao; Jiang, Shuai; Huang, Wei

2015-04-01

The precise and rapid exploration of transition states (TSs) is a major challenge when studying atmospheric reactions due to their complexity. In this work, a Monte Carlo Transition State Search Method (MCTSSM), which integrates Monte Carlo sampling technique with transition state optimization methods using an efficient computer script, has been developed for transition state searches. The efficiency and the potential application in atmospheric reactions of this method have been demonstrated by three types of test suits related to the reactions of atmospheric volatile organic compounds (VOCs): (1) OH addition, (2) OH hydrogen-abstraction, and (3) the other reactive group (e.g. Cl, O3, NO3), especially for the reaction of β-pinene-sCI (stabilized Criegee Intermediates) with water. It was shown that the application of this method with effective restricted parameters has greatly simplified the time-consuming and tedious manual search procedure for transition state (TS) of the bimolecular reaction systems.

5. A Flexible Transition State Searching Method for Atmospheric Reaction Systems

SciTech Connect

Lin, Xiao-Xiao; Liu, Yi-Rong; Huang, Teng; Chen, Jiao; Jiang, Shuai; Huang, Wei

2015-04-01

The precise and rapid exploration of transition states (TSs) is a major challenge when studying atmospheric reactions due to their complexity. In this work, a Monte Carlo Transition State Search Method (MCTSSM), which integrates Monte Carlo sampling technique with transition state optimization methods using an efficient computer script, has been developed for transition state searches. The efficiency and the potential application in atmospheric reactions of this method have been demonstrated by three types of test suits related to the reactions of atmospheric volatile organic compounds (VOCs): (1) OH addition, (2) OH hydrogen-abstraction, and (3) the other reactive group (e.g. Cl, O3, NO3), especially for the reaction of β-pinene-sCI (stabilized Criegee Intermediates) with water. It was shown that the application of this method with effective restricted parameters has greatly simplified the time-consuming and tedious manual search procedure for transition state (TS) of the bimolecular reaction systems.

6. Space Shuttle Boundary Layer Transition Flight Experiment Ground Testing Overview

NASA Technical Reports Server (NTRS)

Berger, Karen T.; Anderson, Brian P.; Campbell, Charles H.

2014-01-01

In support of the Boundary Layer Transition (BLT) Flight Experiment (FE) Project in which a manufactured protuberance tile was installed on the port wing of Space Shuttle Orbiter Discovery for STS-119, STS- 128, STS-131 and STS-133 as well as Space Shuttle Orbiter Endeavour for STS-134, a significant ground test campaign was completed. The primary goals of the test campaign were to provide ground test data to support the planning and safety certification efforts required to fly the flight experiment as well as validation for the collected flight data. These test included Arcjet testing of the tile protuberance, aerothermal testing to determine the boundary layer transition behavior and resultant surface heating and planar laser induced fluorescence (PLIF) testing in order to gain a better understanding of the flow field characteristics associated with the flight experiment. This paper provides an overview of the BLT FE Project ground testing. High-level overviews of the facilities, models, test techniques and data are presented, along with a summary of the insights gained from each test.

7. Modeling volatility using state space models.

PubMed

Timmer, J; Weigend, A S

1997-08-01

In time series problems, noise can be divided into two categories: dynamic noise which drives the process, and observational noise which is added in the measurement process, but does not influence future values of the system. In this framework, we show that empirical volatilities (the squared relative returns of prices) exhibit a significant amount of observational noise. To model and predict their time evolution adequately, we estimate state space models that explicitly include observational noise. We obtain relaxation times for shocks in the logarithm of volatility ranging from three weeks (for foreign exchange) to three to five months (for stock indices). In most cases, a two-dimensional hidden state is required to yield residuals that are consistent with white noise. We compare these results with ordinary autoregressive models (without a hidden state) and find that autoregressive models underestimate the relaxation times by about two orders of magnitude since they do not distinguish between observational and dynamic noise. This new interpretation of the dynamics of volatility in terms of relaxators in a state space model carries over to stochastic volatility models and to GARCH models, and is useful for several problems in finance, including risk management and the pricing of derivative securities. Data sets used: Olsen & Associates high frequency DEM/USD foreign exchange rates (8 years). Nikkei 225 index (40 years). Dow Jones Industrial Average (25 years). PMID:9730016

8. Markov chain evaluation of acute postoperative pain transition states.

PubMed

Tighe, Patrick J; Bzdega, Matthew; Fillingim, Roger B; Rashidi, Parisa; Aytug, Haldun

2016-03-01

Previous investigations on acute postoperative pain dynamicity have focused on daily pain assessments, and so were unable to examine intraday variations in acute pain intensity. We analyzed 476,108 postoperative acute pain intensity ratings, which were clinically documented on postoperative days 1 to 7 from 8346 surgical patients using Markov chain modeling to describe how patients are likely to transition from one pain state to another in a probabilistic fashion. The Markov chain was found to be irreducible and positive recurrent, with no absorbing states. Transition probabilities ranged from 0.0031, for the transition from state 10 to state 1, to 0.69 for the transition from state 0 to state 0. The greatest density of transitions was noted in the diagonal region of the transition matrix, suggesting that patients were generally most likely to transition to the same pain state as their current state. There were also slightly increased probability densities in transitioning to a state of asleep or 0 from the current state. An examination of the number of steps required to traverse from a particular first pain score to a target state suggested that overall, fewer steps were required to reach a state of 0 (range 6.1-8.8 steps) or asleep (range 9.1-11) than were required to reach a mild pain intensity state. Our results suggest that using Markov chains is a feasible method for describing probabilistic postoperative pain trajectories, pointing toward the possibility of using Markov decision processes to model sequential interactions between pain intensity ratings, and postoperative analgesic interventions. PMID:26588689

9. 40 CFR 70.4 - State program submittals and transition.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 16 2014-07-01 2014-07-01 false State program submittals and... PROGRAMS (CONTINUED) STATE OPERATING PERMIT PROGRAMS § 70.4 State program submittals and transition. (a... Administrator for approval a proposed part 70 program, under State law or under an interstate compact,...

10. 40 CFR 70.4 - State program submittals and transition.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 16 2012-07-01 2012-07-01 false State program submittals and... PROGRAMS (CONTINUED) STATE OPERATING PERMIT PROGRAMS § 70.4 State program submittals and transition. (a... Administrator for approval a proposed part 70 program, under State law or under an interstate compact,...

11. 40 CFR 70.4 - State program submittals and transition.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 16 2013-07-01 2013-07-01 false State program submittals and... PROGRAMS (CONTINUED) STATE OPERATING PERMIT PROGRAMS § 70.4 State program submittals and transition. (a... Administrator for approval a proposed part 70 program, under State law or under an interstate compact,...

12. The folding transition state theory in simple model systems

Niewieczerzał, Szymon; Cieplak, Marek

2008-06-01

We present the results of an exact analysis of several model free energy landscapes of a protein to clarify the notion of the transition state and the physical meaning of the phi values determined in protein engineering experiments. We argue that a proper search strategy for the transition state in more realistic models should involve identification of a common part of various methods. Two of the models considered involve explicit conformations instead of just points on the free energy axis. These models are minimalistic as they are endowed only with five or 36 states to enumerate folding paths and to identify the transition state easily. Even though they display much of the two-state behavior, the phi values are found not to correspond to the conformation of the transition state.

13. The State of Space Propulsion Research

NASA Technical Reports Server (NTRS)

Sackheim, R. L.; Cole, J. W.; Litchford, R. J.

2006-01-01

The current state of space propulsion research is assessed from both a historical perspective, spanning the decades since Apollo, and a forward-looking perspective, as defined by the enabling technologies required for a meaningful and sustainable human and robotic exploration program over the forthcoming decades. Previous research and technology investment approaches are examined and a course of action suggested for obtaining a more balanced portfolio of basic and applied research. The central recommendation is the establishment of a robust national Space Propulsion Research Initiative that would run parallel with systems development and include basic research activities. The basic framework and technical approach for this proposed initiative are defined and a potential implementation approach is recommended.

14. Transition State Structure of RNA Depurination by Saporin L3.

PubMed

Yuan, Hongling; Stratton, Christopher F; Schramm, Vern L

2016-05-20

Saporin L3 from the leaves of the common soapwort is a catalyst for hydrolytic depurination of adenine from RNA. Saporin L3 is a type 1 ribosome inactivating protein (RIP) composed only of a catalytic domain. Other RIPs have been used in immunotoxin cancer therapy, but off-target effects have limited their development. In the current study, we use transition state theory to understand the chemical mechanism and transition state structure of saporin L3. In favorable cases, transition state structures guide the design of transition state analogues as inhibitors. Kinetic isotope effects (KIEs) were determined for an A14C mutant of saporin L3. To permit KIE measurements, small stem-loop RNAs that contain an AGGG tetraloop structure were enzymatically synthesized with the single adenylate bearing specific isotopic substitutions. KIEs were measured and corrected for forward commitment to obtain intrinsic values. A model of the transition state structure for depurination of stem-loop RNA (5'-GGGAGGGCCC-3') by saporin L3 was determined by matching KIE values predicted via quantum chemical calculations to a family of intrinsic KIEs. This model indicates saporin L3 displays a late transition state with the N-ribosidic bond to the adenine nearly cleaved, and the attacking water nucleophile weakly bonded to the ribosyl anomeric carbon. The transition state retains partial ribocation character, a feature common to most N-ribosyl transferases. However, the transition state geometry for saporin L3 is distinct from ricin A-chain, the only other RIP whose transition state is known. PMID:26886255

15. Momentum space imaging of the FFLO state

Akbari, Alireza; Thalmeier, Peter

2016-06-01

In a magnetic field superconductors (SC) with small orbital effect exhibit the Fulde–Ferrell–Larkin–Ovchinnikov (FFLO) phase above the Pauli limiting field. It is characterized by Cooper pairs with finite center of mass momentum and is stabilized by the gain in Zeeman energy of depaired electrons in the imbalanced Fermi gas. The ground state is a coherent superposition of paired and depaired states. This concept, although central to the FFLO state lacks a direct experimental confirmation. We propose that STM quasiparticle interference (QPI) can give a direct momentum space image of the depaired states in the FFLO wave function. For a proof of principle we investigate a 2D single orbital tight binding model with a SC s-wave order parameter. Using the equilibrium values of pair momentum and SC gap we calculate the spectral function of quasiparticles and associated QPI spectrum as function of magnetic field. We show that the characteristic depaired Fermi surface parts appear as a fingerprint in the QPI spectrum of the FFLO phase and we demonstrate its evolution with field strength. Its observation in STM experiments would constitute a direct proof for FFLO ground state wave function.

16. Morse bifurcations of transition states in bimolecular reactions

MacKay, R. S.; Strub, D. C.

2015-12-01

The transition states and dividing surfaces used to find rate constants for bimolecular reactions are shown to undergo Morse bifurcations, in which they change diffeomorphism class, and to exist for a large range of energies, not just immediately above the critical energy for first connection between reactants and products. Specifically, we consider capture between two molecules and the associated transition states for the case of non-zero angular momentum and general attitudes. The capture between an atom and a diatom, and then a general molecule are presented, providing concrete examples of Morse bifurcations of transition states and dividing surfaces.

17. Theory of Interface States at Silicon / Transition - - Silicide Interfaces.

Lim, Hunhwa

The Si/NiSi(,2)(111) interface is of both fundamental and techno- logical interest: From the fundamental point of view, it is the best characterized of all semiconductor/metal interfaces, with two well-determined geometries (A and B) involving nearly perfect bonding. (This is because Si and NiSi(,2) have nearly the same lattice spacing.) Consequently, a theoretical treatment of this system makes sense--as it would not for messier systems--and one can have some confidence that the theoretical predictions are relevant to experimental observa- tions. From the technological point of view, Si/NiSi(,2) is representative of the class of semiconductor/metal interfaces that are currently of greatest interest in regard to electronic devices--Si/transition -metal-silicide interfaces. The calculations of this dissertation are for the intrinsic interface states of Si/NiSi(,2)-A geometry. These calculations also provide a foundation for later studies of defects at this interface, and for studies of other related systems, such as CoSi(,2). The calculations employ empirical tight-binding Hamiltonians for both Si and NiSi(,2) (with the parameters fitted to prior calculations of the bulk band structures, which appear to be in agreement with the available experimental data on bulk Si and NiSi(,2)). They also employ Green's function techniques--in particular, the subspace Hamiltonian technique. Our principal results are the following: (1) Interface state disper- sion curves are predicted along the symmetry lines (')(GAMMA)(')M, (')M(')K and (')K(')(GAMMA) of the surface Brillouin zone. (2) A prominent band of interface states is found which disperses downward from an energy within the Si band gap to an energy below the Si valence band edge E(,(upsilon)) as the planar wavevector (')k increases from (')(GAMMA) ((')k = 0) to (')M or (')K (symmetry points at boundary of the surface Brillouin zone). This band of inter- face states should be observable. It produces a peak in the surface

18. Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes

SciTech Connect

Wu, Kunlin; Bai, Meilin; Hou, Shimin; Sanvito, Stefano

2014-07-07

The transition voltage of vacuum-spaced and molecular junctions constructed with Ag and Pt electrodes is investigated by non-equilibrium Green's function formalism combined with density functional theory. Our calculations show that, similarly to the case of Au-vacuum-Au previously studied, the transition voltages of Ag and Pt metal-vacuum-metal junctions with atomic protrusions on the electrode surface are determined by the local density of states of the p-type atomic orbitals of the protrusion. Since the energy position of the Pt 6p atomic orbitals is higher than that of the 5p/6p of Ag and Au, the transition voltage of Pt-vacuum-Pt junctions is larger than that of both Ag-vacuum-Ag and Au-vacuum-Au junctions. When one moves to analyzing asymmetric molecular junctions constructed with biphenyl thiol as central molecule, then the transition voltage is found to depend on the specific bonding site for the sulfur atom in the thiol group. In particular agreement with experiments, where the largest transition voltage is found for Ag and the smallest for Pt, is obtained when one assumes S binding at the hollow-bridge site on the Ag/Au(111) surface and at the adatom site on the Pt(111) one. This demonstrates the critical role played by the linker-electrode binding geometry in determining the transition voltage of devices made of conjugated thiol molecules.

19. 45 CFR 150.221 - Transition to State enforcement.

Code of Federal Regulations, 2011 CFR

2011-10-01

... Determining Whether States Are Failing To Substantially Enforce HIPAA Requirements § 150.221 Transition to... enacted and implemented legislation to enforce HIPAA requirements and also determines that it...

20. 45 CFR 150.221 - Transition to State enforcement.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Determining Whether States Are Failing To Substantially Enforce HIPAA Requirements § 150.221 Transition to... enacted and implemented legislation to enforce HIPAA requirements and also determines that it...

1. 45 CFR 150.221 - Transition to State enforcement.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Determining Whether States Are Failing To Substantially Enforce HIPAA Requirements § 150.221 Transition to... enacted and implemented legislation to enforce HIPAA requirements and also determines that it...

2. Grassland-shrubland state transitions in arid lands: Competition matters

Technology Transfer Automated Retrieval System (TEKTRAN)

Background/Question/Methods: State transition from grassland to shrubland is synonymous with desertification in many dryland systems. The classic desertification model emphasizes abiotic feedbacks that modify the physical environment in ways that promote shrub proliferation and impede grass survival...

3. Transition state theory and the dynamics of hard disks

Barnett-Jones, M.; Dickinson, P. A.; Godfrey, M. J.; Grundy, T.; Moore, M. A.

2013-11-01

The dynamics of two- and five-disk systems confined in a square has been studied using molecular dynamics simulations and compared with the predictions of transition state theory. We determine the partition functions Z and Z‡ of transition state theory using a procedure first used by Salsburg and Wood for the pressure. Our simulations show this procedure and transition state theory are in excellent agreement with the simulations. A generalization of the transition state theory to the case of a large number of disks N is made and shown to be in full agreement with simulations of disks moving in a narrow channel. The same procedure for hard spheres in three dimensions leads to the Vogel-Fulcher-Tammann formula for their alpha relaxation time.

4. The photon-plasmon transitions and diagnostics of the space plasma turbulence

Glushkov, Alexander; Glushkov, Alexander; Khetselius, Olga

We present a new approach to treating the space plasma turbulence, based on using to make diagnostic data regarding the photon-plasmon transitions. The theoretical definition of characteristics for these transitions is caried out within consistent theoretical approach, based on the Gell-Mann and Low formalism (energy approach in QED theory).We apply it to calculation of such transitions (Ps) with emission of photon and Langmuir quanta. It is well known that the hfs states of positronium Ps Ps differ in spin S, life time t and mode of annihilation. As a rule, probabilities of the cascade radiation transitions are more than the annihilation probability. The ortho-Ps atom has a metastable state 23s1 and probability of two-photon radiation transition from this state into 13s1 state (1.8•10(-3) 1/s) is significantly less than probability of the three-photon annihilation directly from 23s1level 8.9•10(5) s(-1), i.e. it is usually supposed that the ortho-Ps annihilates from 23s1state. Another situation may take place in plasma, where it is arisen the competition process of destruction of the metastable level - the photonplasmon transition 23s1-13s1with emission of photon and Langmuir quanta. In this paper we carried out the calculation of the probability of the Ps photon-plasmon transition and propose tu use it for diagnostics of the space plasma (dusty one etc.).Standard S-matrix calculation with using an expression for tensor of dielectric permeability of the isotropic space plasma and dispersion relationships for transverse and Langmuir waves [3] allows getting the corresponding probability P(ph-pl). Numerical value of P(ph-pl) is 5.2•10(6)•UL(s-1), where UL is density of the Langmuir waves energy. Our value is correlated with estimate, available in literature [3]: P(phpl)= 6•10(6)•UL (s-1). Comparison of the obtained probability with the life time t(3) allows getting the condition of predominance of the photon-plasmon transition over three

5. Interplanetary Transit Simulations Using the International Space Station

NASA Technical Reports Server (NTRS)

Charles, J. B.; Arya, Maneesh

2010-01-01

It has been suggested that the International Space Station (ISS) be utilized to simulate the transit portion of long-duration missions to Mars and near-Earth asteroids (NEA). The ISS offers a unique environment for such simulations, providing researchers with a high-fidelity platform to study, enhance, and validate technologies and countermeasures for these long-duration missions. From a space life sciences perspective, two major categories of human research activities have been identified that will harness the various capabilities of the ISS during the proposed simulations. The first category includes studies that require the use of the ISS, typically because of the need for prolonged weightlessness. The ISS is currently the only available platform capable of providing researchers with access to a weightless environment over an extended duration. In addition, the ISS offers high fidelity for other fundamental space environmental factors, such as isolation, distance, and accessibility. The second category includes studies that do not require use of the ISS in the strictest sense, but can exploit its use to maximize their scientific return more efficiently and productively than in ground-based simulations. In addition to conducting Mars and NEA simulations on the ISS, increasing the current increment duration on the ISS from 6 months to a longer duration will provide opportunities for enhanced and focused research relevant to long-duration Mars and NEA missions. Although it is currently believed that increasing the ISS crew increment duration to 9 or even 12 months will pose little additional risk to crewmembers, additional medical monitoring capabilities may be required beyond those currently used for the ISS operations. The use of the ISS to simulate aspects of Mars and NEA missions seems practical, and it is recommended that planning begin soon, in close consultation with all international partners.

6. Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states

Qiao, Qin; Zhang, Hou-Dao; Huang, Xuhui

2016-04-01

Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.

7. Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states.

PubMed

Qiao, Qin; Zhang, Hou-Dao; Huang, Xuhui

2016-04-21

Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments. PMID:27389209

8. Edge States in Transitional Pipe Flow

Schneider, Tobias M.; Eckhardt, Bruno

2006-11-01

We study the boundary of the laminar region near the onset of turbulence. Approaching the boundary from the laminar side, the lifetime of perturbations increases, diverges when the boundary is reached, and varies chaotically for larger amplitudes. In the chaotic region, lifetimes vary sensitively with amplitude, consistent with the strange saddle picture of the turbulence proposed earlier. The trajectory on the edge between the laminar and chaotic regions is asymptotic to a single well defined state, essentially independent of the type of perturbation. The edge then becomes the stable manifold of this structure. In the case of a model shear flow, the edge states are simple or period doubled or chaotic trajectories. In the case of pipe flow the edge state seems to remain close to a state with simple vortical structure. Edge of Chaos in a Parallel Shear Flow, Joseph D. Skufca, James A. Yorke, and Bruno Eckhardt, Phys. Rev. Lett. 96, 174101 (2006)

9. State Machine Modeling of the Space Launch System Solid Rocket Boosters

NASA Technical Reports Server (NTRS)

Harris, Joshua A.; Patterson-Hine, Ann

2013-01-01

The Space Launch System is a Shuttle-derived heavy-lift vehicle currently in development to serve as NASA's premiere launch vehicle for space exploration. The Space Launch System is a multistage rocket with two Solid Rocket Boosters and multiple payloads, including the Multi-Purpose Crew Vehicle. Planned Space Launch System destinations include near-Earth asteroids, the Moon, Mars, and Lagrange points. The Space Launch System is a complex system with many subsystems, requiring considerable systems engineering and integration. To this end, state machine analysis offers a method to support engineering and operational e orts, identify and avert undesirable or potentially hazardous system states, and evaluate system requirements. Finite State Machines model a system as a finite number of states, with transitions between states controlled by state-based and event-based logic. State machines are a useful tool for understanding complex system behaviors and evaluating "what-if" scenarios. This work contributes to a state machine model of the Space Launch System developed at NASA Ames Research Center. The Space Launch System Solid Rocket Booster avionics and ignition subsystems are modeled using MATLAB/Stateflow software. This model is integrated into a larger model of Space Launch System avionics used for verification and validation of Space Launch System operating procedures and design requirements. This includes testing both nominal and o -nominal system states and command sequences.

10. Thermal effects and space-charge limited transition in crossed-field devices

SciTech Connect

Marini, Samuel; Rizzato, Felipe B.; Pakter, Renato

2014-08-15

A fully kinetic model for the electron flow in a crossed field device is derived and used to determine the system stationary states. It is found that for low injection temperatures, there is a simultaneous presence of distinct stationary solutions and an abrupt transition between accelerating and space-charge limited regimes. On the other hand, for high injection temperatures, there is only a single stationary solution branch and the change between the regimes becomes continuous. For intermediate temperatures, it is then identified a critical point that separates the abrupt and continuous behaviors. It is also investigated how intrinsic space-charge oscillations may drive stationary states unstable in certain parameter regimes. The results are verified with N-particle self-consistent simulations.

11. Mental health work with Gulf War evacuees: the use of a transitional therapeutic space.

PubMed

Benyakar, M; Kretsch, R; Baruch, E

1994-01-01

This paper describes the intervention of a mental health team formed during the Persian Gulf War to provide assistance to people evacuated from their homes after they were seriously damaged or destroyed by Iraqi Scud missiles. The intervention was based on the view that a crisis upsets the person's emotional equilibrium, resulting in a new and alien emotional state, which is frightening to the person involved by virtue of its strangeness. The disturbance may result in the development of a frozen, rigid unadaptive internal state, i.e. trauma. The mental health team used the interaction between external and internal realities, within a transitional space which enabled the development of a potential space. PMID:7928296

12. Polymorphic phase transitions in systems evolving in a two-dimensional discrete space.

PubMed

1999-08-01

Polymorphic phase transitions in systems evolving in a two-dimensional discrete space have been studied. The driving force of the transitions appears to be a difference between two main energetic contributions: one, related to the thermal activation of the process, and another, being of quantum nature. The former (high temperature limit) is naturally assigned to the expansion (melting) part of the transition, while the latter (low temperature limit) has much in common with the contraction (solidification) part. Between the two main physical states distinguished, there exists a certain state, corresponding to a discontinuity point (pole) in the morphological phase diagram, represented by the well-known Bose-Einstein (Planck) formula, in which the system blows up. This point is related to an expected situation in which the contour of the object under investigation stands for the Brownian or purely diffusional path, with the fractal dimension dw=2, and the situation can be interpreted as some emergence of an intermediate "tetratic" phase. This, in turn, recalls a certain analogy to the equilibrium (order-disorder) phase transition of Kosterlitz-Thouless type, characteristic of, e.g., rough vs rigid interfaces in a two-dimensional space, with some disappearance of interface correlation length at dw=2. Otherwise, the contours of the objects are equivalent to fractional Brownian paths either in superlinear or "turbulent" (dw<2; the expansion case), or sublinear, viz., anomalously slow (dw>2; the contraction case) regimes, respectively. It is hoped that the description offered will serve to reflect properly the main subtleties of the dynamics of the polymorphic transitions in complex "soft-matter" systems, like formation of lipid mesomorphs or diffusional patterns, with nonzero line tension effect. PMID:11969883

13. Performance and state-space analyses of systems using Petri nets

NASA Technical Reports Server (NTRS)

Watson, James Francis, III

1992-01-01

The goal of any modeling methodology is to develop a mathematical description of a system that is accurate in its representation and also permits analysis of structural and/or performance properties. Inherently, trade-offs exist between the level detail in the model and the ease with which analysis can be performed. Petri nets (PN's), a highly graphical modeling methodology for Discrete Event Dynamic Systems, permit representation of shared resources, finite capacities, conflict, synchronization, concurrency, and timing between state changes. By restricting the state transition time delays to the family of exponential density functions, Markov chain analysis of performance problems is possible. One major drawback of PN's is the tendency for the state-space to grow rapidly (exponential complexity) compared to increases in the PN constructs. It is the state space, or the Markov chain obtained from it, that is needed in the solution of many problems. The theory of state-space size estimation for PN's is introduced. The problem of state-space size estimation is defined, its complexities are examined, and estimation algorithms are developed. Both top-down and bottom-up approaches are pursued, and the advantages and disadvantages of each are described. Additionally, the author's research in non-exponential transition modeling for PN's is discussed. An algorithm for approximating non-exponential transitions is developed. Since only basic PN constructs are used in the approximation, theory already developed for PN's remains applicable. Comparison to results from entropy theory show the transition performance is close to the theoretic optimum. Inclusion of non-exponential transition approximations improves performance results at the expense of increased state-space size. The state-space size estimation theory provides insight and algorithms for evaluating this trade-off.

14. Precritical State Transition Dynamics in the Attractor Landscape of a Molecular Interaction Network Underlying Colorectal Tumorigenesis

PubMed Central

Cho, Kwang-Hyun

2015-01-01

From the perspective of systems science, tumorigenesis can be hypothesized as a critical transition (an abrupt shift from one state to another) between proliferative and apoptotic attractors on the state space of a molecular interaction network, for which an attractor is defined as a stable state to which all initial states ultimately converge, and the region of convergence is called the basin of attraction. Before the critical transition, a cellular state might transit between the basin of attraction for an apoptotic attractor and that for a proliferative attractor due to the noise induced by the inherent stochasticity in molecular interactions. Such a flickering state transition (state transition between the basins of attraction for alternative attractors from the impact of noise) would become more frequent as the cellular state approaches near the boundary of the basin of attraction, which can increase the variation in the estimate of the respective basin size. To investigate this for colorectal tumorigenesis, we have constructed a stochastic Boolean network model of the molecular interaction network that contains an important set of proteins known to be involved in cancer. In particular, we considered 100 representative sequences of 20 gene mutations that drive colorectal tumorigenesis. We investigated the appearance of cancerous cells by examining the basin size of apoptotic, quiescent, and proliferative attractors along with the sequential accumulation of gene mutations during colorectal tumorigenesis. We introduced a measure to detect the flickering state transition as the variation in the estimate of the basin sizes for three-phenotype attractors from the impact of noise. Interestingly, we found that this measure abruptly increases before a cell becomes cancerous during colorectal tumorigenesis in most of the gene mutation sequences under a certain level of stochastic noise. This suggests that a frequent flickering state transition can be a precritical

15. Solid state neutron dosimeter for space applications

SciTech Connect

Nagarkar, V.; Entine, G.; Stoppel, P.; Cirignano, L. ); Swinehart, P. )

1992-08-01

One of the most important contributions to the radiation exposure of astronauts engaged in space flight is the significant flux of high energy neutrons arising from both primary and secondary sources of ionizing radiation. Under NASA sponsorship, the authors are developing a solid state neutron sensor capable of being incorporated into a very compact, flight instrument to provide high quality real time measurement of this important radiation flux. The dosimeter uses a special, high neutron sensitivity, PIN diode that is insensitive t the other forms of ionizing radiation. The dosimeter will have the ability to measure and record neutron dose over a range of 50 microgray to tens of milligrays (5 millirads to several rads) over a flight of up to 30 days. the performance characteristics of the PIN diode with a detailed description of the overall dosimeter is presented. in this paper.

16. Presence of state transitions in the cryptophyte alga Guillardia theta

PubMed Central

Cheregi, Otilia; Kotabová, Eva; Prášil, Ondřej; Schröder, Wolfgang P.; Kaňa, Radek; Funk, Christiane

2015-01-01

Plants and algae have developed various regulatory mechanisms for optimal delivery of excitation energy to the photosystems even during fluctuating light conditions; these include state transitions as well as non-photochemical quenching. The former process maintains the balance by redistributing antennae excitation between the photosystems, meanwhile the latter by dissipating excessive excitation inside the antennae. In the present study, these mechanisms have been analysed in the cryptophyte alga Guillardia theta. Photoprotective non-photochemical quenching was observed in cultures only after they had entered the stationary growth phase. These cells displayed a diminished overall photosynthetic efficiency, measured as CO2 assimilation rate and electron transport rate. However, in the logarithmic growth phase G. theta cells redistributed excitation energy via a mechanism similar to state transitions. These state transitions were triggered by blue light absorbed by the membrane integrated chlorophyll a/c antennae, and green light absorbed by the lumenal biliproteins was ineffective. It is proposed that state transitions in G. theta are induced by small re-arrangements of the intrinsic antennae proteins, resulting in their coupling/uncoupling to the photosystems in state 1 or state 2, respectively. G. theta therefore represents a chromalveolate algae able to perform state transitions. PMID:26254328

17. Presence of state transitions in the cryptophyte alga Guillardia theta.

PubMed

Cheregi, Otilia; Kotabová, Eva; Prášil, Ondřej; Schröder, Wolfgang P; Kaňa, Radek; Funk, Christiane

2015-10-01

Plants and algae have developed various regulatory mechanisms for optimal delivery of excitation energy to the photosystems even during fluctuating light conditions; these include state transitions as well as non-photochemical quenching. The former process maintains the balance by redistributing antennae excitation between the photosystems, meanwhile the latter by dissipating excessive excitation inside the antennae. In the present study, these mechanisms have been analysed in the cryptophyte alga Guillardia theta. Photoprotective non-photochemical quenching was observed in cultures only after they had entered the stationary growth phase. These cells displayed a diminished overall photosynthetic efficiency, measured as CO2 assimilation rate and electron transport rate. However, in the logarithmic growth phase G. theta cells redistributed excitation energy via a mechanism similar to state transitions. These state transitions were triggered by blue light absorbed by the membrane integrated chlorophyll a/c antennae, and green light absorbed by the lumenal biliproteins was ineffective. It is proposed that state transitions in G. theta are induced by small re-arrangements of the intrinsic antennae proteins, resulting in their coupling/uncoupling to the photosystems in state 1 or state 2, respectively. G. theta therefore represents a chromalveolate algae able to perform state transitions. PMID:26254328

18. Space and time renormalization in phase transition dynamics

DOE PAGESBeta

Francuz, Anna; Dziarmaga, Jacek; Gardas, Bartłomiej; Zurek, Wojciech H.

2016-02-18

Here, when a system is driven across a quantum critical point at a constant rate, its evolution must become nonadiabatic as the relaxation time τ diverges at the critical point. According to the Kibble-Zurek mechanism (KZM), the emerging post-transition excited state is characterized by a finite correlation length ξˆ set at the time tˆ=τˆ when the critical slowing down makes it impossible for the system to relax to the equilibrium defined by changing parameters. This observation naturally suggests a dynamical scaling similar to renormalization familiar from the equilibrium critical phenomena. We provide evidence for such KZM-inspired spatiotemporal scaling by investigatingmore » an exact solution of the transverse field quantum Ising chain in the thermodynamic limit.« less

19. The transition to the metallic state in low density hydrogen

SciTech Connect

McMinis, Jeremy; Morales, Miguel A.; Ceperley, David M.; Kim, Jeongnim

2015-11-21

Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for theoretical methods. As a result, the order and density of the phase transition are still subject to debate. In this work, we use diffusion quantum Monte Carlo to benchmark the transition between paramagnetic and anti-ferromagnetic body centered cubic atomic hydrogen in its ground state. We locate the density of the transition by computing the equation of state for these two phases and identify the phase transition order by computing the band gap near the phase transition. These benchmark results show that the phase transition is continuous and occurs at a Wigner-Seitz radius of r{sub s} = 2.27(3) a{sub 0}. We compare our results to previously reported density functional theory, Hedin’s GW approximation, and dynamical mean field theory results.

20. The transition to the metallic state in low density hydrogen

SciTech Connect

McMinis, Jeremy; Morales, Miguel A.; Ceperley, David M.; Kim, Jeongnim

2015-11-18

Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for theoretical methods. As a result, the order and density of the phase transition are still subject to debate. In this work we use diffusion quantum Monte Carlo to benchmark the transition between the paramagnetic and anti-ferromagnetic phases of ground state body centered cubic atomic hydrogen. We locate the density of the transition by computing the equation of state for these two phases and identify the phase transition order by computing the band gap near the phase transition. These benchmark results show that the phase transition is continuous and occurs at a Wigner-Seitz radius of rs = 2.27(3)a0. As a result, we compare our results to previously reported density functional theory, Hedin s GW approximation, and dynamical mean field theory results.

1. United States/Russia Space Cooperation Documentary

NASA Technical Reports Server (NTRS)

1993-01-01

This video documents the initiative to develop a multinational, permanent space research laboratory. Historical background on the U.S. and Soviet manned space flight program as well as joint efforts such as the Apollo-Soyuz link up is shown. The current initiative will begin with collaborative missions involving NASA's space shuttle and Russia's Mir space station, and culminate in a permanently manned space station involving the U.S., Russia, Japan, Canada, and ESA. Shown are computer simulations of the proposed space station. Commentary is provided by the NASA administrator, former astronauts, cosmonauts, and Russian and American space experts.

2. Transition State Analysis of Thymidine Hydrolysis by Human Thymidine Phosphorylase*

PubMed Central

Schwartz, Phillip A.; Vetticatt, Mathew; Schramm, Vern L.

2010-01-01

Human thymidine phosphorylase (hTP) is responsible for thymidine (dT) homeostasis and its action promotes angiogenesis. In the absence of phosphate, hTP catalyzes a slow hydrolytic depyrimidination of dT yielding thymine and 2-deoxyribose (dRib). Its transition state was characterized using multiple kinetic isotope effect (KIE) measurements. Isotopically enriched thymidines were synthesized enzymatically from glucose or (deoxy)ribose and intrinsic KIEs were used to interpret the transition state structure. KIEs from [1′-14C]-, [1-15N]-, [1′-3H]-, [2′R-3H]-, [2′S-3H]-, [4′-3H]-, [5′-3H]dTs provided values of 1.033 ± 0.002, 1.004 ± 0.002, 1.325 ± 0.003, 1.101 ± 0.004, 1.087 ± 0.005, 1.040 ± 0.003, and 1.033 ± 0.003, respectively. Transition state analysis revealed a stepwise mechanism with a 2-deoxyribocation formed early and a higher energetic barrier for nucleophilic attack of a water molecule on the high energy intermediate. An equilibrium exists between the deoxyribocation and reactants prior to the irreversible nucleophilic attack by water. The results establish activation of the thymine leaving group without requirement for phosphate. A transition state constrained to match the intrinsic KIEs was found using density functional theory. An active site histidine (His116) is implicated as the catalytic base for activation of the water nucleophile at the rate-limiting transition state. The distance between the water nucleophile and the anomeric carbon (rC-O) is predicted to be 2.3 Å at the transition state. The transition state model predicts that deoxyribose adopts a mild 3′-endo confirmation during nucleophilic capture. These results differ from the concerted bimolecular mechanism reported for the arsenolytic reaction PMID:20804144

3. Exploring the Conformational Transitions of Biomolecular Systems Using a Simple Two-State Anisotropic Network Model

PubMed Central

Jo, Sunhwan; Bahar, Ivet; Roux, Benoît

2014-01-01

Biomolecular conformational transitions are essential to biological functions. Most experimental methods report on the long-lived functional states of biomolecules, but information about the transition pathways between these stable states is generally scarce. Such transitions involve short-lived conformational states that are difficult to detect experimentally. For this reason, computational methods are needed to produce plausible hypothetical transition pathways that can then be probed experimentally. Here we propose a simple and computationally efficient method, called ANMPathway, for constructing a physically reasonable pathway between two endpoints of a conformational transition. We adopt a coarse-grained representation of the protein and construct a two-state potential by combining two elastic network models (ENMs) representative of the experimental structures resolved for the endpoints. The two-state potential has a cusp hypersurface in the configuration space where the energies from both the ENMs are equal. We first search for the minimum energy structure on the cusp hypersurface and then treat it as the transition state. The continuous pathway is subsequently constructed by following the steepest descent energy minimization trajectories starting from the transition state on each side of the cusp hypersurface. Application to several systems of broad biological interest such as adenylate kinase, ATP-driven calcium pump SERCA, leucine transporter and glutamate transporter shows that ANMPathway yields results in good agreement with those from other similar methods and with data obtained from all-atom molecular dynamics simulations, in support of the utility of this simple and efficient approach. Notably the method provides experimentally testable predictions, including the formation of non-native contacts during the transition which we were able to detect in two of the systems we studied. An open-access web server has been created to deliver ANMPathway results

4. A Markovian state-space framework for integrating flexibility into space system design decisions

Lafleur, Jarret M.

The past decades have seen the state of the art in aerospace system design progress from a scope of simple optimization to one including robustness, with the objective of permitting a single system to perform well even in off-nominal future environments. Integrating flexibility, or the capability to easily modify a system after it has been fielded in response to changing environments, into system design represents a further step forward. One challenge in accomplishing this rests in that the decision-maker must consider not only the present system design decision, but also sequential future design and operation decisions. Despite extensive interest in the topic, the state of the art in designing flexibility into aerospace systems, and particularly space systems, tends to be limited to analyses that are qualitative, deterministic, single-objective, and/or limited to consider a single future time period. To address these gaps, this thesis develops a stochastic, multi-objective, and multi-period framework for integrating flexibility into space system design decisions. Central to the framework are five steps. First, system configuration options are identified and costs of switching from one configuration to another are compiled into a cost transition matrix. Second, probabilities that demand on the system will transition from one mission to another are compiled into a mission demand Markov chain. Third, one performance matrix for each design objective is populated to describe how well the identified system configurations perform in each of the identified mission demand environments. The fourth step employs multi-period decision analysis techniques, including Markov decision processes from the field of operations research, to find efficient paths and policies a decision-maker may follow. The final step examines the implications of these paths and policies for the primary goal of informing initial system selection. Overall, this thesis unifies state-centric concepts of

5. Strain glass state as the boundary of two phase transitions

Zhou, Zhijian; Cui, Jian; Ren, Xiaobing

2015-08-01

A strain glass state was found to be located between B2-B19’ (cubic to monoclinic) phase transition and B2-R (cubic to rhombohedral) phase transition in Ti49Ni51 alloys after aging process. After a short time aging, strong strain glass transition was observed, because the size of the precipitates is small, which means the strain field induced by the precipitates is isotropic and point-defect-like, and the distribution of the precipitates is random. After a long time aging, the average size of the precipitates increases. The strong strain field induced by the precipitates around them forces the symmetry of the matrix materials to conform to the symmetry of the crystalline structure of the precipitates, which results in the new phase transition. The experiment shows that there exists no well-defined boundary in the evolution from the strain glass transition to the new phase transition. Due to its generality, this glass mediated phase transition divergence scheme can be applied to other proper material systems to induce a more important new phase transition path, which can be useful in the field of phase transition engineering.

6. Strain glass state as the boundary of two phase transitions.

PubMed

Zhou, Zhijian; Cui, Jian; Ren, Xiaobing

2015-01-01

A strain glass state was found to be located between B2-B19' (cubic to monoclinic) phase transition and B2-R (cubic to rhombohedral) phase transition in Ti49Ni51 alloys after aging process. After a short time aging, strong strain glass transition was observed, because the size of the precipitates is small, which means the strain field induced by the precipitates is isotropic and point-defect-like, and the distribution of the precipitates is random. After a long time aging, the average size of the precipitates increases. The strong strain field induced by the precipitates around them forces the symmetry of the matrix materials to conform to the symmetry of the crystalline structure of the precipitates, which results in the new phase transition. The experiment shows that there exists no well-defined boundary in the evolution from the strain glass transition to the new phase transition. Due to its generality, this glass mediated phase transition divergence scheme can be applied to other proper material systems to induce a more important new phase transition path, which can be useful in the field of phase transition engineering. PMID:26307500

7. Resilience-based application of state-and-transition models

Technology Transfer Automated Retrieval System (TEKTRAN)

We recommend that several conceptual modifications be incorporated into the state-and-transition model (STM) framework to: 1) explicitly link this framework to the concept of ecological resilience, 2) direct management attention away from thresholds and toward the maintenance of state resilience, an...

8. Kinetic transitions in diffusion-reaction space. II. Geometrical effects

Kozak, John J.

1999-02-01

We extend the stochastic master equation approach described earlier [J. J. Kozak and R. Davidson, J. Chem. Phys. 101, 6101 (1994)] to examine the influence on reaction efficiency of multipolar correlations between a fixed target molecule and a diffusing coreactant, the latter constrained to move on the surface of a host medium (e.g., a colloidal catalyst or molecular organizate) modeled as a Cartesian shell [Euler characteristic, χ=2]. Our most comprehensive results are for processes involving ion pairs, and we find that there exists a transition between two qualitatively different types of behavior in diffusion-reaction space, viz., a regime where the coreactant's motion is totally correlated with respect to the target ion, and a regime where the coreactant's motion is effectively uncorrelated. This behavior emerges both in the situation where correlations between the ion pair are strictly confined to the surface of the host medium or where correlations can be propagated through the host medium. The effects of system size are also examined and comparisons with diffusion-reaction processes taking place on surfaces characterized by Euler characteristic χ=0 are made. In all cases studied, the most dramatic effects on the reaction efficiency are uncovered in the regime where the Onsager (thermalization) length is comparable to the mean displacement of the coreactant, a conclusion consistent with results reported in earlier work.

9. NASA's Space Launch System Transitions From Design To Production

NASA Technical Reports Server (NTRS)

Askins, Bruce R.; Robinson, Kimberly F.

2016-01-01

NASA's Space Launch System (SLS) successfully completed its Critical Design Review (CDR) in 2015, a major milestone on the journey to an unprecedented era of exploration for humanity. CDR formally marked the program's transition from design to production phase just four years after the program's inception and the first such milestone for a human launch vehicle in 40 years. While challenges typical of a complex development program lie ahead, CDR evaluators concluded that the design is technically and programmatically sound and ready to press forward to Design Certification Review (DCR) and readiness for launch of Exploration Mission 1 (EM-1) in the 2018 timeframe. SLS is prudently based on existing propulsion systems, infrastructure and knowledge with a clear, evolutionary path as required by mission needs. In its initial configuration, designated Block 1, SLS will a minimum of 70 metric tons (t) (154,324 pounds) of payload to low Earth orbit (LEO). It will evolve to a 130 t (286,601 pound) payload capacity by upgrading its engines, boosters, and upper stage, dramatically increasing the mass and volume of human and robotic exploration while decreasing mission risk, increasing safety, and simplifying ground and mission operations. CDR was the central programmatic accomplishment among many technical accomplishments that will be described in this paper. The government/industry SLS team successfully test-fired a flight-like five-segment solid rocket motor, as well as seven hotfire development tests of the RS-25 core stage engine. The majority of the major test article and flight barrels, rings, and domes for the core stage liquid oxygen, liquid hydrogen, engine section, intertank, and forward skirt were manufactured at NASA's Michoud Assembly Facility in New Orleans, Louisiana. Renovations to the B-2 test stand for stage green run testing were completed at NASA's Stennis Space Center (SSC), near Bay St. Louis, Mississippi. Core stage test stands are reaching completion

10. NASA's Space Launch Transitions: From Design to Production

NASA Technical Reports Server (NTRS)

2016-01-01

NASA's Space Launch System (SLS) successfully completed its Critical Design Review (CDR) in 2015, a major milestone on the journey to an unprecedented era of exploration for humanity. CDR formally marked the program's transition from design to production phase just four years after the program's inception and the first such milestone for a human launch vehicle in 40 years. While challenges typical of a complex development program lie ahead, CDR evaluators concluded that the design is technically and programmatically sound and ready to press forward to Design Certification Review (DCR) and readiness for launch of Exploration Mission 1 (EM-1) in the 2018 timeframe. SLS is prudently based on existing propulsion systems, infrastructure and knowledge with a clear, evolutionary path as required by mission needs. In its initial configuration, designated Block I, SLS will a minimum of 70 metric tons (t) of payload to low Earth orbit (LEO). It can evolve to a 130 t payload capacity by upgrading its engines, boosters, and upper stage, dramatically increasing the mass and volume of human and robotic exploration while decreasing mission risk, increasing safety, and simplifying ground and mission operations. CDR was the central programmatic accomplishment among many technical accomplishments that will be described in this paper. The government/industry SLS team successfully test fired a flight-like five-segment solid rocket motor, as well as seven hotfire development tests of the RS-25 core stage engine. The majority of the major test article and flight barrels, rings, and domes for the core stage liquid oxygen, liquid hydrogen, engine section, intertank, and forward skirt were manufactured at NASA's Michoud Assembly Facility. Renovations to the B-2 test stand for stage green run testing were completed at NASA Stennis Space Center. Core stage test stands are rising at NASA Marshall Space Flight Center. The modified Pegasus barge for core stage transportation from manufacturing

11. State-to-State Mode Specificity: Energy Sequestration and Flow Gated by Transition State.

PubMed

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-12-23

Energy flow and sequestration at the state-to-state level are investigated for a prototypical four-atom reaction, H2 + OH → H + H2O, using a transition-state wave packet (TSWP) method. The product state distribution is found to depend strongly on the reactant vibrational excitation, indicating mode specificity at the state-to-state level. From a local-mode perspective, it is shown that the vibrational excitation of the H2O product derives from two different sources, one attributable to the energy flow along the reaction coordinate into the newly formed OH bond and the other due to the sequestration of the vibrational energy in the OH spectator moiety during the reaction. The analysis provided a unified interpretation of some seemingly contradicting experimental observations. It is further shown that the transfer of vibrational energy from the OH reactant to H2O product is gated by the transition state, accomplished coherently by multiple TSWPs with the corresponding OH vibrational excitation. PMID:26613942

12. Exploring the phase space of multiple states in highly turbulent Taylor-Couette flow

van der Veen, Roeland C. A.; Huisman, Sander G.; Dung, On-Yu; Tang, Ho L.; Sun, Chao; Lohse, Detlef

2016-06-01

We investigate the existence of multiple turbulent states in highly turbulent Taylor-Couette flow in the range of Ta =1011 to 9 ×1012 by measuring the global torques and the local velocities while probing the phase space spanned by the rotation rates of the inner and outer cylinders. The multiple states are found to be very robust and are expected to persist beyond Ta =1013 . The rotation ratio is the parameter that most strongly controls the transitions between the flow states; the transitional values only weakly depend on the Taylor number. However, complex paths in the phase space are necessary to unlock the full region of multiple states. By mapping the flow structures for various rotation ratios in a Taylor-Couette setup with an equal radius ratio but a larger aspect ratio than before, multiple states are again observed. Here they are characterized by even richer roll structure phenomena, including an antisymmetrical roll state.

13. Glycosidase inhibition: assessing mimicry of the transition state

PubMed Central

2010-01-01

Glycoside hydrolases, the enzymes responsible for hydrolysis of the glycosidic bond in di-, oligo- and polysaccharides, and glycoconjugates, are ubiquitous in Nature and fundamental to existence. The extreme stability of the glycosidic bond has meant these enzymes have evolved into highly proficient catalysts, with an estimated 1017 fold rate enhancement over the uncatalysed reaction. Such rate enhancements mean that enzymes bind the substrate at the transition state with extraordinary affinity; the dissociation constant for the transition state is predicted to be 10–22 M. Inhibition of glycoside hydrolases has widespread application in the treatment of viral infections, such as influenza and HIV, lysosomal storage disorders, cancer and diabetes. If inhibitors are designed to mimic the transition state, it should be possible to harness some of the transition state affinity, resulting in highly potent and specific drugs. Here we examine a number of glycosidase inhibitors which have been developed over the past half century, either by Nature or synthetically by man. A number of criteria have been proposed to ascertain which of these inhibitors are true transition state mimics, but these features have only be critically investigated in a very few cases. PMID:20066263

14. The transition to the metallic state in low density hydrogen

DOE PAGESBeta

McMinis, Jeremy; Morales, Miguel A.; Ceperley, David M.; Kim, Jeongnim

2015-11-18

Solid atomic hydrogen is one of the simplest systems to undergo a metal-insulator transition. Near the transition, the electronic degrees of freedom become strongly correlated and their description provides a difficult challenge for theoretical methods. As a result, the order and density of the phase transition are still subject to debate. In this work we use diffusion quantum Monte Carlo to benchmark the transition between the paramagnetic and anti-ferromagnetic phases of ground state body centered cubic atomic hydrogen. We locate the density of the transition by computing the equation of state for these two phases and identify the phase transitionmore » order by computing the band gap near the phase transition. These benchmark results show that the phase transition is continuous and occurs at a Wigner-Seitz radius of rs = 2.27(3)a0. As a result, we compare our results to previously reported density functional theory, Hedin s GW approximation, and dynamical mean field theory results.« less

15. Reshaping the College Transition: Early College Readiness Assessments and Transition Curricula in Four States. A State Policy Report

ERIC Educational Resources Information Center

Barnett, Elisabeth A.; Fay, Maggie P.; Trimble, Madeline Joy; Pheatt, Lara

2013-01-01

Based largely on interviews with stakeholders in California, New York, Tennessee, and West Virginia, this report describes how these states have established initiatives related to early college readiness assessments and transition curricula. It then compares the development of these interventions across states and identifies factors that have…

16. Granger causality for state-space models

Barnett, Lionel; Seth, Anil K.

2015-04-01

Granger causality has long been a prominent method for inferring causal interactions between stochastic variables for a broad range of complex physical systems. However, it has been recognized that a moving average (MA) component in the data presents a serious confound to Granger causal analysis, as routinely performed via autoregressive (AR) modeling. We solve this problem by demonstrating that Granger causality may be calculated simply and efficiently from the parameters of a state-space (SS) model. Since SS models are equivalent to autoregressive moving average models, Granger causality estimated in this fashion is not degraded by the presence of a MA component. This is of particular significance when the data has been filtered, downsampled, observed with noise, or is a subprocess of a higher dimensional process, since all of these operations—commonplace in application domains as diverse as climate science, econometrics, and the neurosciences—induce a MA component. We show how Granger causality, conditional and unconditional, in both time and frequency domains, may be calculated directly from SS model parameters via solution of a discrete algebraic Riccati equation. Numerical simulations demonstrate that Granger causality estimators thus derived have greater statistical power and smaller bias than AR estimators. We also discuss how the SS approach facilitates relaxation of the assumptions of linearity, stationarity, and homoscedasticity underlying current AR methods, thus opening up potentially significant new areas of research in Granger causal analysis.

17. Topological properties of flat electroencephalography's state space

Ken, Tan Lit; Ahmad, Tahir bin; Mohd, Mohd Sham bin; Ngien, Su Kong; Suwa, Tohru; Meng, Ong Sie

2016-02-01

Neuroinverse problem are often associated with complex neuronal activity. It involves locating problematic cell which is highly challenging. While epileptic foci localization is possible with the aid of EEG signals, it relies greatly on the ability to extract hidden information or pattern within EEG signals. Flat EEG being an enhancement of EEG is a way of viewing electroencephalograph on the real plane. In the perspective of dynamical systems, Flat EEG is equivalent to epileptic seizure hence, making it a great platform to study epileptic seizure. Throughout the years, various mathematical tools have been applied on Flat EEG to extract hidden information that is hardly noticeable by traditional visual inspection. While these tools have given worthy results, the journey towards understanding seizure process completely is yet to be succeeded. Since the underlying structure of Flat EEG is dynamic and is deemed to contain wealthy information regarding brainstorm, it would certainly be appealing to explore in depth its structures. To better understand the complex seizure process, this paper studies the event of epileptic seizure via Flat EEG in a more general framework by means of topology, particularly, on the state space where the event of Flat EEG lies.

18. Analysis of slow transitions between nonequilibrium steady states

Mandal, Dibyendu; Jarzynski, Christopher

2016-06-01

Transitions between nonequilibrium steady states obey a generalized Clausius inequality, which becomes an equality in the quasistatic limit. For slow but finite transitions, we show that the behavior of the system is described by a response matrix whose elements are given by a far-from-equilibrium Green–Kubo formula, involving the decay of correlations evaluated in the nonequilibrium steady state. This result leads to a fluctuation-dissipation relation between the mean and variance of the nonadiabatic entropy production, Δ {{s}\\text{na}} . Furthermore, our results extend—to nonequilibrium steady states—the thermodynamic metric structure introduced by Sivak and Crooks for analyzing minimal-dissipation protocols for transitions between equilibrium states.

19. OptZyme: Computational Enzyme Redesign Using Transition State Analogues

PubMed Central

Grisewood, Matthew J.; Gifford, Nathanael P.; Pantazes, Robert J.; Li, Ye; Cirino, Patrick C.; Janik, Michael J.; Maranas, Costas D.

2013-01-01

OptZyme is a new computational procedure for designing improved enzymatic activity (i.e., kcat or kcat/KM) with a novel substrate. The key concept is to use transition state analogue compounds, which are known for many reactions, as proxies for the typically unknown transition state structures. Mutations that minimize the interaction energy of the enzyme with its transition state analogue, rather than with its substrate, are identified that lower the transition state formation energy barrier. Using Escherichia coli β-glucuronidase as a benchmark system, we confirm that KM correlates (R2 = 0.960) with the computed interaction energy between the enzyme and the para-nitrophenyl- β, D-glucuronide substrate, kcat/KM correlates (R2 = 0.864) with the interaction energy of the transition state analogue, 1,5-glucarolactone, and kcat correlates (R2 = 0.854) with a weighted combination of interaction energies with the substrate and transition state analogue. OptZyme is subsequently used to identify mutants with improved KM, kcat, and kcat/KM for a new substrate, para-nitrophenyl- β, D-galactoside. Differences between the three libraries reveal structural differences that underpin improving KM, kcat, or kcat/KM. Mutants predicted to enhance the activity for para-nitrophenyl- β, D-galactoside directly or indirectly create hydrogen bonds with the altered sugar ring conformation or its substituents, namely H162S, L361G, W549R, and N550S. PMID:24116038

20. Global Infrared Observations of Roughness Induced Transition on the Space Shuttle Orbiter

NASA Technical Reports Server (NTRS)

Horvath, Thomas J.; Zalameda, Joseph N.; Wood, William A.; Berry, Scott A.; Schwartz, Richard J.; Dantowitz, Ronald F.; Spisz, Thomas S.; Taylor, Jeff C.

2012-01-01

High resolution infrared observations made from a mobile ground based optical system captured the laminar-to-turbulent boundary layer transition process as it occurred during Space Shuttle Endeavour's return to earth following its final mission in 2011. The STS-134 imagery was part of a larger effort to demonstrate an emerging and reliable non-intrusive global thermal measurement capability and to complement a series of boundary layer transition flight experiments that were flown on the Shuttle. The STS-134 observations are believed to be the first time that the development and movement of a hypersonic boundary layer transition front has been witnessed in flight over the entire vehicle surface and in particular, at unprecedented spatial resolution. Additionally, benchmark surface temperature maps of the Orbiter lower surface collected over multiple flights and spanning a Mach range of 18 to 6 are now available and represent an opportunity for collaborative comparison with computational techniques focused on hypersonic transition and turbulence modeling. The synergy of the global temperature maps with the companion in-situ thermocouple measurements serve as an example of the effective leveraging of resources to achieve a common goal of advancing our understanding of the complex nature of high Mach number transition. It is shown that quantitative imaging can open the door to a multitude of national and international opportunities for partnership associated with flight-testing and subsequent validation of numerical simulation techniques. The quantitative imaging applications highlighted in this paper offer unique and complementary flight measurement alternatives and suggest collaborative instrumentation opportunities to advance the state of the art in transition prediction and maximize the return on investment in terms of developmental flight tests for future vehicle designs.

1. Space science in the United States

NASA Technical Reports Server (NTRS)

Alexander, Joseph K.; Mcdonald, Frank B.

1988-01-01

Despite the hiatus in spacecraft launches after the Space Shuttle Challenger accident in 1986, the U.S. space program continues to generate research data on the basis of the productive operation of 18 scientific spacecraft. Attention is presently given to NASA's planned missions for the 1990s in such fields as astronomy and astrophysics (the Hubble Space Telescope, the Extreme UV Explorer), solar system exploration (the Magellan Venus orbiter, the Galileo Jupiter orbiter), space physics (the Tethered Satellite System, the Combined Release and Radiation Effects Satellite), earth science (the Upper Atmospheric Research Satellite), and microgravity sciences (the International Microgravity Observatory).

2. Columbus State University Global Observation and Outreach for the 2012 Transit of Venus

Perry, Matthew; McCarty, C.; Bartow, M.; Hood, J. C.; Lodder, K.; Johnson, M.; Cruzen, S. T.; Williams, R. N.

2013-01-01

Faculty, staff and students from Columbus State University’s (CSU’s) Coca-Cola Space Science Center presented a webcast of the 2012 Transit of Venus from three continents to a global audience of 1.4 million unique viewers. Team members imaged the transit with telescopes using white-light, hydrogen-alpha, and calcium filters, from Alice Springs, Australia; the Gobi Desert, Mongolia; Bryce Canyon, UT; and Columbus, GA. Images were webcast live during the transit in partnership with NASA’s Sun-Earth Day program, and Science Center staff members were featured on NASA TV. Local members of the public were brought in for a series of outreach initiatives, in both Georgia and Australia, before and during the transit. The data recorded from the various locations have been archived for use in demonstrating principles such as the historical measurement of the astronomical unit.

3. Destination state screening of active spaces in spin dynamics simulations

Krzystyniak, M.; Edwards, Luke J.; Kuprov, Ilya

2011-06-01

We propose a novel avenue for state space reduction in time domain Liouville space spin dynamics simulations, using detectability as a selection criterion - only those states that evolve into or affect other detectable states are kept in the simulation. This basis reduction procedure (referred to as destination state screening) is formally exact and can be applied on top of the existing state space restriction techniques. As demonstrated below, in many cases this results in further reduction of matrix dimension, leading to considerable acceleration of many spin dynamics simulation types. Destination state screening is implemented in the latest version of the Spinach library (http://spindynamics.org).

4. Steady-state plasma transition in the Venus ionosheath

NASA Technical Reports Server (NTRS)

Perez-De-tejada, H.; Intriligator, D. S.; Strangeway, R. J.

1991-01-01

The results of an extended analysis of the plasma and electric field data of the Pioneer Venus Orbiter (PVO) are presented. The persistent presence of a plasma transition embedded in the flanks of the Venus ionosheath between the bow shock and the ionopause is reported. This transition is identified by the repeated presence of characteristic bursts in the 30 kHz channel of the electric field detector of the PVO. The observed electric field signals coincide with the onset of different plasma conditions in the inner ionosheath where more rarified plasma fluxes are measured. The repeated identification of this intermediate ionosheath transition in the PVO data indicates that it is present as a steady state feature of the Venus plasma environment. The distribution of PVO orbits in which the transition is observed suggests that it is more favorably detected in the vicinity of and downstream from the terminator.

5. Transition paths of Met-enkephalin from Markov state modeling of a molecular dynamics trajectory.

PubMed

Banerjee, Rahul; Cukier, Robert I

2014-03-20

Conformational states and their interconversion pathways of the zwitterionic form of the pentapeptide Met-enkephalin (MetEnk) are identified. An explicit solvent molecular dynamics (MD) trajectory is used to construct a Markov state model (MSM) based on dihedral space clustering of the trajectory, and transition path theory (TPT) is applied to identify pathways between open and closed conformers. In the MD trajectory, only four of the eight backbone dihedrals exhibit bistable behavior. Defining a conformer as the string XXXX with X = "+" or "-" denoting, respectively, positive or negative values of a given dihedral angle and obtaining the populations of these conformers shows that only four conformers are highly populated, implying a strong correlation among these dihedrals. Clustering in dihedral space to construct the MSM finds the same four bistable dihedral angles. These state populations are very similar to those found directly from the MD trajectory. TPT is used to obtain pathways, parametrized by committor values, in dihedral state space that are followed in transitioning from closed to open states. Pathway costs are estimated by introducing a kinetics-based procedure that orders pathways from least (shortest) to greater cost paths. The least costly pathways in dihedral space are found to only involve the same XXXX set of dihedral angles, and the conformers accessed in the closed to open transition pathways are identified. For these major pathways, a correlation between reaction path progress (committors) and the end-to-end distance is identified. A dihedral space principal component analysis of the MD trajectory shows that the first three modes capture most of the overall fluctuation, and pick out the same four dihedrals having essentially all the weight in those modes. A MSM based on root-mean-square backbone clustering was also carried out, with good agreement found with dihedral clustering for the static information, but with results that differ

6. Catching Up on State Transitions in Cygnus X-1

NASA Technical Reports Server (NTRS)

Boeck, Moritz; Hanke, Manfred; Wilms, Joern; Pirner, Stefan; Grinberg, Victoria; Markoff, Sera; Pottschmidt, Katja; Nowak, Michael A.; Pooley, Guy

2008-01-01

In 2005 February we observed Cygnus X-1 over a period of 10 days quasi-continuously with the Rossi X-ray Timing Explorer and the Ryle telescope. We present the results of the spectral and timing analysis on a timescale of 90 min and show that the behavior of Cyg X-1 is similar to that found during our years long monitoring campaign. As a highlight we present evidence for a full transition from the hard to the soft state that happened during less than three hours. The observation provided a more complete picture of a state transition than before, especially concerning the evolution of the time lags, due to unique transition coverage and analysis with high time resolution.

7. Leading the Transition from Classrooms to Learning Spaces

ERIC Educational Resources Information Center

Oblinger, Diana

2005-01-01

A number of factors are prompting higher education's interest in learning spaces: the need to renovate existing space or accommodate additional students, pedagogical advances, a better understanding of learners, and, in some cases, curricular reform. Moving from classrooms to learning spaces involves a conceptual shift as well as a commitment to…

8. How to upload a physical quantum state into correlation space

SciTech Connect

Morimae, Tomoyuki

2011-04-15

9. The State-of-the-art in Space Robotics

da Fonseca, Ijar M.; Pontuschka, Maurício N.

2015-10-01

This paper deals with the space robotics and associate space applications. An overview of the space era and the robotic space probes is presented to contextualize the space robotics in the space exploration scenario. Concepts, classification and key-questions associated with robotics for space applications are presented and discussed. Safety-critical aspects of the space robotics are discussed as well the human limitation to operate in the hostile space environment and long time duration missions. The paper also focuses on the state-of-the- art of robotics for the International Space Station EVA operations, for the planetary exploration such as the ongoing Mars exploration, Hayabusa rendezvous and landing in asteroids and the robotic probe Rosetta landed in a comet recently. The paper also includes a discussion of the applications of new concepts like the robonauts, the space tugs applications and robots for future planetary exploration.

10. Metal-insulator transition near a superconducting state

Kaveh, M.; Mott, N. F.

1992-03-01

We show that when the metal-insulation transition occurs near a superconducting state it results in a different critical behavior from that of amorphous metals or uncompensated doped semiconductors. This difference results from the enhancement of the effective electron-electron interaction caused by fluctuations to the superconducting state. This explains the recent experiments of Micklitz and co-workers on amorphous superconducting mixtures Ga-Ar and Bi-Kr.

11. Current status of the state-and-transition framework

Technology Transfer Automated Retrieval System (TEKTRAN)

State-and-transition models (STM) have been widely adopted as a tool for explaining plant community dynamics and response to disturbance within rangeland ecosystems. Our understanding of the STM concepts has advanced substantially since they were introduced by Westoby et al. (1989) and modified by ...

12. Absorbing-state phase transitions with extremal dynamics

Dickman, Ronald; Garcia, Guilherme J. M.

2005-06-01

Extremal dynamics represents a path to self-organized criticality in which the order parameter is tuned to a value of zero. The order parameter is associated with a phase transition to an absorbing state. Given a process that exhibits a phase transition to an absorbing state, we define an “extremal absorbing” process, providing the link to the associated extremal (nonabsorbing) process. Stationary properties of the latter correspond to those at the absorbing-state phase transition in the former. Studying the absorbing version of an extremal dynamics model allows to determine certain critical exponents that are not otherwise accessible. In the case of the Bak-Sneppen (BS) model, the absorbing version is closely related to the “ f -avalanche” introduced by Paczuski, Maslov, and Bak [Phys. Rev. E 53, 414 (1996)], or, in spreading simulations to the “BS branching process” also studied by these authors. The corresponding nonextremal process belongs to the directed percolation universality class. We revisit the absorbing BS model, obtaining refined estimates for the threshold and critical exponents in one dimension. We also study an extremal version of the usual contact process, using mean-field theory and simulation. The extremal condition slows the spread of activity and modifies the critical behavior radically, defining an “extremal directed percolation” universality class of absorbing-state phase transitions. Asymmetric updating is a relevant perturbation for this class, even though it is irrelevant for the corresponding nonextremal class.

13. 40 CFR 70.4 - State program submittals and transition.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 15 2010-07-01 2010-07-01 false State program submittals and transition. 70.4 Section 70.4 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR..., including authority to carry out each of the following: (i) Issue permits and assure compliance with...

14. Storing excitons in transition-metal dichalcogenides using dark states

Gunlycke, Daniel; Tseng, Frank; Simsek, Ergun

Monolayer transition-metal dichalcogenides exhibit strongly bound excitons confined to two dimensions. One challenge in exploiting these excitons is that they have a finite life time and collapse through electron-hole recombination. We propose that the exciton life time could be extended by transitioning the exciton population into dark states. The symmetry of these dark states require the electron and hole to be spatially separated, which not only causes these states to be optically inactive but also inhibits electron-hole recombination. Based on an atomistic model we call the Triangular Lattice Exciton (3ALE) model, we derive transition matrix elements and approximate selection rules showing that excitons could be transitioned into and out of dark states using a pulsed infrared laser. For illustration, we also present exciton population scenarios based on different recombination decay constants. Longer exciton lifetimes could make these materials candidates for applications in energy management and quantum information processing. This work was supported by the Office of Naval Research, directly and through the Naval Research Laboratory.

15. State Accountability in the Transition to Common Core. Updated

ERIC Educational Resources Information Center

Sears, Victoria

2014-01-01

The Common Core is at a critical juncture. While many surveys show that support for the standards themselves remains strong, implementation has not been without major challenges. "State Accountability in the Transition to Common Core," a new policy brief from the Thomas B. Fordham Institute, provides cautionary advice about what key…

16. Practical guidance for developing state-and-transition models

Technology Transfer Automated Retrieval System (TEKTRAN)

State-and-transition models (STMs) are synthetic descriptions of the dynamics of vegetation and surface soils occurring within specific ecological sites. STMs consist of a diagram and narratives that describe the dynamics and its causes. STMs are developed using a broad array of evidence including h...

17. Spatially-explicit representation of state-and-transition models

Technology Transfer Automated Retrieval System (TEKTRAN)

The broad-scale assessment of natural resource conditions (e.g., rangeland health, restoration needs) requires knowledge of their spatial distribution. We argue that creating a database that links state-and-transition models (STMs) to spatial units is a valuable management tool for structuring groun...

18. Cosmic evolution from phase transition of three-dimensional flat space.

PubMed

Bagchi, Arjun; Detournay, Stephane; Grumiller, Daniel; Simón, Joan

2013-11-01

Flat space cosmology spacetimes are exact time-dependent solutions of three-dimensional gravity theories, such as Einstein gravity or topologically massive gravity. We exhibit a novel kind of phase transition between these cosmological spacetimes and the Minkowski vacuum. At sufficiently high temperature, (rotating) hot flat space tunnels into a universe described by flat space cosmology. PMID:24237503

19. Specificity in Transition State Binding: The Pauling Model Revisited

PubMed Central

Amyes, Tina L.; Richard, John P.

2013-01-01

Linus Pauling proposed that the large rate accelerations for enzymes are due to the high specificity of the protein catalyst for binding the reaction transition state. The observation that stable analogs of the transition states for enzymatic reactions often act as tight-binding binding inhibitors provided early support for this simple and elegant proposal. We review experimental results which support the proposal that Pauling’s model provides a satisfactory explanation for the rate accelerations for many heterolytic enzymatic reactions through high energy reaction intermediates, such as proton transfer and decarboxylation. Specificity in transition state binding is obtained when the total intrinsic binding energy of the substrate is significantly larger than the binding energy observed at the Michaelis complex. The results of recent studies to characterize the specificity in binding of the enolate oxygen at the transition state for the 1,3-isomerization reaction catalyzed by ketosteroid isomerase are reviewed. Interactions between pig heart succinyl-CoA:3-oxoacid coenzyme A transferase (SCOT) and the nonreacting portions of CoA are responsible for a rate increase of 3 × 1012-fold, which is close to the estimated total 5 × 1013-fold enzymatic rate acceleration. Studies that partition the interactions between SCOT and CoA into their contributing parts are reviewed. Interactions of the protein with the substrate phosphodianion group provide a ca. 12 kcal/mol stabilization of the transition state for the reactions catalyzed by triosephosphate isomerase, orotidine 5′-monophosphate decarboxylase and α-glycerol phosphate dehydrogenase. The interactions of these enzymes with the substrate piece phosphite dianion provide a 6 – 8 kcal/mol stabilization of the transition state for reaction of the appropriate truncated substrate. Enzyme activation by phosphite dianion reflects the higher dianion affinity for binding to the enzyme-transition state complex compared

20. Theoretical analysis of droplet transition from Cassie to Wenzel state

Liu, Tian-Qing; Yan-Jie, Li; Xiang-Qin, Li; Wei, Sun

2015-11-01

Whether droplets transit from the Cassie to the Wenzel state (C-W) on a textured surface is the touchstone that the superhydrophobicity of the surface is still maintained. However, the C-W transition mechanism, especially the spontaneous transition of small droplets, is still not very clear to date. The interface free energy gradient of a small droplet is firstly proposed and derived as the driving force for its C-W evolution in this study based on the energy and gradient analysis. Then the physical and mathematical model of the C-W transition is found after the C-W driving force or transition pressure, the resistance, and the parameters of the meniscus beneath the droplet are formulated. The results show that the micro/nano structural parameters significantly affect the C-W driving force and resistance. The smaller the pillar diameter and pitch, the minor the C-W transition pressure, and the larger the resistance. Consequently, the C-W transition is difficult to be completed for the droplets on nano-textured surfaces. Meanwhile if the posts are too short, the front of the curved liquid-air interface below the droplet will touch the structural substrate easily even though the three phase contact line (TPCL) has not depinned. When the posts are high enough, the TPCL beneath the drop must move firstly before the meniscus can reach the substrate. As a result, the droplet on a textured surface with short pillars is easy to complete its C-W evolution. On the other hand, the smaller the droplet, the easier the C-W shift, since the transition pressure becomes larger, which well explains why an evaporating drop will collapse spontaneously from composite to Wenzel state. Besides, both intrinsic and advancing contact angles affect the C-W transition as well. The greater the two angles, the harder the C-W transition. In the end, the C-W transition parameters and the critical conditions measured in literatures are calculated and compared, and the calculations accord well with

1. State-space size considerations for disease-progression models.

PubMed

Regnier, Eva D; Shechter, Steven M

2013-09-30

Markov models of disease progression are widely used to model transitions in patients' health state over time. Usually, patients' health status may be classified according to a set of ordered health states. Modelers lump together similar health states into a finite and usually small, number of health states that form the basis of a Markov chain disease-progression model. This increases the number of observations used to estimate each parameter in the transition probability matrix. However, lumping together observably distinct health states also obscures distinctions among them and may reduce the predictive power of the model. Moreover, as we demonstrate, precision in estimating the model parameters does not necessarily improve as the number of states in the model declines. This paper explores the tradeoff between lumping error introduced by grouping distinct health states and sampling error that arises when there are insufficient patient data to precisely estimate the transition probability matrix. PMID:23609629

2. Transition state-finding strategies for use with the growing string method

Goodrow, Anthony; Bell, Alexis T.; Head-Gordon, Martin

2009-06-01

Efficient identification of transition states is important for understanding reaction mechanisms. Most transition state search algorithms require long computational times and a good estimate of the transition state structure in order to converge, particularly for complex reaction systems. The growing string method (GSM) [B. Peters et al., J. Chem. Phys. 120, 7877 (2004)] does not require an initial guess of the transition state; however, the calculation is still computationally intensive due to repeated calls to the quantum mechanics code. Recent modifications to the GSM [A. Goodrow et al., J. Chem. Phys. 129, 174109 (2008)] have reduced the total computational time for converging to a transition state by a factor of 2 to 3. In this work, three transition state-finding strategies have been developed to complement the speedup of the modified-GSM: (1) a hybrid strategy, (2) an energy-weighted strategy, and (3) a substring strategy. The hybrid strategy initiates the string calculation at a low level of theory (HF/STO-3G), which is then refined at a higher level of theory (B3LYP/6-31G∗). The energy-weighted strategy spaces points along the reaction pathway based on the energy at those points, leading to a higher density of points where the energy is highest and finer resolution of the transition state. The substring strategy is similar to the hybrid strategy, but only a portion of the low-level string is refined using a higher level of theory. These three strategies have been used with the modified-GSM and are compared in three reactions: alanine dipeptide isomerization, H-abstraction in methanol oxidation on VOx/SiO2 catalysts, and C-H bond activation in the oxidative carbonylation of toluene to p-toluic acid on Rh(CO)2(TFA)3 catalysts. In each of these examples, the substring strategy was proved most effective by obtaining a better estimate of the transition state structure and reducing the total computational time by a factor of 2 to 3 compared to the modified

3. The morphological state space revisited: what do phylogenetic patterns in homoplasy tell us about the number of possible character states?

PubMed

Hoyal Cuthill, Jennifer F

2015-12-01

Biological variety and major evolutionary transitions suggest that the space of possible morphologies may have varied among lineages and through time. However, most models of phylogenetic character evolution assume that the potential state space is finite. Here, I explore what the morphological state space might be like, by analysing trends in homoplasy (repeated derivation of the same character state). Analyses of ten published character matrices are compared against computer simulations with different state space models: infinite states, finite states, ordered states and an 'inertial' model, simulating phylogenetic constraints. Of these, only the infinite states model results in evolution without homoplasy, a prediction which is not generally met by real phylogenies. Many authors have interpreted the ubiquity of homoplasy as evidence that the number of evolutionary alternatives is finite. However, homoplasy is also predicted by phylogenetic constraints on the morphological distance that can be traversed between ancestor and descendent. Phylogenetic rarefaction (sub-sampling) shows that finite and inertial state spaces do produce contrasting trends in the distribution of homoplasy. Two clades show trends characteristic of phylogenetic inertia, with decreasing homoplasy (increasing consistency index) as we sub-sample more distantly related taxa. One clade shows increasing homoplasy, suggesting exhaustion of finite states. Different clades may, therefore, show different patterns of character evolution. However, when parsimony uninformative characters are excluded (which may occur without documentation in cladistic studies), it may no longer be possible to distinguish inertial and finite state spaces. Interestingly, inertial models predict that homoplasy should be clustered among comparatively close relatives (parallel evolution), whereas finite state models do not. If morphological evolution is often inertial in nature, then homoplasy (false homology) may primarily

4. Using Brain Imaging to Track Problem Solving in a Complex State Space

PubMed Central

Anderson, John R.; Fincham, Jon M.; Schneider, Darryl W.; Yang, Jian

2011-01-01

This paper describes how behavioral and imaging data can be combined with a Hidden Markov Model (HMM) to track participants’ trajectories through a complex state space. Participants completed a problem-solving variant of a memory game that involved 625 distinct states, 24 operators, and an astronomical number of paths through the state space. Three sources of information were used for classification purposes. First, an Imperfect Memory Model was used to estimate transition probabilities for the HMM. Second, behavioral data provided information about the timing of different events. Third, multivoxel pattern analysis of the imaging data was used to identify features of the operators. By combining the three sources of information, an HMM algorithm was able to efficiently identify the most probable path that participants took through the state space, achieving over 80% accuracy. These results support the approach as a general methodology for tracking mental states that occur during individual problem-solving episodes. PMID:22209783

5. State transitions of actin cortices in vitro and in vivo

Tan, Tzer Han; Keren, Kinneret; Mackintosh, Fred; Schmidt, Christoph; Fakhri, Nikta

Most animal cells are enveloped by a thin layer of actin cortex which governs the cell mechanics. A functional cortex must be rigid to provide mechanical support while being flexible to allow for rapid restructuring events such as cell division. To satisfy these requirements, the actin cortex is highly dynamic with fast actin turnover and myosin-driven contractility. The regulatory mechanism responsible for the transition between a mechanically stable state and a restructuring state is not well understood. Here, we develop a technique to map the dynamics of reconstituted actin cortices in emulsion droplets using IR fluorescent single-walled carbon nanotubes (SWNTs). By increasing crosslinker concentration, we find that a homogeneous cortex transitions to an intermediate state with broken rotational symmetry and a globally contractile state which further breaks translational symmetry. We apply this new dynamic mapping technique to cortices of live starfish oocytes in various developmental stages. To identify the regulatory mechanism for steady state transitions, we subject the oocytes to actin and myosin disrupting drugs.

6. Raman transitions between hyperfine clock states in a magnetic trap

Naber, J. B.; Torralbo-Campo, L.; Hubert, T.; Spreeuw, R. J. C.

2016-07-01

We present our experimental investigation of an optical Raman transition between the magnetic clock states of 87Rb in an atom chip magnetic trap. The transfer of atomic population is induced by a pair of diode lasers which couple the two clock states off-resonantly to an intermediate state manifold. This transition is subject to destructive interference of two excitation paths, which leads to a reduction of the effective two-photon Rabi frequency. Furthermore, we find that the transition frequency is highly sensitive to the intensity ratio of the diode lasers. Our results are well described in terms of light shifts in the multilevel structure of 87Rb. The differential light shifts vanish at an optimal intensity ratio, which we observe as a narrowing of the transition linewidth. We also observe the temporal dynamics of the population transfer and find good agreement with a model based on the system's master equation and a Gaussian laser beam profile. Finally, we identify several sources of decoherence in our system, and discuss possible improvements.

7. State transitions in geomorphic responses to environmental change

Phillips, Jonathan D.

2014-01-01

The fundamental geomorphic responses to environmental change are qualitative changes in system states. This study is concerned with the complexity of state transition models (STM), and synchronization. The latter includes literal and inferential synchronization, the extent to which observations or relationships at one time period can be applied to others. Complexity concerns the extent to which STM structure may tend to amplify effects of change. Three metrics-spectral radius, Laplacian spectral radius, and algebraic connectivity-were applied to several generic geomorphic STMs, and to three real-world examples: the San Antonio River delta, soil transitions in a coastal plain agricultural landscape, and high-latitude thermokarst systems. While the Laplacian spectral radius was of limited use, spectral radius and algebraic complexity provide significant, independent information. The former is more sensitive to the intensity of cycles within the transition graph structure, and to the overall complexity of the STM. Spectral radius is an effective general index of graph complexity, and especially the likelihood of amplification and intensification of changes in environmental boundary conditions, or of the propagation of local disturbances within the system. The spectral radius analyses here illustrate that more information does not necessarily decrease uncertainty, as increased information often results in the expansion of state transition networks from simpler linear sequential and cyclic to more complex structures. Algebraic connectivity applied to landscape-scale STMs provides a measure of the likelihood of complex response, with synchronization inversely related to complex response.

8. Isotopic mapping of transition-state structural features associated with enzymic catalysis of methyl transfer

SciTech Connect

Rodgers, J.; Femec, D.A.; Schowen, R.L.

1982-06-16

For comparison of the molecular structures of nonenzymic and enzymic sulfur-to-oxygen transmethylation transition states by the use of kinetic isotope effects, a series of isotopic maps is produced. In these, contours of constant isotope effect are displayed vs. the Pauling bond orders B/sub CS/ and B/sub CO/, for the carbon-sulfur and carbon-oxygen bonds, respectively, taken as independent variables to describe the transition states. Maps are calculated by the BEBOVIB approach for k(CH/sub 3/)/k(CD/sub 3/), k(/sup 12/CH/sub 3/)/k(/sup 13/CH/sub 3/), k(/sup 16/O)/k(/sup 18/O), and k(/sup 32/S)/k(/sup 34/S), with two models for the reaction coordinate, two force-field assumptions, and four temperatures. Nonenzymic isotope effects and isotope effects for catechol-O-methyltransferase action are then used to construct figures on the CH/sub 3//CD/sub 3/ and /sup 12/CH/sub 3///sup 13/CH/sub 3/ maps which correspond to allowed spaces of transition-states structures. Superposition of the figures yields the spaces of transition-state structures simultaneously consistent with both hydrogen and carbon isotope effects. It is concluded that the enzyme compresses the S/sub N/2 transition state and that the compression of the C-O and C-S bonds may well be of the order of 0.15 A per bond and could conceivably be more than twice as large.

9. Priorities in national space strategies and governance of the member states of the European Space Agency

Adriaensen, Maarten; Giannopapa, Christina; Sagath, Daniel; Papastefanou, Anastasia

2015-12-01

The European Space Agency (ESA) has twenty Member States with a variety of strategic priorities and governance structures regarding their space activities. A number of countries engage in space activities exclusively though ESA, while others have also their own national space programme. Some consider ESA as their prime space agency and others have additionally their own national agency with respective programmes. The main objective of this paper is to provide an up-to date overview and a holistic assessment of strategic priorities and the national space governance structures in 20 ESA Member States. This analysis and assessment has been conducted by analysing the Member States public documents, information provided at ESA workshop on this topic and though unstructured interviews. The paper is structured to include two main elements: priorities and trends in national space strategies and space governance in ESA Member States. The first part of this paper focuses on the content and analysis of the national space strategies and indicates the main priorities and trends in Member States. The priorities are categorised with regards to technology domains, the role of space in the areas of sustainability and the motivators that boost engagement in space. These vary from one Member State to another and include with different levels of engagement in technology domains amongst others: science and exploration, navigation, Earth observation, human space flight, launchers, telecommunications, and integrated applications. Member States allocate a different role of space as enabling tool adding to the advancement of sustainability areas including: security, resources, environment and climate change, transport and communication, energy, and knowledge and education. The motivators motivating reasoning which enhances or hinders space engagement also differs. The motivators identified are industrial competitiveness, job creation, technology development and transfer, social benefits

10. State Directors of Special Education Transition Programs: State Definitions, and Real and Ideal Teacher Competencies.

ERIC Educational Resources Information Center

Beard, John; And Others

This study surveys states' mandates, definitions, and components of transition programs that assist disabled students in successfully moving to the community environment. Among the 60 state-level directors of special education surveyed, 34 state and 4 territorial directors responded to the questionnaire comprised of 8 questions, and nominated 230…

11. Driving transitions between quantized flow states in an atomtronic circuit

Eckel, Stephen

Superfluidity, or flow without resistance, is a macroscopic quantum effect that is present in a multitude of systems, including liquid helium, superconductors, and ultra-cold atomic gases. In superconductors, flow without resistance has led to the development of a number of useful devices. Here, I will present our work studying a superfluid analog to the rf-superconducting interference device (SQUID). Our atomtronic analog is formed in a ring-shaped Bose-Einstein condensate (BEC) of sodium atoms. Ring condensates are unique in that they can support persistent currents that are quantized. We drive transitions between persistent current states using a rotating perturbation, or weak link. Here, rotation acts as the analog to magnetic field in superconductors. In our system, a current (as viewed in the frame co-rotating with the perturbation) develops to oppose any change in rotation. If the rotation rate is sufficiently large, the critical current of the superfluid is exceeded in the weak link region, causing a transition to a state of larger persistent current. The strength of the perturbation tunes the critical rotation rates. Like the rf-SQUID, the transitions show hysteresis - rotation rates that increase the quantized current are different from those that decrease the current. The size of the hysteresis loop allows us to explore the microscopic mechanisms responsible for the transitions. In a more recent experiment, we have observed the time it takes for the first persistent current state to decay in the presence of a stationary perturbation. The measured timescales depend strongly on temperature, but in a way that suggests that other physical effects, like quantum coherence, could also play a role in the transitions between current states.

12. Adaptive importance sampling of random walks on continuous state spaces

SciTech Connect

Baggerly, K.; Cox, D.; Picard, R.

1998-11-01

The authors consider adaptive importance sampling for a random walk with scoring in a general state space. Conditions under which exponential convergence occurs to the zero-variance solution are reviewed. These results generalize previous work for finite, discrete state spaces in Kollman (1993) and in Kollman, Baggerly, Cox, and Picard (1996). This paper is intended for nonstatisticians and includes considerable explanatory material.

13. PULSAR STATE SWITCHING FROM MARKOV TRANSITIONS AND STOCHASTIC RESONANCE

SciTech Connect

Cordes, J. M.

2013-09-20

Markov processes are shown to be consistent with metastable states seen in pulsar phenomena, including intensity nulling, pulse-shape mode changes, subpulse drift rates, spin-down rates, and X-ray emission, based on the typically broad and monotonic distributions of state lifetimes. Markovianity implies a nonlinear magnetospheric system in which state changes occur stochastically, corresponding to transitions between local minima in an effective potential. State durations (though not transition times) are thus largely decoupled from the characteristic timescales of various magnetospheric processes. Dyadic states are common but some objects show at least four states with some transitions forbidden. Another case is the long-term intermittent pulsar B1931+24 that has binary radio-emission and torque states with wide, but non-monotonic duration distributions. It also shows a quasi-period of 38 ± 5 days in a 13 yr time sequence, suggesting stochastic resonance in a Markov system with a forcing function that could be strictly periodic or quasi-periodic. Nonlinear phenomena are associated with time-dependent activity in the acceleration region near each magnetic polar cap. The polar-cap diode is altered by feedback from the outer magnetosphere and by return currents from the equatorial region outside the light cylinder that may also cause the neutron star to episodically charge and discharge. Orbital perturbations of a disk or current sheet provide a natural periodicity for the forcing function in the stochastic-resonance interpretation of B1931+24. Disk dynamics may introduce additional timescales in observed phenomena. Future work can test the Markov interpretation, identify which pulsar types have a propensity for state changes, and clarify the role of selection effects.

14. IRIDIUM (R): A Lockheed transition to commercial space

NASA Technical Reports Server (NTRS)

1995-01-01

At Lockheed Missiles & Space Company, the IRIDIUM commercial space program is dramatically revolutionizing spacecraft development and manufacturing processes to reduce cost while maintaining quality and reliability. This report includes the following sections: an overview of the IRIDIUM system, the Lockheed IRIDIUM project and challenges; cycle-time reduction through production reorganization; and design for manufacturing and quality.

15. Absorbing-state phase transitions on percolating lattices.

PubMed

Lee, Man Young; Vojta, Thomas

2009-04-01

We study nonequilibrium phase transitions of reaction-diffusion systems defined on randomly diluted lattices, focusing on the transition across the lattice percolation threshold. To develop a theory for this transition, we combine classical percolation theory with the properties of the supercritical nonequilibrium system on a finite-size cluster. In the case of the contact process, the interplay between geometric criticality due to percolation and dynamical fluctuations of the nonequilibrium system leads to a different universality class. The critical point is characterized by ultraslow activated dynamical scaling and accompanied by strong Griffiths singularities. To confirm the universality of this exotic scaling scenario we also study the generalized contact process with several (symmetric) absorbing states and we support our theory by extensive Monte Carlo simulations. PMID:19518178

16. Federal and state benefits for transition age youth.

PubMed

Altman, Stephanie; O'Connor, Sarah; Anapolsky, Ellyce; Sexton, Laura

2014-01-01

While all children face challenges as they become adults, children with chronic medical conditions or disabilities face unique barriers in their transition to adulthood. Children, especially those who are low income and have special needs, are eligible for a range of supports including income supports, health care coverage, vocational and educational supports. These supports are critical to sound health because they ensure access to necessary medical services, while also offsetting the social determinants that negatively affect health. Unfortunately, as children transition into adulthood, eligibility for these benefits can change abruptly or even end entirely. If medical providers have a better understanding of five transition key dates, they can positively impact their patients' health by ensuring continuous coverage through the transition to adulthood. The key dates are as follows: (1) transition services for students with an Individualized Education Program (IEP) must begin by age 16 (in some states such as Illinois, these services must be in place by age 14 1/2); (2) at age 18, eligibility for income supports may change; (3) at age 19, eligibility for Medicaid may change; (4) at graduation, eligibility for educational supports will end unless steps are taken to extend those benefits until age 22; and (5) when individuals prepare to enter the workforce, they will become eligible for vocational rehabilitation services. With an understanding of these key transition dates and how to partner with social services and advocacy organizations on behalf of their patients, medical providers can help to ensure that transition-age patients retain the holistic social services and supports they need to protect their health. PMID:24919940

17. Transitional flow in thin tubes for space station freedom radiator

NASA Technical Reports Server (NTRS)

Loney, Patrick; Ibrahim, Mounir

1995-01-01

A two dimensional finite volume method is used to predict the film coefficients in the transitional flow region (laminar or turbulent) for the radiator panel tubes. The code used to perform this analysis is CAST (Computer Aided Simulation of Turbulent Flows). The information gathered from this code is then used to augment a Sinda85 model that predicts overall performance of the radiator. A final comparison is drawn between the results generated with a Sinda85 model using the Sinda85 provided transition region heat transfer correlations and the Sinda85 model using the CAST generated data.

18. A transition in brain state during propofol-induced unconsciousness.

PubMed

Mukamel, Eran A; Pirondini, Elvira; Babadi, Behtash; Wong, Kin Foon Kevin; Pierce, Eric T; Harrell, P Grace; Walsh, John L; Salazar-Gomez, Andres F; Cash, Sydney S; Eskandar, Emad N; Weiner, Veronica S; Brown, Emery N; Purdon, Patrick L

2014-01-15

Rhythmic oscillations shape cortical dynamics during active behavior, sleep, and general anesthesia. Cross-frequency phase-amplitude coupling is a prominent feature of cortical oscillations, but its role in organizing conscious and unconscious brain states is poorly understood. Using high-density EEG and intracranial electrocorticography during gradual induction of propofol general anesthesia in humans, we discovered a rapid drug-induced transition between distinct states with opposite phase-amplitude coupling and different cortical source distributions. One state occurs during unconsciousness and may be similar to sleep slow oscillations. A second state occurs at the loss or recovery of consciousness and resembles an enhanced slow cortical potential. These results provide objective electrophysiological landmarks of distinct unconscious brain states, and could be used to help improve EEG-based monitoring for general anesthesia. PMID:24431442

19. Phenomena of solid state grain boundaries phase transition in technology

Minaev, Y. A.

2015-03-01

The results of study the phenomenon, discovered by author (1971), of the phase transition of grain boundary by the formation of two-dimensional liquid or quasi-liquid films have been done. The described phenomena of the first order phase transition (two-dimensional melting) at temperatures 0.6 - 0.9 TS0 (of the solid state melting point) is a fundamental property of solid crystalline materials, which has allowed to revise radically scientific representations about a solid state of substance. Using the mathematical tools of the film thermodynamics it has been obtained the generalized equation of Clausius - Clapeyron type for two-dimensional phase transition. The generalized equation has been used for calculating grain boundary phase transition temperature TSf of any metal, which value lies in the range of (0.55…0.86) TS0. Based on these works conclusions the develop strategies for effective forming of coatings (by thermo-chemical processing) on surface layers of functional alloys and hard metals have been made. The short overview of the results of some graded alloys characterization has been done.

20. Phenomena of solid state grain boundaries phase transition in technology

SciTech Connect

Minaev, Y. A.

2015-03-30

The results of study the phenomenon, discovered by author (1971), of the phase transition of grain boundary by the formation of two-dimensional liquid or quasi-liquid films have been done. The described phenomena of the first order phase transition (two-dimensional melting) at temperatures 0.6 – 0.9 T{sub S0} (of the solid state melting point) is a fundamental property of solid crystalline materials, which has allowed to revise radically scientific representations about a solid state of substance. Using the mathematical tools of the film thermodynamics it has been obtained the generalized equation of Clausius - Clapeyron type for two-dimensional phase transition. The generalized equation has been used for calculating grain boundary phase transition temperature T{sub Sf} of any metal, which value lies in the range of (0.55…0.86) T{sub S0}. Based on these works conclusions the develop strategies for effective forming of coatings (by thermo-chemical processing) on surface layers of functional alloys and hard metals have been made. The short overview of the results of some graded alloys characterization has been done.

1. Absorbing State Phase Transition with Competing Quantum and Classical Fluctuations.

PubMed

Marcuzzi, Matteo; Buchhold, Michael; Diehl, Sebastian; Lesanovsky, Igor

2016-06-17

Stochastic processes with absorbing states feature examples of nonequilibrium universal phenomena. While the classical regime has been thoroughly investigated in the past, relatively little is known about the behavior of these nonequilibrium systems in the presence of quantum fluctuations. Here, we theoretically address such a scenario in an open quantum spin model which, in its classical limit, undergoes a directed percolation phase transition. By mapping the problem to a nonequilibrium field theory, we show that the introduction of quantum fluctuations stemming from coherent, rather than statistical, spin flips alters the nature of the transition such that it becomes first order. In the intermediate regime, where classical and quantum dynamics compete on equal terms, we highlight the presence of a bicritical point with universal features different from the directed percolation class in a low dimension. We finally propose how this physics could be explored within gases of interacting atoms excited to Rydberg states. PMID:27367395

2. Absorbing State Phase Transition with Competing Quantum and Classical Fluctuations

Marcuzzi, Matteo; Buchhold, Michael; Diehl, Sebastian; Lesanovsky, Igor

2016-06-01

Stochastic processes with absorbing states feature examples of nonequilibrium universal phenomena. While the classical regime has been thoroughly investigated in the past, relatively little is known about the behavior of these nonequilibrium systems in the presence of quantum fluctuations. Here, we theoretically address such a scenario in an open quantum spin model which, in its classical limit, undergoes a directed percolation phase transition. By mapping the problem to a nonequilibrium field theory, we show that the introduction of quantum fluctuations stemming from coherent, rather than statistical, spin flips alters the nature of the transition such that it becomes first order. In the intermediate regime, where classical and quantum dynamics compete on equal terms, we highlight the presence of a bicritical point with universal features different from the directed percolation class in a low dimension. We finally propose how this physics could be explored within gases of interacting atoms excited to Rydberg states.

3. Physiologic Measures of Animal Stress during Transitional States of Consciousness.

PubMed

Meyer, Robert E

2015-01-01

Determination of the humaneness of methods used to produce unconsciousness in animals, whether for anesthesia, euthanasia, humane slaughter, or depopulation, relies on our ability to assess stress, pain, and consciousness within the contexts of method and application. Determining the subjective experience of animals during transitional states of consciousness, however, can be quite difficult; further, loss of consciousness with different agents or methods may occur at substantially different rates. Stress and distress may manifest behaviorally (e.g., overt escape behaviors, approach-avoidance preferences [aversion]) or physiologically (e.g., movement, vocalization, changes in electroencephalographic activity, heart rate, sympathetic nervous system [SNS] activity, hypothalamic-pituitary axis [HPA] activity), such that a one-size-fits-all approach cannot be easily applied to evaluate methods or determine specific species applications. The purpose of this review is to discuss methods of evaluating stress in animals using physiologic methods, with emphasis on the transition between the conscious and unconscious states. PMID:26479382

4. Transition state geometry in radical hydrogen atom abstraction

Denisov, Evgenii T.; Shestakov, Alexander F.; Denisova, Taisa G.

2012-12-01

The interatomic distances in the transition states of radical hydrogen atom abstraction reactions X•+HY → XH+Y• determined by quantum chemical calculations are systematized and generalized. It is shown that depending on the reaction centre structure, these reactions can be subdivided into classes with the same X...Y interatomic distance in each class. The transition state geometries found by the methods of intersecting parabolas and intersecting Morse curves are also presented. The X...H...Y fragments are almost linear, the hydrogen atom position being determined by the reaction enthalpy. The effects of triplet repulsion, electronegativities and radii of X and Y atoms, the presence of adjoining π-bonds, and steric effects on the X...Y interatomic distances are analyzed and characterized. The bibliography includes 62 references.

5. Optimal Control of Transitions between Nonequilibrium Steady States

PubMed Central

Zulkowski, Patrick R.; Sivak, David A.; DeWeese, Michael R.

2013-01-01

Biological systems fundamentally exist out of equilibrium in order to preserve organized structures and processes. Many changing cellular conditions can be represented as transitions between nonequilibrium steady states, and organisms have an interest in optimizing such transitions. Using the Hatano-Sasa Y-value, we extend a recently developed geometrical framework for determining optimal protocols so that it can be applied to systems driven from nonequilibrium steady states. We calculate and numerically verify optimal protocols for a colloidal particle dragged through solution by a translating optical trap with two controllable parameters. We offer experimental predictions, specifically that optimal protocols are significantly less costly than naive ones. Optimal protocols similar to these may ultimately point to design principles for biological energy transduction systems and guide the design of artificial molecular machines. PMID:24386112

6. Classical codes in quantum state space

Howard, Mark

2015-12-01

We present a construction of Hermitian operators and quantum states labelled by strings from a finite field. The distance between these operators or states is then simply related (typically, proportional) to the Hamming distance between their corresponding strings. This allows a straightforward application of classical coding theory to find arrangements of operators or states with a given distance distribution. Using the simplex or extended Reed-Solomon code in our construction recovers the discrete Wigner function, which has important applications in quantum information theory.

7. Fish reintroductions reveal smooth transitions between lake community states.

PubMed

Mittelbach, Gary G; Garcia, Erica A; Taniguchi, Yoshinori

2006-02-01

Whether communities respond smoothly or discontinuously to changing environmental conditions has important consequences for the preservation and restoration of ecosystems. Theory shows that communities may exhibit a variety of responses to environmental change, including abrupt transitions due to the existence of alternate states. However, there have been few opportunities to look for such transitions in nature. Here, we examine the impact of a two-orders-of-magnitude decrease and then increase in planktivore abundance in Wintergreen lake (Michigan, USA), caused by the extinction and reintroduction of two dominant fish species (largemouth bass, Micropterus salmoides, and bluegill, Lepomis macrochirus). Over a 16 + yr period of slow change from high planktivory to low planktivory back to high planktivory, the zooplankton community changed smoothly and predictably between states. In years of low planktivory, the zooplankton assemblage was dominated by a single, large, cladoceran species, Daphnia pulicaria, whereas in years of high planktivory, D. pulicaria disappeared and was replaced by a suite of small-bodied cladocerans. We quantified the multivariate change in zooplankton community dissimilarity and found that community state smoothly tracked changes in planktivore density in both a forward and backward direction. Thus, there was little evidence of discontinuity in this system where transitions are strongly driven by planktivory. PMID:16637356

8. Biosynthetic consequences of multiple sequential post-transition-state bifurcations

Hong, Young Joo; Tantillo, Dean J.

2014-02-01

Selectivity in chemical reactions that form complex molecular architectures from simpler precursors is usually rationalized by comparing competing transition-state structures that lead to different possible products. Herein we describe a system for which a single transition-state structure leads to the formation of many isomeric products via pathways that feature multiple sequential bifurcations. The reaction network described connects the pimar-15-en-8-yl cation to miltiradiene, a tricyclic diterpene natural product, and isomers via cyclizations and/or rearrangements. The results suggest that the selectivity of the reaction is controlled by (post-transition-state) dynamic effects, that is, how the carbocation structure changes in response to the distribution of energy in its vibrational modes. The inherent dynamical effects revealed herein (characterized through quasiclassical direct dynamics calculations using density functional theory) have implications not only for the general principles of selectivity prediction in systems with complex potential energy surfaces, but also for the mechanisms of terpene synthase enzymes and their evolution. These findings redefine the challenges faced by nature in controlling the biosynthesis of complex natural products.

9. Reliable Transition State Searches Integrated with the Growing String Method.

PubMed

Zimmerman, Paul

2013-07-01

The growing string method (GSM) is highly useful for locating reaction paths connecting two molecular intermediates. GSM has often been used in a two-step procedure to locate exact transition states (TS), where GSM creates a quality initial structure for a local TS search. This procedure and others like it, however, do not always converge to the desired transition state because the local search is sensitive to the quality of the initial guess. This article describes an integrated technique for simultaneous reaction path and exact transition state search. This is achieved by implementing an eigenvector following optimization algorithm in internal coordinates with Hessian update techniques. After partial convergence of the string, an exact saddle point search begins under the constraint that the maximized eigenmode of the TS node Hessian has significant overlap with the string tangent near the TS. Subsequent optimization maintains connectivity of the string to the TS as well as locks in the TS direction, all but eliminating the possibility that the local search leads to the wrong TS. To verify the robustness of this approach, reaction paths and TSs are found for a benchmark set of more than 100 elementary reactions. PMID:26583985

10. Inherent structure versus geometric metric for state space discretization.

PubMed

Liu, Hanzhong; Li, Minghai; Fan, Jue; Huo, Shuanghong

2016-05-30

Inherent structure (IS) and geometry-based clustering methods are commonly used for analyzing molecular dynamics trajectories. ISs are obtained by minimizing the sampled conformations into local minima on potential/effective energy surface. The conformations that are minimized into the same energy basin belong to one cluster. We investigate the influence of the applications of these two methods of trajectory decomposition on our understanding of the thermodynamics and kinetics of alanine tetrapeptide. We find that at the microcluster level, the IS approach and root-mean-square deviation (RMSD)-based clustering method give totally different results. Depending on the local features of energy landscape, the conformations with close RMSDs can be minimized into different minima, while the conformations with large RMSDs could be minimized into the same basin. However, the relaxation timescales calculated based on the transition matrices built from the microclusters are similar. The discrepancy at the microcluster level leads to different macroclusters. Although the dynamic models established through both clustering methods are validated approximately Markovian, the IS approach seems to give a meaningful state space discretization at the macrocluster level in terms of conformational features and kinetics. © 2016 Wiley Periodicals, Inc. PMID:26915811

11. Coherent States of Quantum Free Particle on the Spherical Space

Dehdashti, Shahram; Roknizadeh, Rasoul; Mahdifar, Ali; Chen, Hongsheng

2016-01-01

In this paper, we study the quantum free particle on the spherical space by applying da costa approach for quantum particle on the curved space. We obtain the discrete energy eigenvalues and associated normalized eigenfunctions of the free particle on the sphere. In addition, we introduce the Gazeau-Klauder coherent states of free particle on the sphere. Then, the Gaussian coherent states is defined, which is used to describe the localized particle on the spherical space. Finally, we study the relation between the f-deformed coherent states and Gazeau-Klauder ones for this system.

12. Crossing the dividing surface of transition state theory. III. Once and only once. Selecting reactive trajectories

SciTech Connect

Lorquet, J. C.

2015-09-14

The purpose of the present work is to determine initial conditions that generate reacting, recrossing-free trajectories that cross the conventional dividing surface of transition state theory (i.e., the plane in configuration space passing through a saddle point of the potential energy surface and perpendicular to the reaction coordinate) without ever returning to it. Local analytical equations of motion valid in the neighborhood of this planar surface have been derived as an expansion in Poisson brackets. We show that the mere presence of a saddle point implies that reactivity criteria can be quite simply formulated in terms of elements of this series, irrespective of the shape of the potential energy function. Some of these elements are demonstrated to be equal to a sum of squares and thus to be necessarily positive, which has a profound impact on the dynamics. The method is then applied to a three-dimensional model describing an atom-diatom interaction. A particular relation between initial conditions is shown to generate a bundle of reactive trajectories that form reactive cylinders (or conduits) in phase space. This relation considerably reduces the phase space volume of initial conditions that generate recrossing-free trajectories. Loci in phase space of reactive initial conditions are presented. Reactivity is influenced by symmetry, as shown by a comparative study of collinear and bent transition states. Finally, it is argued that the rules that have been derived to generate reactive trajectories in classical mechanics are also useful to build up a reactive wave packet.

13. Phase space flow of particles in squeezed states

NASA Technical Reports Server (NTRS)

Ceperley, Peter H.

1994-01-01

The manipulation of noise and uncertainty in squeezed states is governed by the wave nature of the quantum mechanical particles in these states. This paper uses a deterministic model of quantum mechanics in which real guiding waves control the flow of localized particles. This model will be used to examine the phase space flow of particles in typical squeezed states.

14. California's Transition to the Common Core State Standards: The State's Role in Local Capacity Building

ERIC Educational Resources Information Center

Warren, Paul; Murphy, Patrick

2014-01-01

The Common Core State Standards (CCSS) and the Local Control Funding Formula are introducing major changes to California's K-12 system. Implementation of new curricula and instruction is under way at the district level, but California started its transition relatively late and it has taken a more decentralized approach than most other states.…

15. Solid state neutron dosimeter for space applications

NASA Technical Reports Server (NTRS)

Entine, Gerald; Nagargar, Vivek; Sharif, Daud

1990-01-01

Personnel engaged in space flight are exposed to significant flux of high energy neutrons arising from both primary and secondary sources of ionizing radiation. Presently, there exist no compact neutron sensor capable of being integrated in a flight instrument to provide real time measurement of this radiation flux. A proposal was made to construct such an instrument using special PIN silicon diode which has the property of being insensitive to the other forms of ionizing radiation. Studies were performed to determine the design and construction of a better reading system to allow the PIN diode to be read with high precision. The physics of the device was studied, especially with respect to those factors which affect the sensitivity and reproducibility of the neutron response. This information was then used to develop methods to achieve high sensitivity at low neutron doses. The feasibility was shown of enhancing the PIN diode sensitivity to make possible the measurement of the low doses of neutrons encountered in space flights. The new PIN diode will make possible the development of a very compact, accurate, personal neutron dosimeter.

16. On infinite-dimensional state spaces

SciTech Connect

Fritz, Tobias

2013-05-15

It is well known that the canonical commutation relation [x, p]=i can be realized only on an infinite-dimensional Hilbert space. While any finite set of experimental data can also be explained in terms of a finite-dimensional Hilbert space by approximating the commutation relation, Occam's razor prefers the infinite-dimensional model in which [x, p]=i holds on the nose. This reasoning one will necessarily have to make in any approach which tries to detect the infinite-dimensionality. One drawback of using the canonical commutation relation for this purpose is that it has unclear operational meaning. Here, we identify an operationally well-defined context from which an analogous conclusion can be drawn: if two unitary transformations U, V on a quantum system satisfy the relation V{sup -1}U{sup 2}V=U{sup 3}, then finite-dimensionality entails the relation UV{sup -1}UV=V{sup -1}UVU; this implication strongly fails in some infinite-dimensional realizations. This is a result from combinatorial group theory for which we give a new proof. This proof adapts to the consideration of cases where the assumed relation V{sup -1}U{sup 2}V=U{sup 3} holds only up to {epsilon} and then yields a lower bound on the dimension.

17. On infinite-dimensional state spaces

Fritz, Tobias

2013-05-01

It is well known that the canonical commutation relation [x, p] = i can be realized only on an infinite-dimensional Hilbert space. While any finite set of experimental data can also be explained in terms of a finite-dimensional Hilbert space by approximating the commutation relation, Occam's razor prefers the infinite-dimensional model in which [x, p] = i holds on the nose. This reasoning one will necessarily have to make in any approach which tries to detect the infinite-dimensionality. One drawback of using the canonical commutation relation for this purpose is that it has unclear operational meaning. Here, we identify an operationally well-defined context from which an analogous conclusion can be drawn: if two unitary transformations U, V on a quantum system satisfy the relation V-1U2V = U3, then finite-dimensionality entails the relation UV-1UV = V-1UVU; this implication strongly fails in some infinite-dimensional realizations. This is a result from combinatorial group theory for which we give a new proof. This proof adapts to the consideration of cases where the assumed relation V-1U2V = U3 holds only up to ɛ and then yields a lower bound on the dimension.

18. Solid state neutron dosimeter for space applications

Entine, Gerald; Nagargar, Vivek; Sharif, Daud

1990-08-01

Personnel engaged in space flight are exposed to significant flux of high energy neutrons arising from both primary and secondary sources of ionizing radiation. Presently, there exist no compact neutron sensor capable of being integrated in a flight instrument to provide real time measurement of this radiation flux. A proposal was made to construct such an instrument using special PIN silicon diode which has the property of being insensitive to the other forms of ionizing radiation. Studies were performed to determine the design and construction of a better reading system to allow the PIN diode to be read with high precision. The physics of the device was studied, especially with respect to those factors which affect the sensitivity and reproducibility of the neutron response. This information was then used to develop methods to achieve high sensitivity at low neutron doses. The feasibility was shown of enhancing the PIN diode sensitivity to make possible the measurement of the low doses of neutrons encountered in space flights. The new PIN diode will make possible the development of a very compact, accurate, personal neutron dosimeter.

19. A Space for Academic Play: Student Learning Journals as Transitional Writing

ERIC Educational Resources Information Center

Creme, Phyllis

2008-01-01

This article builds on the author's previous research on student learning journals to explore how their use can give students a "space" to engage meaningfully and in their own way with their university work. Drawing on the psychoanalytical concept of transitional space and on notions of narrative, it is argued that the student learning journal can…

20. Public Pedagogy via PostSecret: A Transitional Space Where Private and Public Coincide

ERIC Educational Resources Information Center

Motter, Jennifer L.

2011-01-01

PostSecret (www.postsecret.com) is a transitional space where the in-betweenness of public and private exists. Within this space, peer public pedagogy occurs through critical participatory democratic interactions of community participants. Integrating PostSecret into the art education curriculum can offer the potential for generative knowledge…

1. Third Space Strategists: International Students Negotiating the Transition from Pathway Program to Postgraduate Coursework Degree

ERIC Educational Resources Information Center

Benzie, Helen

2015-01-01

Pathway programs exist to prepare students for progression into university degrees but the transition experience for many students may not be as smooth as is suggested by the notion of the pathway. While attending a pathway program and at the beginning of their university degree, students may be in a third space, a liminal space where they engage…

2. Challenges for Transitioning Science Knowledge to an Operational Environment for Space Weather

NASA Technical Reports Server (NTRS)

Spann, James

2012-01-01

Effectively transitioning science knowledge to an operational environment relevant to space weather is critical to meet the civilian and defense needs, especially considering how technologies are advancing and present evolving susceptibilities to space weather impacts. The effort to transition scientific knowledge to a useful application is not a research task nor is an operational activity, but an effort that bridges the two. Successful transitioning must be an intentional effort that has a clear goal for all parties and measureable outcome and deliverable. This talk will present proven methodologies that have been demonstrated to be effective for terrestrial weather and disaster relief efforts, and how those methodologies can be applied to space weather transition efforts.

3. Deep Space Habitat Concept of Operations for Transit Mission Phases

NASA Technical Reports Server (NTRS)

Hoffman, Stephen J.

2011-01-01

The National Aeronautics and Space Administration (NASA) has begun evaluating various mission and system components of possible implementations of what the U.S. Human Spaceflight Plans Committee (also known as the Augustine Committee) has named the flexible path (Anon., 2009). As human spaceflight missions expand further into deep space, the duration of these missions increases to the point where a dedicated crew habitat element appears necessary. There are several destinations included in this flexible path a near Earth asteroid (NEA) mission, a Phobos/Deimos (Ph/D) mission, and a Mars surface exploration mission that all include at least a portion of the total mission in which the crew spends significant periods of time (measured in months) in the deep space environment and are thus candidates for a dedicated habitat element. As one facet of a number of studies being conducted by the Human Spaceflight Architecture Team (HAT) a workshop was conducted to consider how best to define and quantify habitable volume for these future deep space missions. One conclusion reached during this workshop was the need for a description of the scope and scale of these missions and the intended uses of a habitat element. A group was set up to prepare a concept of operations document to address this need. This document describes a concept of operations for a habitat element used for these deep space missions. Although it may eventually be determined that there is significant overlap with this concept of operations and that of a habitat destined for use on planetary surfaces, such as the Moon and Mars, no such presumption is made in this document.

4. Lagrangian Descriptors of Thermalized Transition States on Time-Varying Energy Surfaces

Craven, Galen T.; Hernandez, Rigoberto

2015-10-01

Thermalized chemical reactions driven under dynamical load are characteristic of activated dynamics for arbitrary nonautonomous systems. Recent generalizations of transition state theory to obtain formally exact rates have required the construction of a time-dependent transition state trajectory. Here, we show that Lagrangian descriptors can be used to obtain this structure directly. By developing a phase space separatrix that is void of recrossings, these constructs allow for the principal criterion in the implementation of modern rate theories to be satisfied. Thus, the reactive flux over a time-varying barrier can be determined without ambiguity in chemical reactions. The generality of the formalism suggests that this approach is applicable to any activated system subjected to arbitrary driving and thermal fluctuations.

5. Lagrangian Descriptors of Thermalized Transition States on Time-Varying Energy Surfaces.

PubMed

Craven, Galen T; Hernandez, Rigoberto

2015-10-01

Thermalized chemical reactions driven under dynamical load are characteristic of activated dynamics for arbitrary nonautonomous systems. Recent generalizations of transition state theory to obtain formally exact rates have required the construction of a time-dependent transition state trajectory. Here, we show that Lagrangian descriptors can be used to obtain this structure directly. By developing a phase space separatrix that is void of recrossings, these constructs allow for the principal criterion in the implementation of modern rate theories to be satisfied. Thus, the reactive flux over a time-varying barrier can be determined without ambiguity in chemical reactions. The generality of the formalism suggests that this approach is applicable to any activated system subjected to arbitrary driving and thermal fluctuations. PMID:26551825

6. Planar homotropenylium cation: a transition state with reversed aromaticity.

PubMed

Gibson, Christopher M; Havenith, Remco W A; Fowler, Patrick W; Jenneskens, Leonardus W

2015-02-01

In contrast to the equilibrium structure of the homoaromatic C(s) homotropenylium cation, C8H9(+) (1), which supports a pinched diatropic ring current, the C(2v) transition state (2) for inversion of the methylene bridge of 1 is antiaromatic and supports a two-lobe paratropic π current, as detected by plotting B3LYP/6-31G** ipsocentric current maps. Participation of the bridge CH bonds is crucial for the change in global character of the current in the transition state, as shown by the quenching of its paratropicity on substitution of H by F. Orbital-based arguments allow rationalization of this transition between homoaromaticity and hyper(conjugative) antiaromaticity. More generally, the hyperconjugative ring current in a family of C(2v) planar-constrained geometries of (CR2)C(N-1)H(N-1)(q) homoannulenes (R = H, F) can be switched from paratropic (antiaromatic) to diatropic (aromatic) by variation of ring size, charge, and bridge substituent. An orbital-based counting rule accounts for these systematic trends. PMID:25526524

7. Simulation of space charge effects and transition crossing in the Fermilab Booster

SciTech Connect

Lucas, P.; MacLachlan, J.

1987-03-01

The longitudinal phase space program ESME, modified for space charge and wall impedance effects, has been used to simulate transition crossing in the Fermilab Booster. The simulations yield results in reasonable quantitative agreement with measured parameters. They further indicate that a transition jump scheme currently under construction will significantly reduce emittance growth, while attempts to alter machine impedance are less obviously beneficial. In addition to presenting results, this paper points out a serious difficulty, related to statistical fluctuations, in the space charge calculation. False indications of emittance growth can appear if care is not taken to minimize this problem.

8. Anisotropic Magnetoresistance State Space of Permalloy Nanowires with Domain Wall Pinning Geometry

PubMed Central

Corte-León, Héctor; Nabaei, Vahid; Manzin, Alessandra; Fletcher, Jonathan; Krzysteczko, Patryk; Schumacher, Hans W.; Kazakova, Olga

2014-01-01

The domain wall-related change in the anisotropic magnetoresistance in L-shaped permalloy nanowires is measured as a function of the magnitude and orientation of the applied magnetic field. The magnetoresistance curves, compiled into so-called domain wall magnetoresistance state space maps, are used to identify highly reproducible transitions between domain states. Magnetic force microscopy and micromagnetic modelling are correlated with the transport measurements of the devices in order to identify different magnetization states. Analysis allows to determine the optimal working parameters for specific devices, such as the minimal field required to switch magnetization or the most appropriate angle for maximal separation of the pinning/depinning fields. Moreover, the complete state space maps can be used to predict evolution of nanodevices in magnetic field without a need of additional electrical measurements and for repayable initialization of magnetic sensors into a well-specified state. PMID:25116470

9. Mechanical induction of transitions into mesenchymal and amoeboid states

Liphardt, Jan

One of the fundamental mysteries of biology lies in the ability of cells to convert from one phenotype to another in response to external control inputs. We have been studying the Epithelial-to-Mesenchymal Transition (EMT), which allows organized assemblies of epithelial cells to scatter into lone mesenchymal cells. EMT is critical for normal development and wound healing, and may be important for cancer metastasis. I'll present recent data on disorganizing mammary epithelial structures. We have used CRISPR to insert fluorescent tags directly into eight EMT-related genes (such as E-cadherin and Vimentin), which allows us to monitor the dynamics of the transition in real time, subject only to delays imposed by fluorophore folding/maturation times. With this information, we can begin to order events in time (temporal resolution 30 minutes), starting with external signal inputs and proceeding through a secession of intracellular changes of gene expression on the path to the mesenchymal state.

10. Symmetry for the nonadiabatic transition in Floquet states

SciTech Connect

Hijii, Keigo; Miyashita, Seiji

2010-01-15

The frequency of the Rabi oscillation driven by a periodic external field varies with the parameters of the external field, e.g., frequency and amplitude, and it becomes zero at some points of the parameters, which is called coherent destruction of tunneling. This phenomenon is understood as a degeneracy of the Floquet quasienergies as a function of the parameters. We prove that the time-reversal symmetry of the external field is a necessary condition of the degeneracy. We demonstrate the gap opening in the quasienergy spectrum in asymmetrically periodically driven systems. Moreover, an adiabatic transition of the Floquet states is demonstrated and analyzed in the analogy to the Landau-Zener transition.

11. Mechanical properties of 4d transition metals in molten state

Singh, Deobrat; Sonvane, Yogesh; Thakor, P. B.

2016-05-01

Mechanical properties of 4d transition metals in molten state have been studied in the present study. We have calculated mechanical properties such as isothermal bulk modulus (B), modulus of rigidity (G), Young's modulus (Y) and Hardness have also been calculated from the elastic part of the Phonon dispersion curve (PDC). To describe the structural information, we have used different structure factor S(q) using Percus-Yevick hard sphere (PYHS) reference systems along with our newly constructed parameter free model potential.To see the influence of exchange and correlation effect on the above said properties of 3d liquid transition metals, we have used Sarkar et al (S)local field correction functions. Present results have been found good in agreement with available experimental data.

12. Control of State Transitions in Complex and Biophysical Networks

Motter, Adilson; Wells, Daniel; Kath, William

Noise is a fundamental part of intracellular processes. While the response of biological systems to noise has been studied extensively, there has been limited understanding of how to exploit it to induce a desired cell state. Here I will present a scalable, quantitative method based on the Freidlin-Wentzell action to predict and control noise-induced switching between different states in genetic networks that, conveniently, can also control transitions between stable states in the absence of noise. I will discuss applications of this methodology to predict control interventions that can induce lineage changes and to identify new candidate strategies for cancer therapy. This framework offers a systems approach to identifying the key factors for rationally manipulating network dynamics, and should also find use in controlling other classes of complex networks exhibiting multi-stability. Reference: D. K. Wells, W. L. Kath, and A. E. Motter, Phys. Rev. X 5, 031036 (2015). Work funded by CBC, NCI, NIGMS, and NSF.

13. Design and Implementation of the Boundary Layer Transition Flight Experiment on Space Shuttle Discovery

NASA Technical Reports Server (NTRS)

Spanos, Theodoros A.; Micklos, Ann

2010-01-01

In an effort to better the understanding of high speed aerodynamics, a series of flight experiments were installed on Space Shuttle Discovery during the STS-119 and STS-128 missions. This experiment, known as the Boundary Layer Transition Flight Experiment (BLTFE), provided the technical community with actual entry flight data from a known height protuberance at Mach numbers at and above Mach 15. Any such data above Mach 15 is irreproducible in a laboratory setting. Years of effort have been invested in obtaining this valuable data, and many obstacles had to be overcome in order to ensure the success of implementing an Orbiter modification. Many Space Shuttle systems were involved in the installation of appropriate components that revealed 'concurrent engineering' was a key integration tool. This allowed the coordination of all various parts and pieces which had to be sequenced appropriately and installed at the right time. Several issues encountered include Orbiter configuration and access, design requirements versus current layout, implementing the modification versus typical processing timelines, and optimizing the engineering design cycles and changes. Open lines of communication within the entire modification team were essential to project success as the team was spread out across the United States, from NASA Kennedy Space Center in Florida, to NASA Johnson Space Center in Texas, to Boeing Huntington Beach, California among others. The forum permits the discussion of processing concerns from the design phase to the implementation phase, which eventually saw the successful flights and data acquisition on STS-119 in March 2009 and on STS-128 in September 2009.

14. Virtual states introduced for overcoming entropic barriers in conformational space

PubMed Central

Higo, Junichi; Nakamura, Haruki

2012-01-01

Free-energy landscape is an important quantity to study large-scale motions of a biomolecular system because it maps possible pathways for the motions. When the landscape consists of thermodynamically stable states (low-energy basins), which are connected by narrow conformational pathways (i.e., bottlenecks), the narrowness slows the inter-basin round trips in conformational sampling. This results in inaccuracy of free energies for the basins. This difficulty is not cleared out even when an enhanced conformational sampling is fairly performed along a reaction coordinate. In this study, to enhance the inter-basin round trips we introduced a virtual state that covers the narrow pathways. The probability distribution function for the virtual state was controlled based on detailed balance condition for the inter-state transitions (transitions between the real-state basins and the virtual state). To mimic the free-energy landscape of a real biological system, we introduced a simple model where a wall separates two basins and a narrow hole is pierced in the wall to connect the basins. The sampling was done based on Monte Carlo (MC). We examined several hole-sizes and inter-state transition probabilities. For a small hole-size, a small inter-state transition probability produced a sampling efficiency 100 times higher than a conventional MC does. This result goes against ones intuition, because one considers generally that the sampling efficiency increases with increasing the transition probability. The present method is readily applicable to enhanced conformational sampling such as multi-canonical or adaptive umbrella sampling, and extendable to molecular dynamics.

15. The Physics of Imaging with Remote Sensors : Photon State Space & Radiative Transfer

NASA Technical Reports Server (NTRS)

Davis, Anthony B.

2012-01-01

Standard (mono-pixel/steady-source) retrieval methodology is reaching its fundamental limit with access to multi-angle/multi-spectral photo- polarimetry. Next... Two emerging new classes of retrieval algorithm worth nurturing: multi-pixel time-domain Wave-radiometry transition regimes, and more... Cross-fertilization with bio-medical imaging. Physics-based remote sensing: - What is "photon state space?" - What is "radiative transfer?" - Is "the end" in sight? Two wide-open frontiers! center dot Examples (with variations.

16. How to upload a physical quantum state into correlation space

Morimae, Tomoyuki

2011-04-01

17. The role of space telescopes in the characterization of transiting exoplanets.

PubMed

Hatzes, Artie P

2014-09-18

Characterization studies now have a dominant role in the field of exoplanets. Such studies include the measurement of an exoplanet's bulk density, its brightness temperature and the chemical composition of its atmosphere. The use of space telescopes has played a key part in the characterization of transiting exoplanets. These facilities offer astronomers data of exquisite precision and temporal sampling as well as access to wavelength regions of the electromagnetic spectrum that are inaccessible from the ground. Space missions such as the Hubble Space Telescope, Microvariability and Oscillations of Stars (MOST), Spitzer Space Telescope, Convection, Rotation and Planetary Transits (CoRoT), and Kepler have rapidly advanced our knowledge of the physical properties of exoplanets and have blazed a trail for a series of future space missions that will help us to understand the observed diversity of exoplanets. PMID:25230657

18. The role of space telescopes in the characterization of transiting exoplanets

Hatzes, Artie P.

2014-09-01

Characterization studies now have a dominant role in the field of exoplanets. Such studies include the measurement of an exoplanet's bulk density, its brightness temperature and the chemical composition of its atmosphere. The use of space telescopes has played a key part in the characterization of transiting exoplanets. These facilities offer astronomers data of exquisite precision and temporal sampling as well as access to wavelength regions of the electromagnetic spectrum that are inaccessible from the ground. Space missions such as the Hubble Space Telescope, Microvariability and Oscillations of Stars (MOST), Spitzer Space Telescope, Convection, Rotation and Planetary Transits (CoRoT), and Kepler have rapidly advanced our knowledge of the physical properties of exoplanets and have blazed a trail for a series of future space missions that will help us to understand the observed diversity of exoplanets.

19. Solid State Molecular Reactors in Space

Maurette, M.

2011-03-01

Lunar minerals and impact glasses, convert the polyatomic beam of solar wind (SW) ions into a flux of small molecules (e.g., H2, N2, H2O, CO, CO2, CH4, C2H4, C2H6, HCN, metal carbides and deuterides, etc.). They thus behave as "Solid State Molecular Reactors". Moreover, ~100-200 μm size micrometeoroids (μMs) have also been exposed to the SW in the zodiacal cloud, before being captured by the Earth and recovered as Antarctic micrometeorites. They are mostly composed of a PAH-rich hydrous-carbonaceous material, which amplifies their power as molecular reactors. In particular, during the first ~200 Myr of the post-lunar period, about 75% of the μMs have been melted and/or volatilized upon atmospheric entry. The release of their volatile species triggered a cosmic volcanism around the mesopause that ruled the formation of the early Earth's atmosphere and climate. Furthermore, a fraction of the μMs that survive unmelted upon atmospheric entry did settle on the proto-oceans floors. Upon further burial in sediments their constituent PAH-rich kerogen was cracked into abiotic oil, which generated giant oil slicks that fed prebiotic chemistry. Many stars, of all ages and types, are embedded into a secondary debris-disk loaded with ion implanted μMs. Some of them are expelled to the interstellar medium (ISM) where they behave first as "dormant-invisible" molecular reactors, until they became reactivated by various processes to synthesize interstellar molecules. This short paper only focus on some highlights of this research dealing with the synthesis of important interstellar molecules, including the most abundant ones (H2 and CO) and H2O, HCN and PAHs, all involved in prebiotic chemistry.

20. Detecting critical state before phase transition of complex systems by hidden Markov model

Liu, Rui; Chen, Pei; Li, Yongjun; Chen, Luonan

Identifying the critical state or pre-transition state just before the occurrence of a phase transition is a challenging task, because the state of the system may show little apparent change before this critical transition during the gradual parameter variations. Such dynamics of phase transition is generally composed of three stages, i.e., before-transition state, pre-transition state, and after-transition state, which can be considered as three different Markov processes. Thus, based on this dynamical feature, we present a novel computational method, i.e., hidden Markov model (HMM), to detect the switching point of the two Markov processes from the before-transition state (a stationary Markov process) to the pre-transition state (a time-varying Markov process), thereby identifying the pre-transition state or early-warning signals of the phase transition. To validate the effectiveness, we apply this method to detect the signals of the imminent phase transitions of complex systems based on the simulated datasets, and further identify the pre-transition states as well as their critical modules for three real datasets, i.e., the acute lung injury triggered by phosgene inhalation, MCF-7 human breast cancer caused by heregulin, and HCV-induced dysplasia and hepatocellular carcinoma.

1. Green's function approach to edge states in transition metal dichalcogenides

Farmanbar, Mojtaba; Amlaki, Taher; Brocks, Geert

2016-05-01

The semiconducting two-dimensional transition metal dichalcogenides MX 2 show an abundance of one-dimensional metallic edges and grain boundaries. Standard techniques for calculating edge states typically model nanoribbons, and require the use of supercells. In this paper, we formulate a Green's function technique for calculating edge states of (semi-)infinite two-dimensional systems with a single well-defined edge or grain boundary. We express Green's functions in terms of Bloch matrices, constructed from the solutions of a quadratic eigenvalue equation. The technique can be applied to any localized basis representation of the Hamiltonian. Here, we use it to calculate edge states of MX 2 monolayers by means of tight-binding models. Aside from the basic zigzag and armchair edges, we study edges with a more general orientation, structurally modifed edges, and grain boundaries. A simple three-band model captures an important part of the edge electronic structures. An 11-band model comprising all valence orbitals of the M and X atoms is required to obtain all edge states with energies in the MX 2 band gap. Here, states of odd symmetry with respect to a mirror plane through the layer of M atoms have a dangling-bond character, and tend to pin the Fermi level.

2. Two Dimensional State Transition of a Swarming Model

Chuang, Yao-Li; Marthaler, Daniel

2005-03-01

A rotating mill is widely seen in swarming patterns of various species, such as ants, fishes, or daphnia. Levine et al. (2000) proposed an individual based model which produces a pair of co- existing clockwise and counter-clockwise mills on top of each other while a unified rotating mill can be achieved by switching the formula of the self-propulsion to an ensemble average. Without changing its fundamental concepts, we modify the model to include a Rayleigh-type self-driving mechanism, which has a cleaner connection to its continuum limit, i.e., macroscopic description, where analysis can be more efficiently done. By varying parameter values, we find that the modified model goes through a three-stage transition from the co-existing state to the unified state. We also compare the numerical results of the model and of its continuum counterpart.

3. Space Grant and Astronomy Education: The State of Washington's Story

Lutz, J.

2000-12-01

This poster summarizes projects that I have been involved in which utilize NASA Space Grant resources to improve K-12 and undergraduate education at institutions in the State of Washington. Examples I will use include the development of preservice courses for K-12 teachers, inservice workshops for K-12 teachers, minigrants for teachers, support of teacher/scientist partnerships, dissemination of NASA and other resources (curriculum, videos, etc.) to teachers, and support for undergraduate research projects, mentoring and scholarships. I will show how these projects contribute to achieving Washington state and national science standards. Space Grant funding exists in every state and can potentially be accessed by astronomers to carry out education projects that are appropriate to their institution and area of interest. Information will be provided on how to contact Space Grant offices in each state.

4. Metal-insulator transitions of bulk and domain-wall states in pyrochlore iridates

Ueda, Kentaro

A family of pyrochlore iridates R2Ir2O7 offers an ideal platform to explore intriguing phases such as topological Mott insulator and Weyl semimetal. Here we report transport and spectroscopic studies on the metal-insulator transition (MIT) induced by the modulations of effective electron correlation and magnetic structures, which is finely tuned by external pressure, chemical substitutions (R = Nd1-x Prx and SmyNd1-y) , and magnetic field. A reentrant insulator-metal-insulator transition is observed near the paramagnetic insulator-metal phase boundary reminiscent of a first-order Mott transition for R = SmyNd1-y compounds (y~0.8). The metallic states on the magnetic domain walls (DWs), which are observed for R = Nd in real space as well as in transport properties, is simultaneously turned into the insulating one. These findings imply that the DW electronic state is intimately linked to the bulk states. For the mixed R = Nd1-x Prx compounds, the divergent behavior of resistivity with antiferromagnetic order is significantly suppressed by applying a magnetic field along [001] direction. It is attributed to the phase transition from the antiferromagnetic insulating state to the novel Weyl (semi-)metal state accompanied by the change of magnetic structure. The present study combined with experiment and theory suggests that there are abundant exotic phases with physical parameters such as electron correlation and Ir-5 d magnetic order pattern. Work performed in collaboration with J. Fujioka, B.-J. Yang, C. Terakura, N. Nagaosa, Y. Tokura (University of Tokyo, RIKEN CEMS), J. Shiogai, A. Tsukazaki, S. Nakamura, S. Awaji (Tohoku University). 1This work was supported by JSPS FIRST Program and Grant-in-Aid for Scientific Research (Grants No. 80609488 and No. 24224009).

5. Physiologic Measures of Animal Stress during Transitional States of Consciousness

PubMed Central

Meyer, Robert E.

2015-01-01

Simple Summary The humaneness, and therefore suitability, of any particular agent or method used to produce unconsciousness in animals, whether for anesthesia, euthanasia, humane slaughter, or depopulation, depends on the experience of pain or distress prior to loss of consciousness. Commonly reported physiologic measures of animal stress, including physical movement and vocalization, heart rate and ECG, electroencephalographic activity, and plasma and neuronal stress markers are discussed within this context. Abstract Determination of the humaneness of methods used to produce unconsciousness in animals, whether for anesthesia, euthanasia, humane slaughter, or depopulation, relies on our ability to assess stress, pain, and consciousness within the contexts of method and application. Determining the subjective experience of animals during transitional states of consciousness, however, can be quite difficult; further, loss of consciousness with different agents or methods may occur at substantially different rates. Stress and distress may manifest behaviorally (e.g., overt escape behaviors, approach-avoidance preferences [aversion]) or physiologically (e.g., movement, vocalization, changes in electroencephalographic activity, heart rate, sympathetic nervous system [SNS] activity, hypothalamic-pituitary axis [HPA] activity), such that a one-size-fits-all approach cannot be easily applied to evaluate methods or determine specific species applications. The purpose of this review is to discuss methods of evaluating stress in animals using physiologic methods, with emphasis on the transition between the conscious and unconscious states. PMID:26479382

6. Transition states of magnetization reversal in ferromagnetic nanorings

Chaves-O'Flynn, Gabriel; Kent, Andrew; Stein, Daniel

2008-03-01

Thin ferromagnetic rings are of interest for fundamental studies of magnetization reversal, in part, because they are a rare example of a geometry for which an analytical solution for the rate of thermally induced switching has been determined [1]. The theoretical model predicts the transition state to be either a global magnetization rotation of constant azimuthal angle or a localized fluctuation, denoted the instanton saddle. Numerically we have confirmed that for a range of values of external magnetic field and ring size the instanton saddle is energetically favored [2]. The model takes the annular width to be small compared to the mean radius of the annulus; in which case the main contribution to the magnetization energy comes from the surface magnetostatic energy. We present numerical micromagnetic calculations of the activation energy for thermally induced magnetization reversal for the two different transition states for the case when the annular width is equal in magnitude to the mean radius of the ring. Results of the total and surface magnetostatic energies are compared for different ring sizes. [1] K. Martens, D.L. Stein, A.D. Kent, PRB 73, 054413 (2006) [2] G.D. Chaves-O'Flynn, K. Xiao, D.L. Stein, A. D. Kent, arXiv:0710.2546 (2007)

7. Chemical potential driven phase transition of black holes in anti-de Sitter space

Galante, Mario; Giribet, Gaston; Goya, Andrés; Oliva, Julio

2015-11-01

Einstein-Maxwell theory conformally coupled to a scalar field in D dimensions may exhibit a phase transition at low temperature whose end point is an asymptotically anti-de Sitter black hole with a scalar field profile that is regular everywhere outside and on the horizon. This provides a tractable model to study the phase transition of hairy black holes in anti-de Sitter space in which the backreaction on the geometry can be solved analytically.

8. Calculating helium atomic excited states in coordinate space

Hall, Shane; Siegel, P. B.

2015-12-01

Two coupled Schrödinger equations are used to calculate excited states of atomic helium. Using product state functions for the two-electron state, the shooting method is used to numerically determine the energies of the allowed singlet and triplet levels. The calculations agree well with the data, and the coordinate-space basis yields Schrödinger equations for helium that are familiar to students who have used similar methods for the hydrogen atom.

9. Conformational Transition of Giant DNA in a Confined Space Surrounded by a Phospholipid Membrane

PubMed Central

Kato, Ayako; Shindo, Eri; Sakaue, Takahiro; Tsuji, Akihiko; Yoshikawa, Kenichi

2009-01-01

It has been established that a long DNA molecule exhibits a large discrete conformational change from a coiled state to a highly folded state in aqueous solution, depending on the presence of various condensing agents such as polyamines. In this study, T4 DNA labeled with fluorescent dyes was encapsulated in a cell-sized microdroplet covered with a phospholipid membrane to investigate the conformational behavior of a DNA molecule in such a confined space. Fluorescence microscopy showed that the presence of Mg2+ induced the adsorption of DNA onto the membrane inner-surface of a droplet composed of phosphatidylethanolamine, while no adsorption was observed onto a phosphatidylcholine membrane. Under the presence of spermine (tetravalent amine), DNA had a folded conformation in the bulk solution. However, when these molecules were encapsulated in the microdroplet, DNA adsorbed onto the membrane surface accompanied by unfolding of its structure into an extended coil conformation under high concentrations of Mg2+. In addition, DNA molecules trapped in large droplets tended not to be adsorbed on the membrane, i.e., no conformational transition occurred. A thermodynamic analysis suggests that the translational entropy loss of a DNA molecule that is accompanied by adsorption is a key factor in these phenomena under micrometer-scale confinement. PMID:19751673

10. Observing in space and time the ephemeral nucleation of liquid-to-crystal phase transitions

PubMed Central

Yoo, Byung-Kuk; Kwon, Oh-Hoon; Liu, Haihua; Tang, Jau; Zewail, Ahmed H.

2015-01-01

The phase transition of crystalline ordering is a general phenomenon, but its evolution in space and time requires microscopic probes for visualization. Here we report direct imaging of the transformation of amorphous titanium dioxide nanofilm, from the liquid state, passing through the nucleation step and finally to the ordered crystal phase. Single-pulse transient diffraction profiles at different times provide the structural transformation and the specific degree of crystallinity (η) in the evolution process. It is found that the temporal behaviour of η exhibits unique ‘two-step' dynamics, with a robust ‘plateau' that extends over a microsecond; the rate constants vary by two orders of magnitude. Such behaviour reflects the presence of intermediate structure(s) that are the precursor of the ordered crystal state. Theoretically, we extend the well-known Johnson–Mehl–Avrami–Kolmogorov equation, which describes the isothermal process with a stretched-exponential function, but here over the range of times covering the melt-to-crystal transformation. PMID:26478194

11. Observing in space and time the ephemeral nucleation of liquid-to-crystal phase transitions.

PubMed

Yoo, Byung-Kuk; Kwon, Oh-Hoon; Liu, Haihua; Tang, Jau; Zewail, Ahmed H

2015-01-01

The phase transition of crystalline ordering is a general phenomenon, but its evolution in space and time requires microscopic probes for visualization. Here we report direct imaging of the transformation of amorphous titanium dioxide nanofilm, from the liquid state, passing through the nucleation step and finally to the ordered crystal phase. Single-pulse transient diffraction profiles at different times provide the structural transformation and the specific degree of crystallinity (η) in the evolution process. It is found that the temporal behaviour of η exhibits unique 'two-step' dynamics, with a robust 'plateau' that extends over a microsecond; the rate constants vary by two orders of magnitude. Such behaviour reflects the presence of intermediate structure(s) that are the precursor of the ordered crystal state. Theoretically, we extend the well-known Johnson-Mehl-Avrami-Kolmogorov equation, which describes the isothermal process with a stretched-exponential function, but here over the range of times covering the melt-to-crystal transformation. PMID:26478194

12. Observing in space and time the ephemeral nucleation of liquid-to-crystal phase transitions

Yoo, Byung-Kuk; Kwon, Oh-Hoon; Liu, Haihua; Tang, Jau; Zewail, Ahmed H.

2015-10-01

The phase transition of crystalline ordering is a general phenomenon, but its evolution in space and time requires microscopic probes for visualization. Here we report direct imaging of the transformation of amorphous titanium dioxide nanofilm, from the liquid state, passing through the nucleation step and finally to the ordered crystal phase. Single-pulse transient diffraction profiles at different times provide the structural transformation and the specific degree of crystallinity (η) in the evolution process. It is found that the temporal behaviour of η exhibits unique two-step' dynamics, with a robust plateau' that extends over a microsecond; the rate constants vary by two orders of magnitude. Such behaviour reflects the presence of intermediate structure(s) that are the precursor of the ordered crystal state. Theoretically, we extend the well-known Johnson-Mehl-Avrami-Kolmogorov equation, which describes the isothermal process with a stretched-exponential function, but here over the range of times covering the melt-to-crystal transformation.

13. America's Next Great Ship: Space Launch System Core Stage Transitioning from Design to Manufacturing

NASA Technical Reports Server (NTRS)

Birkenstock, Benjamin; Kauer, Roy

2014-01-01

The Space Launch System (SLS) Program is essential to achieving the Nation's and NASA's goal of human exploration and scientific investigation of the solar system. As a multi-element program with emphasis on safety, affordability, and sustainability, SLS is becoming America's next great ship of exploration. The SLS Core Stage includes avionics, main propulsion system, pressure vessels, thrust vector control, and structures. Boeing manufactures and assembles the SLS core stage at the Michoud Assembly Facility (MAF) in New Orleans, LA, a historical production center for Saturn V and Space Shuttle programs. As the transition from design to manufacturing progresses, the importance of a well-executed manufacturing, assembly, and operation (MA&O) plan is crucial to meeting performance objectives. Boeing employs classic techniques such as critical path analysis and facility requirements definition as well as innovative approaches such as Constraint Based Scheduling (CBS) and Cirtical Chain Project Management (CCPM) theory to provide a comprehensive suite of project management tools to manage the health of the baseline plan on both a macro (overall project) and micro level (factory areas). These tools coordinate data from multiple business systems and provide a robust network to support Material & Capacity Requirements Planning (MRP/CRP) and priorities. Coupled with these tools and a highly skilled workforce, Boeing is orchestrating the parallel buildup of five major sub assemblies throughout the factory. Boeing and NASA are transforming MAF to host state of the art processes, equipment and tooling, the most prominent of which is the Vertical Assembly Center (VAC), the largest weld tool in the world. In concert, a global supply chain is delivering a range of structural elements and component parts necessary to enable an on-time delivery of the integrated Core Stage. SLS is on plan to launch humanity into the next phase of space exploration.

14. Transition in the Human Exploration of Space at NASA

NASA Technical Reports Server (NTRS)

Koch, Carla A.; Cabana, Robert

2011-01-01

NASA is taking the next step in human exploration, beyond low Earth orbit. We have been going to low Earth orbit for the past 50 years and are using this experience to work with commercial companies to perform this function. This will free NASA resources to develop the systems necessary to travel to a Near Earth Asteroid, the Moon, Lagrange Points, and eventually Mars. At KSC, we are positioning ourselves to become a multi-user launch complex and everything we are working on is bringing us closer to achieving this goal. A vibrant multi-use spaceport is to the 21st Century what the airport was to the 20th Century - an invaluable transportation hub that supports government needs while promoting economic development and commercial markets beyond Earth's atmosphere. This past year saw the end of Shuttle, but the announcements of NASA's crew module, Orion, and heavy-lift rocket, the SLS, as well as the establishment of the Commercial Crew Program. We have a busy, but very bright future ahead of us and KSC is looking forward to playing an integral part in the next era of human space exploration. The future is SLS, 21st Century Ground Systems Program, and the Commercial Crew Program; and the future is here.

15. Phase transitions of the generalized contact process with two absorbing states.

PubMed

Lee, Man Young; Vojta, Thomas

2010-06-01

We investigate the generalized contact process with two absorbing states in one space dimension by means of large-scale Monte Carlo simulations. Treating the creation rate of active sites between inactive domains as an independent parameter leads to a rich phase diagram. In addition to the conventional active and inactive phases we find a parameter region where the simple contact process is inactive, but an infinitesimal creation rate at the boundary between inactive domains is sufficient to take the system into the active phase. Thus, the generalized contact process has two different phase transition lines. The point separating them shares some characteristics with a multicritical point. We also study in detail the critical behaviors of these transitions and their universality. PMID:20866399

16. Bethe-Salpeter bound-state structure in Minkowski space

Gutierrez, C.; Gigante, V.; Frederico, T.; Salmè, G.; Viviani, M.; Tomio, Lauro

2016-08-01

The quantitative investigation of the scalar Bethe-Salpeter equation in Minkowski space, within the ladder-approximation framework, is extended to include the excited states. This study has been carried out for an interacting system composed by two massive bosons exchanging a massive scalar, by adopting (i) the Nakanishi integral representation of the Bethe-Salpeter amplitude, and (ii) the formally exact projection onto the null plane. Our analysis, on one hand, confirms the reliability of the method already applied to the ground state and, on the other one, extends the investigation from the valence distribution in momentum space to the corresponding quantity in the impact-parameter space, pointing out some relevant features, like (i) the equivalence between Minkowski and Euclidean transverse-momentum amplitudes, and (ii) the leading exponential fall-off of the valence wave function in the impact-parameter space.

17. Ongoing Space Nuclear Systems Development in the United States

SciTech Connect

S. Bragg-Sitton; J. Werner; S. Johnson; Michael G. Houts; Donald T. Palac; Lee S. Mason; David I. Poston; A. Lou Qualls

2011-10-01

Reliable, long-life power systems are required for ambitious space exploration missions. Nuclear power and propulsion options can enable a bold, new set of missions and introduce propulsion capabilities to achieve access to science destinations that are not possible with more conventional systems. Space nuclear power options can be divided into three main categories: radioisotope power for heating or low power applications; fission power systems for non-terrestrial surface application or for spacecraft power; and fission power systems for electric propulsion or direct thermal propulsion. Each of these areas has been investigated in the United States since the 1950s, achieving various stages of development. While some nuclear systems have achieved flight deployment, others continue to be researched today. This paper will provide a brief overview of historical space nuclear programs in the U.S. and will provide a summary of the ongoing space nuclear systems research, development, and deployment in the United States.

18. Transition between locked and running states for dimer motion induced by periodic external driving.

PubMed

Hennig, D; Martens, S; Fugmann, S

2008-07-01

We study the motion of a dimer in a one-dimensional spatially periodic washboard potential. The tilt of the latter is time-periodically modulated by an ac field. We focus interest on the detrapping of the (static) ground state solution of the dimer caused by the ac field. Moreover, we demonstrate that slow tilt modulations not only induce a trapping-detrapping transition but drive the dimer dynamics into a regime of transient long-range running states. Most strikingly, the motion proceeds then unidirectionally, so that the dimer covers huge distances regardless of the fact that the bias force in the driven system vanishes on the average. We elucidate the underlying dynamics in phase space and associate long-lasting running states with the motion in ballistic channels occurring due to stickiness to invariant tori. PMID:18763916

19. Space Sciences Education and Outreach Project of Moscow State University

Krasotkin, S.

2006-11-01

sergekras@mail.ru The space sciences education and outreach project was initiated at Moscow State University in order to incorporate modern space research into the curriculum popularize the basics of space physics, and enhance public interest in space exploration. On 20 January 2005 the first Russian University Satellite “Universitetskiy-Tatyana” was launched into circular polar orbit (inclination 83 deg., altitude 940-980 km). The onboard scientific complex “Tatyana“, as well as the mission control and information receiving centre, was designed and developed at Moscow State University. The scientific programme of the mission includes measurements of space radiation in different energy channels and Earth UV luminosity and lightning. The current education programme consists of basic multimedia lectures “Life of the Earth in the Solar Atmosphere” and computerized practice exercises “Space Practice” (based on the quasi-real-time data obtained from “Universitetskiy-Tatyana” satellite and other Internet resources). A multimedia lectures LIFE OF EARTH IN THE SOLAR ATMOSPHERE containing the basic information and demonstrations of heliophysics (including Sun structure and solar activity, heliosphere and geophysics, solar-terrestrial connections and solar influence on the Earth’s life) was created for upper high-school and junior university students. For the upper-university students there a dozen special computerized hands-on exercises were created based on the experimental quasi-real-time data obtained from our satellites. Students specializing in space physics from a few Russian universities are involved in scientific work. Educational materials focus on upper high school, middle university and special level for space physics students. Moscow State University is now extending its space science education programme by creating multimedia lectures on remote sensing, space factors and materials study, satellite design and development, etc. The space

20. State-Space Algorithms for Estimating Spike Rate Functions

PubMed Central

Smith, Anne C.; Scalon, Joao D.; Wirth, Sylvia; Yanike, Marianna; Suzuki, Wendy A.; Brown, Emery N.

2010-01-01

The accurate characterization of spike firing rates including the determination of when changes in activity occur is a fundamental issue in the analysis of neurophysiological data. Here we describe a state-space model for estimating the spike rate function that provides a maximum likelihood estimate of the spike rate, model goodness-of-fit assessments, as well as confidence intervals for the spike rate function and any other associated quantities of interest. Using simulated spike data, we first compare the performance of the state-space approach with that of Bayesian adaptive regression splines (BARS) and a simple cubic spline smoothing algorithm. We show that the state-space model is computationally efficient and comparable with other spline approaches. Our results suggest both a theoretically sound and practical approach for estimating spike rate functions that is applicable to a wide range of neurophysiological data. PMID:19911062

1. A MECHANISM FOR HYSTERESIS IN BLACK HOLE BINARY STATE TRANSITIONS

SciTech Connect

Begelman, Mitchell C.; Armitage, Philip J.

2014-02-20

We suggest that the hysteretic cycle of black hole state transitions arises from two established properties of accretion disks: the increase in turbulent stress in disks threaded by a net magnetic field and the ability of thick (but not thin) disks to advect such a field radially. During quiescence, magnetic field loops are generated by the magnetorotational instability at the interface between the inner hot flow and outer thin disk. Vertical flux is advected into and accumulates stochastically within the inner flow, where it stimulates the turbulence so that α ∼ 1. The transition to a geometrically thin inner disk occurs when L ∼ α{sup 2} L {sub Edd} ∼ L {sub Edd}, and the first ''thin'' disk to form is itself moderately thick, strongly magnetized, and able to advect field inward. These properties favor episodic jet production. As the accretion rate declines magnetic flux escapes, α decreases to α ∼ 0.01-0.1, and a hot inner flow is not re-established until L << L {sub Edd}. We discuss possible observational consequences of our scenario.

2. Shell transitions between metastable states of Yukawa balls

SciTech Connect

Kaeding, S.; Melzer, A.; Block, D.; Piel, A.; Kaehlert, H.; Ludwig, P.; Bonitz, M.

2008-07-15

Spherical dust clusters composed of several concentric shells are experimentally investigated with particular interest on transitions between different configurations and transitions of particles between different shells. Transitions between different ground and metastable configurations are frequently observed. The experimental analysis allows us to derive the energy differences of different configurations from particles traveling between shells. The observed transitions and transition probabilities are compared to molecular dynamics simulations.

3. A new vacuum state in de Sitter space

Pfautsch, Jonathan D.

1982-11-01

We present a new vacuum state which can be defined in a region of de Sitter space. This region corresponds to a K=-1 Robertson-Walker coordinatization of de Sitter space. The renormalized expectation value of the stress tensor for the conformally invariant massless scalar field in this vacuum is evaluated, and is found to differ from the corresponding result in the usual de Sitter-invariant vacuum by the absence of a pure radiation term. We also indicate that this can be accounted for by regarding the de Sitter-invariant vacuum as a thermal state relative to the new vacuum.

4. Estimating state-transition probabilities for unobservable states using capture-recapture/resighting data

USGS Publications Warehouse

Kendall, W.L.; Nichols, J.D.

2002-01-01

Temporary emigration was identified some time ago as causing potential problems in capture-recapture studies, and in the last five years approaches have been developed for dealing with special cases of this general problem. Temporary emigration can be viewed more generally as involving transitions to and from an unobservable state, and frequently the state itself is one of biological interest (e.g., 'nonbreeder'). Development of models that permit estimation of relevant parameters in the presence of an unobservable state requires either extra information (e.g., as supplied by Pollock's robust design) or the following classes of model constraints: reducing the order of Markovian transition probabilities, imposing a degree of determinism on transition probabilities, removing state specificity of survival probabilities, and imposing temporal constancy of parameters. The objective of the work described in this paper is to investigate estimability of model parameters under a variety of models that include an unobservable state. Beginning with a very general model and no extra information, we used numerical methods to systematically investigate the use of ancillary information and constraints to yield models that are useful for estimation. The result is a catalog of models for which estimation is possible. An example analysis of sea turtle capture-recapture data under two different models showed similar point estimates but increased precision for the model that incorporated ancillary data (the robust design) when compared to the model with deterministic transitions only. This comparison and the results of our numerical investigation of model structures lead to design suggestions for capture-recapture studies in the presence of an unobservable state.

5. Formation of metastable excited states during sputtering of transition metals

SciTech Connect

Wucher, A.; Sroubek, Z.

1997-01-01

We propose a simple model which treats the formation of metastable excited neutral atoms during sputtering of a transition metal as a two step process. First, the energy deposited into the electronic system of the solid by electronic energy losses of all moving particles in the collision cascade is considered to lead to a locally altered equilibrium electronic state of the solid. It is found that this step is dominated by collective interaction with the conduction band electrons rather than by electron promotion in binary atom-atom collisions. Second, sputtered excited atoms are assumed to be formed by resonant neutralization of excited ions (reflecting the altered equilibrium state) while crossing the surface. It is shown that this model explains the total as well as the velocity dependent excitation probability observed in recent experiments on sputtered neutral silver atoms, which cannot be understood in terms of existing theories describing the formation of excited states in sputtering. {copyright} {ital 1996} {ital The American Physical Society}

6. Efficient computations of quantum canonical Gibbs state in phase space

Bondar, Denys I.; Campos, Andre G.; Cabrera, Renan; Rabitz, Herschel A.

2016-06-01

The Gibbs canonical state, as a maximum entropy density matrix, represents a quantum system in equilibrium with a thermostat. This state plays an essential role in thermodynamics and serves as the initial condition for nonequilibrium dynamical simulations. We solve a long standing problem for computing the Gibbs state Wigner function with nearly machine accuracy by solving the Bloch equation directly in the phase space. Furthermore, the algorithms are provided yielding high quality Wigner distributions for pure stationary states as well as for Thomas-Fermi and Bose-Einstein distributions. The developed numerical methods furnish a long-sought efficient computation framework for nonequilibrium quantum simulations directly in the Wigner representation.

7. Test of the Chevallier-Polarski-Linder parametrization for rapid dark energy equation of state transitions

SciTech Connect

Linden, Sebastian; Virey, Jean-Marc

2008-07-15

We test the robustness and flexibility of the Chevallier-Polarski-Linder (CPL) parametrization of the dark energy equation of state w(z)=w{sub 0}+w{sub a}(z/1+z) in recovering a four-parameter steplike fiducial model. We constrain the parameter space region of the underlying fiducial model where the CPL parametrization offers a reliable reconstruction. It turns out that non-negligible biases leak into the results for recent (z<2.5) rapid transitions, but that CPL yields a good reconstruction in all other cases. The presented analysis is performed with supernova Ia data as forecasted for a space mission like SNAP/JDEM, combined with future expectations for the cosmic microwave background shift parameter R and the baryonic acoustic oscillation parameter A.

8. Optimizing transition states via kernel-based machine learning.

PubMed

Pozun, Zachary D; Hansen, Katja; Sheppard, Daniel; Rupp, Matthias; Müller, Klaus-Robert; Henkelman, Graeme

2012-05-01

We present a method for optimizing transition state theory dividing surfaces with support vector machines. The resulting dividing surfaces require no a priori information or intuition about reaction mechanisms. To generate optimal dividing surfaces, we apply a cycle of machine-learning and refinement of the surface by molecular dynamics sampling. We demonstrate that the machine-learned surfaces contain the relevant low-energy saddle points. The mechanisms of reactions may be extracted from the machine-learned surfaces in order to identify unexpected chemically relevant processes. Furthermore, we show that the machine-learned surfaces significantly increase the transmission coefficient for an adatom exchange involving many coupled degrees of freedom on a (100) surface when compared to a distance-based dividing surface. PMID:22583204

9. State transitions and decoherence in the avian compass.

PubMed

Poonia, Vishvendra Singh; Saha, Dipankar; Ganguly, Swaroop

2015-05-01

The radical pair model has been successful in explaining behavioral characteristics of the geomagnetic compass believed to underlie the navigation capability of certain avian species. In this study, the spin dynamics of the radical pair model and decoherence therein are interpreted from a microscopic state transition point of view. This helps to elucidate the interplay between the hyperfine and Zeeman interactions that enables the avian compass and clarify the distinctive effects of nuclear and environmental decoherence on it. Three regimes have been identified for the strength of the hyperfine interaction with respect to that of the geomagnetic Zeeman. It is found that the compass is likely to function in the large hyperfine interaction regime. Using a quantum information theoretic quantifier of coherence, we find that nuclear decoherence induces new structure in the spin dynamics for intermediate hyperfine interaction strength. On the other hand, environmental decoherence-modeled by two different noise models-seems to disrupt the compass action. PMID:26066201

10. Co-operativity in a nanocrystalline solid-state transition

White, Sarah L.; Smith, Jeremy G.; Behl, Mayank; Jain, Prashant K.

2013-12-01

Co-operativity is a remarkable phenomenon mostly seen in biology, where initial reaction events significantly alter the propensity of subsequent reaction events, giving rise to a nonlinear tightly regulated synergistic response. Here we have found unique evidence of atomic level co-operativity in an inorganic material. A thousand-atom nanocrystal (NC) of the inorganic solid cadmium selenide exhibits strong positive co-operativity in its reaction with copper ions. A NC doped with a few copper impurities becomes highly prone to be doped even further, driving an abrupt transition of the entire NC to the copper selenide phase, as manifested by a strongly sigmoidal response in optical spectroscopy and electron diffraction measurements. The examples presented here suggest that cooperative phenomena may have an important role in the solid state, especially in the nucleation of new chemical phases, crystal growth, and other materials’ transformations.

11. Co-operativity in a nanocrystalline solid-state transition.

PubMed

White, Sarah L; Smith, Jeremy G; Behl, Mayank; Jain, Prashant K

2013-01-01

Co-operativity is a remarkable phenomenon mostly seen in biology, where initial reaction events significantly alter the propensity of subsequent reaction events, giving rise to a nonlinear tightly regulated synergistic response. Here we have found unique evidence of atomic level co-operativity in an inorganic material. A thousand-atom nanocrystal (NC) of the inorganic solid cadmium selenide exhibits strong positive co-operativity in its reaction with copper ions. A NC doped with a few copper impurities becomes highly prone to be doped even further, driving an abrupt transition of the entire NC to the copper selenide phase, as manifested by a strongly sigmoidal response in optical spectroscopy and electron diffraction measurements. The examples presented here suggest that cooperative phenomena may have an important role in the solid state, especially in the nucleation of new chemical phases, crystal growth, and other materials' transformations. PMID:24335761

12. State transitions and decoherence in the avian compass

Poonia, Vishvendra Singh; Saha, Dipankar; Ganguly, Swaroop

2015-05-01

The radical pair model has been successful in explaining behavioral characteristics of the geomagnetic compass believed to underlie the navigation capability of certain avian species. In this study, the spin dynamics of the radical pair model and decoherence therein are interpreted from a microscopic state transition point of view. This helps to elucidate the interplay between the hyperfine and Zeeman interactions that enables the avian compass and clarify the distinctive effects of nuclear and environmental decoherence on it. Three regimes have been identified for the strength of the hyperfine interaction with respect to that of the geomagnetic Zeeman. It is found that the compass is likely to function in the large hyperfine interaction regime. Using a quantum information theoretic quantifier of coherence, we find that nuclear decoherence induces new structure in the spin dynamics for intermediate hyperfine interaction strength. On the other hand, environmental decoherence—modeled by two different noise models—seems to disrupt the compass action.

13. Comparison of double-ended transition state search methods

Koslover, Elena F.; Wales, David J.

2007-10-01

While a variety of double-ended transition state search methods have been developed, their relative performance in characterizing complex multistep pathways between structurally disparate molecular conformations remains unclear. Three such methods (doubly-nudged elastic band, a string method, and a growing string method) are compared for a series of benchmarks ranging from permutational isomerizations of the seven-atom Lennard-Jones cluster (LJ7) to highly cooperative LJ38 and LJ75 rearrangements, and the folding pathways of two peptides. A database of short paths between LJ13 local minima is used to explore the effects of parameters and suggest reasonable default values. Each double-ended method was employed within the framework of a missing connection network flow algorithm to construct more complicated multistep pathways. We find that in our implementation none of the three methods definitively outperforms the others, and that their relative effectiveness is strongly system and parameter dependent.

14. Comparison of double-ended transition state search methods.

PubMed

Koslover, Elena F; Wales, David J

2007-10-01

While a variety of double-ended transition state search methods have been developed, their relative performance in characterizing complex multistep pathways between structurally disparate molecular conformations remains unclear. Three such methods (doubly-nudged elastic band, a string method, and a growing string method) are compared for a series of benchmarks ranging from permutational isomerizations of the seven-atom Lennard-Jones cluster (LJ(7)) to highly cooperative LJ(38) and LJ(75) rearrangements, and the folding pathways of two peptides. A database of short paths between LJ(13) local minima is used to explore the effects of parameters and suggest reasonable default values. Each double-ended method was employed within the framework of a missing connection network flow algorithm to construct more complicated multistep pathways. We find that in our implementation none of the three methods definitively outperforms the others, and that their relative effectiveness is strongly system and parameter dependent. PMID:17919006

15. Outline of a transition-state hydrogen-bond theory

Gilli, Paola; Bertolasi, Valerio; Pretto, Loretta; Gilli, Gastone

2006-06-01

Though the H-bond is well characterized as a D-H⋯:A three-center-four-electron interaction, the formulation of a general H-bond theory has turned out to be a rather formidable problem because of the extreme variability of the bonds formed (for instance, O-H⋯O energies range from 0.1 to 31 kcal mol -1). This paper surveys our previous contributions to the problem, including: (a) the H-bond chemical leitmotifs (CLs), showing that there are only four classes of strong H-bonds and one of moderately strong ones; (b) the PA/pK a equalization principle , showing that the four CLs forming strong H-bonds are actually molecular devices apt to equalize the acid-base properties (PA or p Ka) of the H-bond donor and acceptor groups; (c) the driving variable of the H-bond strength, which remains so identified as the difference Δp Ka=p KAH(D-H)-p KBH(A-H +) or, alternatively, ΔPA=PA(D -)-PA(A); and, in particular, (d) the transition-state H-bond theory (TSHBT), which interprets the H-bond as a stationary point along the complete proton transfer pathway going from D-H⋯A to D⋯H-A via the D⋯H⋯A transition state. TSHBT is verified in connection with a series of seven 1-(X-phenylazo)-2-naphthols, a class of compounds forming a strong intramolecular resonance-assisted H-bond (RAHB), which is switched from N-H⋯O to N⋯H-O by the decreasing electron-withdrawing properties of the substituent X. The system is studied in terms of: (i) variable-temperature X-ray crystallography; (ii) DFT emulation of stationary points and full PT pathways; (iii) Marcus rate-equilibrium analysis correlated with substituent LFER Hammett parameters.

16. The 2004 Transit of Venus as a Space Science Education Opportunity

Odenwald, S.; Mayo, L.; Vondrak, R.; Thieman, J.; Hawkins, I.; Schultz, G.

2003-12-01

We will present some of the programs and activities that NASA and its missions are preparing in order to support public and K12 education in space science and astronomy using the 2004 transit of Venus as a focal event. The upcoming transit of Venus on June 8 offers a unique opportunity to educate students and the general public about the scale of the solar system and the universe, as well as basic issues in comparative planetology. NASA's Sun-Earth Connection Education Forum is offering a number of programs to take advantage of this rare event. Among these are a live web cast from Spain of the entire transit, a series of radio and TV programs directed at students and the general public, a web cast describing extra-solar planet searches using the transit geometry, and archived observations produced by public observatories and student-operated solar viewers. The NASA/OSS Education Forums will also partner with science museums, planetaria and teachers across the country to bring the transit of Venus 'down to Earth'. In addition to offering enrichment activities in mathematics and space science, we also describe collaborations that have yielded unique historical resources including online archives of newspaper articles from the 1874 and 1882 transits. In addition, in collaboration with the Library of Congress Music Division, we have supported a modern re-orchestration of John Philip Sousa's Transit of Venus March which has not been performed since 1883. We anticipate that the transit of Venus will be a significant event of considerable public interest and curiosity, if the newspaper headlines from the transit seen in 1882 are any indication.

17. Transition: Life-Span and Life-Space Considerations for Empowerment.

ERIC Educational Resources Information Center

Szymanski, Edna Mora

1994-01-01

This article integrates literature from counseling, rehabilitation, multicultural education, and special education to explain the importance of life-span considerations, including the preschool and early school years, and the life-space factors of family, culture, and community. Principles for transition interventions which promote empowerment are…

18. The Transitional Space of History: Reflections on the Play of Roger Simon's Remembrance Pedagogy

ERIC Educational Resources Information Center

Farley, Lisa

2014-01-01

This paper reads Roger Simon's concept of "transactional memory" in relationship to D. W. Winnicott's theory of "transitional space" to examine the emotional dimensions of making historical significance. Drawing on a personal memory of archival study with Simon, I suggest that his attention to the ethical qualities of…

19. Transition from ring to beam arc distributions of water ions near the Space Shuttle orbiter

NASA Technical Reports Server (NTRS)

Cairns, Iver H.

1990-01-01

The distribution function of water ions produced near the Space Shuttle by charge exchange between ionospheric oxygen ions and outgassed water molecules is studied. The transition from a ring to a beam arc distribution function is described. The number density of water ions is found to increase monotonically with decreasing distance from the Shuttle.

20. Predicting Boundary-Layer Transition on Space-Shuttle Re-Entry

NASA Technical Reports Server (NTRS)

Berry, Scott; Horvath, Tom; Merski, Ron; Liechty, Derek; Greene, Frank; Bibb, Karen; Buck, Greg; Hamilton, Harris; Weilmuenster, Jim; Campbell, Chuck; Bouslog, Stan; Kirk, Ben; Bourland, Garry; Cassady, Amy; Anderson, Brian; Reda, Dan; Reuther, James; Kinder, Gerry; Chao, Dennis; Hyatt, Jay; Barnwell, Maria; Wang, K. C.; Schneider, Steve

2008-01-01

The BLT Prediction Tool ("BLT" signifies "Boundary Layer Transition") is provided as part of the Damage Assessment Team analysis package, which is utilized for analyzing local aerothermodynamics environments of damaged or repaired space-shuttle thermal protection tiles. Such analyses are helpful in deciding whether to repair launch-induced damage before re-entering the terrestrial atmosphere.

1. Experience Transitioning Models and Data at the NOAA Space Weather Prediction Center

Berger, Thomas

2016-07-01

The NOAA Space Weather Prediction Center has a long history of transitioning research data and models into operations and with the validation activities required. The first stage in this process involves demonstrating that the capability has sufficient value to customers to justify the cost needed to transition it and to run it continuously and reliably in operations. Once the overall value is demonstrated, a substantial effort is then required to develop the operational software from the research codes. The next stage is to implement and test the software and product generation on the operational computers. Finally, effort must be devoted to establishing long-term measures of performance, maintaining the software, and working with forecasters, customers, and researchers to improve over time the operational capabilities. This multi-stage process of identifying, transitioning, and improving operational space weather capabilities will be discussed using recent examples. Plans for future activities will also be described.

2. Multi-state succession in wetlands: a novel use of state and transition models.

PubMed

Zweig, C L; Kitchens, W M

2009-07-01

The complexity of ecosystems and mechanisms of succession are often simplified by linear and mathematical models used to understand and predict system behavior. Such models often do not incorporate multivariate, nonlinear feedbacks in pattern and process that include multiple scales of organization inherent within real-world systems. Wetlands are ecosystems with unique, nonlinear patterns of succession due to the regular, but often inconstant, presence of water on the landscape. We develop a general, nonspatial state and transition (S and T) succession conceptual model for wetlands and apply the general framework by creating annotated succession/management models and hypotheses for use in impact analysis on a portion of an imperiled wetland. The S and T models for our study area, Water Conservation Area 3A South (WCA3), Florida, U.S.A., included hydrologic and peat depth values from multivariate analyses and classification and regression trees. We used the freeware Vegetation Dynamics Development Tool as an exploratory application to evaluate our S and T models with different management actions (equal chance [a control condition], deeper conditions, dry conditions, and increased hydrologic range) for three communities: slough, sawgrass (Cladium jamaicense), and wet prairie. Deeper conditions and increased hydrologic range behaved similarly, with the transition of community states to deeper states, particularly for sawgrass and slough. Hydrology is the primary mechanism for multi-state transitions within our study period, and we show both an immediate and lagged effect on vegetation, depending on community state. We consider these S and T succession models as a fraction of the framework for the Everglades. They are hypotheses for use in adaptive management, represent the community response to hydrology, and illustrate which aspects of hydrologic variability are important to community structure. We intend for these models to act as a foundation for further

3. Multi-state succession in wetlands: a novel use of state and transition models

USGS Publications Warehouse

Zweig, Christa L.; Kitchens, Wiley M.

2009-01-01

The complexity of ecosystems and mechanisms of succession are often simplified by linear and mathematical models used to understand and predict system behavior. Such models often do not incorporate multivariate, nonlinear feedbacks in pattern and process that include multiple scales of organization inherent within real-world systems. Wetlands are ecosystems with unique, nonlinear patterns of succession due to the regular, but often inconstant, presence of water on the landscape. We develop a general, nonspatial state and transition (S and T) succession conceptual model for wetlands and apply the general framework by creating annotated succession/management models and hypotheses for use in impact analysis on a portion of an imperiled wetland. The S and T models for our study area, Water Conservation Area 3A South (WCA3), Florida, USA, included hydrologic and peat depth values from multivariate analyses and classification and regression trees. We used the freeware Vegetation Dynamics Development Tool as an exploratory application to evaluate our S and T models with different management actions (equal chance [a control condition], deeper conditions, dry conditions, and increased hydrologic range) for three communities: slough, sawgrass (Cladium jamaicense), and wet prairie. Deeper conditions and increased hydrologic range behaved similarly, with the transition of community states to deeper states, particularly for sawgrass and slough. Hydrology is the primary mechanism for multi-state transitions within our study period, and we show both an immediate and lagged effect on vegetation, depending on community state. We consider these S and T succession models as a fraction of the framework for the Everglades. They are hypotheses for use in adaptive management, represent the community response to hydrology, and illustrate which aspects of hydrologic variability are important to community structure. We intend for these models to act as a foundation for further restoration

4. Conformational transition in signal transduction: metastable states and transition pathways in the activation of a signaling protein.

PubMed

Banerjee, Rahul; Yan, Honggao; Cukier, Robert I

2015-06-01

Signal transduction is of vital importance to the growth and adaptation of living organisms. The key to understand mechanisms of biological signal transduction is elucidation of the conformational dynamics of its signaling proteins, as the activation of a signaling protein is fundamentally a process of conformational transition from an inactive to an active state. A predominant form of signal transduction for bacterial sensing of environmental changes in the wild or inside their hosts is a variety of two-component systems, in which the conformational transition of a response regulator (RR) from an inactive to an active state initiates responses to the environmental changes. Here, RR activation has been investigated using RR468 as a model system by extensive unbiased all-atom molecular dynamics (MD) simulations in explicit solvent, starting from snapshots along a targeted MD trajectory that covers the conformational transition. Markov state modeling, transition path theory, and geometric analyses of the wealth of the MD data have provided a comprehensive description of the RR activation. It involves a network of metastable states, with one metastable state essentially the same as the inactive state and another very similar to the active state that are connected via a small set of intermediates. Five major pathways account for >75% of the fluxes of the conformational transition from the inactive to the active-like state. The thermodynamic stability of the states and the activation barriers between states are found, to identify rate-limiting steps. The conformal transition is initiated predominantly by movements of the β3α3 loop, followed by movements of the β4α4-loop and neighboring α4 helix region, and capped by additional movements of the β3α3 loop. A number of transient hydrophobic and hydrogen bond interactions are revealed, and they may be important for the conformational transition. PMID:25945797

5. Zero-momentum coupling induced transitions of ground states in Rashba spin-orbit coupled Bose-Einstein condensates

Jin, Jingjing; Zhang, Suying; Han, Wei

2014-06-01

We investigate the transitions of ground states induced by zero momentum (ZM) coupling in pseudospin-1/2 Rashba spin-orbit coupled Bose-Einstein condensates confined in a harmonic trap. In a weak harmonic trap, the condensate presents a plane wave (PW) state, a stripe state or a spin polarized ZM state, and the particle distribution of the stripe state is weighted equally at two points in the momentum space without ZM coupling. The presence of ZM coupling induces an imbalanced particle distribution in the momentum space, and leads to the decrease of the amplitude of the stripe state. When its strength exceeds a critical value, the system experiences the transition from stripe phase to PW phase. The boundary of these two phases is shifted and a new phase diagram spanned by the ZM coupling and the interatomic interactions is obtained. The presence of ZM coupling can also achieve the transition from ZM phase to PW phase. In a strong harmonic trap, the condensate exhibits a vortex lattice state without ZM coupling. For the positive effective Rabi frequency of ZM coupling, the condensate is driven from a vortex lattice state to a vortex-free lattice state and finally to a PW state with the increase of coupling strength. In addition, for the negative effective Rabi frequency, the condensate is driven from a vortex lattice state to a stripe state, and finally to a PW state. The stripe state found in the strong harmonic trap is different from that in previous works because of its nonzero superfluid velocity along the stripes. We also discuss the influences of the ZM coupling on the spin textures, and indicate that the spin textures are squeezed transversely by the ZM coupling.

6. Space science public outreach at Louisiana State University

Guzik, T. G.; Babin, E.; Cooney, W.; Giammanco, J.; Hartman, D.; McNeil, R.; Slovak, M.; Stacy, J. G.

2004-01-01

Over the last seven years the Astronomy/Astrophysics group in the Department of Physics and Astronomy of Louisiana State University has developed an extensive Space Science education and public outreach program. This program includes partners from state and parish government, the local community, museums and school districts and has directly led to the development of the Highland Road Park Observatory, in-service teacher training program, content standards aligned classroom material and new technology for the classroom. In addition, a new planetarium/space theater opening soon in downtown Baton Rouge, Louisiana will provide our group with new space science education and public outreach opportunities. In this paper, we will discuss details about some of our individual projects.

7. MOST SPACE TELESCOPE PHOTOMETRY OF THE 2010 JANUARY TRANSIT OF EXTRASOLAR PLANET HD80606b

SciTech Connect

Roberts, Jessica E.; Barnes, Jason W.; Rowe, Jason F.

2013-01-01

We present observations of the full 2010 January transit of HD80606b from the Canadian microsatellite, Microvariability and Oscillations of Stars. By employing a space-based telescope, we monitor the entire transit, thus limiting systematic errors that result from ground observations. We determine measurements for the planetary radius (R{sub p} = 0.987 {+-} 0.061 R {sub Jup}) and inclination (i = 89. Degree-Sign 283 {+-} 0.024) by constraining our fits with the observed parameters of different groups. Our measured mid-transit time of 2455210.6449 {+-} 0.0034 HJD is consistent with the 2010 Spitzer results and is 20 minutes earlier than predicted by groups who observed the 2009 June transit.

8. Enabling technologies for transition to utilization of space-based resources and operations

NASA Technical Reports Server (NTRS)

Sadin, S. R.; Litty, J. D.

1985-01-01

This article explores a potential scenario for the further development of space infrastructure resources and operations management. It is a scenario that transitions from the current ground-based system to an architecture that is predominantly space-based by exploiting key mission systems in an operational support role. If this view is accurate, an examination of the range of potential infrastructure elements and how they might interact in a maximally productive space-based operations complex is needed, innovative technologies beyond the current Shuttle and Space Station legacy need to be identified, and research programs pursued. Development of technologies within the areas of telerobotics, machine autonomy, human autonomy, in-space manufacturing and construction, propulsion and energy is discussed.

9. Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers

SciTech Connect

Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert H.; Okamoto, Satoshi; Xiao, Di

2015-06-16

Layered transition-metal trichalcogenides with the chemical formula ABX3 have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we investigate the magnetic ground states of monolayers of Mn- and Cr-based semiconducting trichalcogenides.We show that the second and third nearest-neighbor exchange interactions (J2 and J3) between magnetic ions, which have been largely overlooked in previous theoretical studies, are crucial in determining the magnetic ground state. Specifically, we find that monolayer CrSiTe3 is an antiferromagnet with a zigzag spin texture due to significant contribution from J3, whereas CrGeTe3 is a ferromagnet with a Curie temperature of 106 K. Monolayers of Mn compounds (MnPS3 and MnPSe3) always show antiferromagnetic N eel order. We identify the physical origin of various exchange interactions, and demonstrate that strain can be an effective knob for tuning the magnetic properties. Possible magnetic ordering in the bulk is also discussed. In conclusion, our study suggests that ABX3 can be a promising platform to explore two-dimensional magnetic phenomena.

10. Magnetic ground state of semiconducting transition-metal trichalcogenide monolayers

DOE PAGESBeta

Sivadas, Nikhil; Daniels, Matthew W.; Swendsen, Robert H.; Okamoto, Satoshi; Xiao, Di

2015-06-16

Layered transition-metal trichalcogenides with the chemical formula ABX3 have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we investigate the magnetic ground states of monolayers of Mn- and Cr-based semiconducting trichalcogenides.We show that the second and third nearest-neighbor exchange interactions (J2 and J3) between magnetic ions, which have been largely overlooked in previous theoretical studies, are crucial in determining the magnetic ground state. Specifically, we find that monolayer CrSiTe3 is an antiferromagnet with a zigzag spin texture due to significant contribution from J3, whereas CrGeTe3 is a ferromagnet with a Curie temperaturemore » of 106 K. Monolayers of Mn compounds (MnPS3 and MnPSe3) always show antiferromagnetic N eel order. We identify the physical origin of various exchange interactions, and demonstrate that strain can be an effective knob for tuning the magnetic properties. Possible magnetic ordering in the bulk is also discussed. In conclusion, our study suggests that ABX3 can be a promising platform to explore two-dimensional magnetic phenomena.« less

11. The Antarctic psychrophile, Chlamydomonas subcaudata, is deficient in state I-state II transitions.

PubMed

Morgan-Kiss, Rachael M; Ivanov, Alexander G; Huner, Norman P A

2002-01-01

State I-State II transitions were monitored in vivo and in vitro in the Antarctic, psychrophillic, green alga, Chlamydomonas subcaudata, as changes in the low-temperature (77 K) chlorophyll fluorescence emission maxima at 722 nm (F722) relative to 699 nm (F699). As expected, the control mesophillic species, Chlamydomonas reinhardtii, was able to modulate the light energy distribution between photosystem II and photosystem I in response to exposure to four different conditions: (i) dark/anaerobic conditions, (ii) a change in Mg2+ concentration, (iii) red light, and (iv) increased incubation temperature. This was correlated with the ability to phosphorylate both of its major light-harvesting polypeptides. In contrast, exposure of C. subcaudata to the same four conditions induced minimum alterations in the 77 K fluorescence emission spectra, which was correlated with the ability to phosphorylate only one of its major light-harvesting polypeptides. Thus, C. subcaudata appears to be deficient in the ability to undergo a State I-State II transition. Functionally, this is associated with alterations in the apparent redox status of the intersystem electron transport chain and with higher rates of photosystem I cyclic electron transport in the psychrophile than in the mesophile, based on in vivo P700 measurements. Structurally, this deficiency is associated with reduced levels of Psa A/B relative to D1, the absence of specific photosystem I light-harvesting polypeptides [R.M. Morgan et al. (1998) Photosynth Res 56:303-314] and a cytochrome b6/f complex that exhibits a form of cytochrome f that is approximately 7 kDa smaller than that observed in C. reinhardtii. We conclude that the Antarctic psychrophile, C. subcaudata, is an example of a natural variant deficient in State I-State II transitions. PMID:11859846

12. Time-dependent evolution of cosmic-ray-modified shock structure: Transition to steady state

NASA Technical Reports Server (NTRS)

Donohue, D. J.; Zank, G. P.; Webb, G. M.

1994-01-01

Steady state solutions to the two-fluid equations of cosmic-ray-modified shock structure were investigated first by Drury and Volk (1981). Their analysis revealed, among other properties, that there exist regions of upstream parameter space where the equations possess three different downstream solutions for a given upstream state. In this paper we investigate whether or not all these solutions can occur as time-asymptotic states in a physically realistic evolution. To do this, we investigate the time-dependent evolution of the two-fluid cosmic-ray equations in going from a specified initial condition to a steady state. Our results indicate that the time-asymptotic solution is strictly single-valued, and it undergoes a transition from weakly to strongly cosmic-ray-modified at a critical value of the upstream cosmic ray energy density. The expansion of supernova remnant shocks is considered as an example, and it is shown that the strong to weak transition is in fact more likely. The third intermediate solution is shown to influence the time-dependent evolution of the shock, but it is not found to be a stable time-asymptotic state. Timescales for convergence to these states and their implications for the efficiency of shock acceleration are considered. We also investigate the effects of a recently introduced model for the injection of seed particles into the shock accelerated cosmic-ray population. The injection is found to result in a more strongly cosmic-ray-dominated shock, which supports our conclusion that for most classes of intermediate and strong cosmic-ray-modified shocks, the downstream cosmic-ray pressure component is at least as large as the thermal gas pressure, independent of the upstream state. As a result, cosmic rays almost always play a significant role in determining the shock structure and dissipation and they cannot be regarded as test particles.

13. Time-dependent evolution of cosmic-ray-modified shock structure: Transition to steady state

Donohue, D. J.; Zank, G. P.; Webb, G. M.

1994-03-01

Steady state solutions to the two-fluid equations of cosmic-ray-modified shock structure were investigated first by Drury and Volk (1981). Their analysis revealed, among other properties, that there exist regions of upstream parameter space where the equations possess three different downstream solutions for a given upstream state. In this paper we investigate whether or not all these solutions can occur as time-asymptotic states in a physically realistic evolution. To do this, we investigate the time-dependent evolution of the two-fluid cosmic-ray equations in going from a specified initial condition to a steady state. Our results indicate that the time-asymptotic solution is strictly single-valued, and it undergoes a transition from weakly to strongly cosmic-ray-modified at a critical value of the upstream cosmic ray energy density. The expansion of supernova remnant shocks is considered as an example, and it is shown that the strong to weak transition is in fact more likely. The third intermediate solution is shown to influence the time-dependent evolution of the shock, but it is not found to be a stable time-asymptotic state. Timescales for convergence to these states and their implications for the efficiency of shock acceleration are considered. We also investigate the effects of a recently introduced model for the injection of seed particles into the shock accelerated cosmic-ray population. The injection is found to result in a more strongly cosmic-ray-dominated shock, which supports our conclusion that for most classes of intermediate and strong cosmic-ray-modified shocks, the downstream cosmic-ray pressure component is at least as large as the thermal gas pressure, independent of the upstream state. As a result, cosmic rays almost always play a significant role in determining the shock structure and dissipation and they cannot be regarded as test particles.

14. Studies of transition states and radicals by negative ion photodetachment

SciTech Connect

Metz, R.B.

1991-12-01

Negative ion photodetachment is a versatile tool for the production and study of transient neutral species such as reaction intermediates and free radicals. Photodetachment of the stable XHY{sup {minus}} anion provides a direct spectroscopic probe of the transition state region of the potential energy surface for the neutral hydrogen transfer reaction X + HY {yields} XH + Y, where X and Y are halogen atoms. The technique is especially sensitive to resonances, which occur at a specific energy, but the spectra also show features due to direct scattering. We have used collinear adiabatic simulations of the photoelectron spectra to evaluate trail potential energy surfaces for the biomolecular reactions and have extended the adiabatic approach to three dimensions and used it to evaluate empirical potential energy surfaces for the I + Hl and Br + HI reactions. In addition, we have derived an empirical, collinear potential energy surface for the Br + HBr reaction that reproduces our experimental results and have extended this surface to three dimensions. Photodetachment of a negative ion can be also used to study neutral free radicals. We have studied the vibrational and electronic spectroscopy of CH{sub 2}NO{sub 2} by photoelectron spectroscopy of CH{sub 2}NO{sub 2}{sup {minus}}, determining the electron affinity of CH{sub 2}NO{sub 2}, gaining insight on the bonding of the {sup 2}B{sub 1} ground state and observing the {sup 2}A{sub 2} excited state for the first time. Negative ion photodetachment also provides a novel and versatile source of mass-selected, jet-cooled free radicals. We have studied the photodissociation of CH{sub 2}NO{sub 2} at 270, 235, and 208 nm, obtaining information on the dissociation products by measuring the kinetic energy release in the photodissociation.

15. Evaluating Russian space nuclear reactor technology for United States applications

SciTech Connect

Polansky, G.F.; Schmidt, G.L.; Voss, S.S.; Reynolds, E.L.

1994-08-01

Space nuclear power and nuclear electric propulsion are considered important technologies for planetary exploration, as well as selected earth orbit applications. The Nuclear Electric Propulsion Space Test Program (NEPSTP) was intended to provide an early flight demonstration of these technologies at relatively low cost through extensive use of existing Russian technology. The key element of Russian technology employed in the program was the Topaz II reactor. Refocusing of the activities of the Ballistic Missile Defense Organization (BMDO), combined with budgetary pressures, forced the cancellation of the NEPSTP at the end of the 1993 fiscal year. The NEPSTP was faced with many unique flight qualification issues. In general, the launch of a spacecraft employing a nuclear reactor power system complicates many spacecraft qualification activities. However, the NEPSTP activities were further complicated because the reactor power system was a Russian design. Therefore, this program considered not only the unique flight qualification issues associated with space nuclear power, but also with differences between Russian and United States flight qualification procedures. This paper presents an overview of the NEPSTP. The program goals, the proposed mission, the spacecraft, and the Topaz II space nuclear power system are described. The subject of flight qualification is examined and the inherent difficulties of qualifying a space reactor are described. The differences between United States and Russian flight qualification procedures are explored. A plan is then described that was developed to determine an appropriate flight qualification program for the Topaz II reactor to support a possible NEPSTP launch.

16. State transition matrix for long-distance formation with J2 in eccentric orbits

2014-08-01

The relative state transition of spacecraft formation flying is considered in this paper. In eccentric orbits, the Tschauner-Hempel (TH) equations are used to express the relative motion between a deputy spacecraft and a chief spacecraft. Perturbation forces are not considered in the TH equations, and the relative distance between two spacecraft is limited to a short range. In this paper, the effects of the J2 perturbation forces are considered, and the case of relatively long distance between two spacecraft is focused. A state transition matrix applicable to such cases is derived. The state transition matrix is expressed by adding some compensating terms to the state transition matrix of the TH equations. The usefulness of the proposed state transition matrix relative to the state transition matrix of the TH equations is shown through numerical simulations from the viewpoint of position error.

17. Implementing Secondary Transition Evidence-Based Practices: A Multi-State Survey of Transition Service Providers

ERIC Educational Resources Information Center

Mazzotti, Valerie L.; Plotner, Anthony J.

2016-01-01

Inadequate transition outcomes for youth with disabilities have produced a call for enhanced transition service delivery that includes implementation of evidence-based practices (EBPs). However, research indicates transition service providers still lack the knowledge and skills to effectively implement EBPs to ensure youth with disabilities…

18. Transiting exoplanets from the CoRoT space mission. XXVI. CoRoT-24: a transiting multiplanet system

Alonso, R.; Moutou, C.; Endl, M.; Almenara, J.-M.; Guenther, E. W.; Deleuil, M.; Hatzes, A.; Aigrain, S.; Auvergne, M.; Baglin, A.; Barge, P.; Bonomo, A. S.; Bordé, P.; Bouchy, F.; Cavarroc, C.; Cabrera, J.; Carpano, S.; Csizmadia, Sz.; Cochran, W. D.; Deeg, H. J.; Díaz, R. F.; Dvorak, R.; Erikson, A.; Ferraz-Mello, S.; Fridlund, M.; Fruth, T.; Gandolfi, D.; Gillon, M.; Grziwa, S.; Guillot, T.; Hébrard, G.; Jorda, L.; Léger, A.; Lammer, H.; Lovis, C.; MacQueen, P. J.; Mazeh, T.; Ofir, A.; Ollivier, M.; Pasternacki, T.; Pätzold, M.; Queloz, D.; Rauer, H.; Rouan, D.; Santerne, A.; Schneider, J.; Tadeu dos Santos, M.; Tingley, B.; Titz-Weider, R.; Weingrill, J.; Wuchterl, G.

2014-07-01

We present the discovery of a candidate multiply transiting system, the first one found in the CoRoT mission. Two transit-like features with periods of 5.11 and 11.76 d are detected in the CoRoT light curve around a main sequence K1V star of r = 15.1. If the features are due to transiting planets around the same star, these would correspond to objects of 3.7 ± 0.4 and 5.0 ± 0.5 R⊕ , respectively. Several radial velocities serve to provide an upper limit of 5.7 M⊕ for the 5.11 d signal and to tentatively measure a mass of 28+11-11 M⊕ for the object transiting with a 11.76 d period. These measurements imply low density objects, with a significant gaseous envelope. The detailed analysis of the photometric and spectroscopic data serves to estimate the probability that the observations are caused by transiting Neptune-sized planets as much as over 26 times higher than a blend scenario involving only one transiting planet and as much as over 900 times higher than a scenario involving two blends and no planets. The radial velocities show a long-term modulation that might be attributed to a 1.5 MJup planet orbiting at 1.8 AU from the host, but more data are required to determine the precise orbital parameters of this companion. The CoRoT space mission, launched on 27 December 2006, has been developed and is operated by the CNES, with the contribution of Austria, Belgium, Brazil, ESA (RSSD and Science Program), Germany, and Spain. Some of the observations were made with the HARPS spectrograph at ESO La Silla Observatory (184.C-0639) and with the HIRES spectrograph at the Keck Telescope (N035Hr, N143Hr 260 and N095Hr). Partly based on observations obtained at ESO Paranal Observatory, Chile (086.C-0235(A) and B).Tables 2-4 and Fig. 12 are available in electronic form at http://www.aanda.org

19. Bauman Moscow State Technical University Youth Space Centre: Student's Way in Space Technologies

Mayorova, Victoria; Zelentsov, Victor

2002-01-01

The Youth Space Center (YSC) was established in Bauman Moscow State Technical University (BMSTU) in 1989 to provide primary aerospace education for young people, stimulate youth creative research thinking, promote space science and technology achievements and develop cooperation with other youth organizations in the international aerospace community. The center is staffed by the Dr. Victoria Mayorova, BMSTU Associate Professor, the YSC director, Dr. Boris Kovalev, BMSTU Associate Professor, the YSC scientific director, 5 student consultants and many volunteers. Informally YSC is a community of space enthusiasts, an open club for BMSTU students interested in space science and technology and faculty teaching in this field. YSC educational activities are based on the concept of uninterrupted aerospace education, developed and implemented by the center. The concept includes working with young space interested people both in school and university and then assisting them in getting interesting job in Russian Space Industry. The school level educational activities of the center has got different forms, such as lecturing, summer scientific camps and even Classes from Space given by Mir space station flight crew in Mission Control Center - Moscow and done in cooperation with All- Russian Aerospace Society Soyuz (VAKO Soyuz). This helps to stimulate the young people interest to the fundamental sciences ( physics, mathematics, computer science, etc.) exploiting and developing their interest to space and thus increase the overall educational level in the country. YSC hosts annual Cosmonautics conference for high school students that provides the University with capability to select well-prepared and motivated students for its' rocket and space related departments. For the conference participants it's a good opportunity to be enrolled to the University without entrance examinations. BMSTU students can participate in such YSC activities as annual international workshop for space

20. Exploring the phase space of multiple states in highly turbulent Taylor-Couette flow

van der Veen, Roeland; Huisman, Sander; Dung, On Yu; Tang, Ho Lun; Sun, Chao; Lohse, Detlef

2015-11-01

It was recently found that multiple turbulent states exist for large Reynolds number (Re =106) Taylor-Couette flow in the regime of ultimate turbulence. Here we investigate how the transitions between the multiple states depend on the Reynolds number in the range of Re =105 to 2 .106 , by measuring global torque and local velocity while probing the phase space spanned by the rotation rates of the inner and outer cylinder. This sheds light on the question whether multiple states persist for Reynolds numbers beyond those currently reached. By mapping the flow structures for various rotation ratios in two Taylor-Couette setups with equal radius ratio but different aspect ratio, we furthermore investigate the influence of aspect ratio on the characteristics of the multiple states.

1. Bayesian state space models for dynamic genetic network construction across multiple tissues.

PubMed

2016-08-01

Construction of gene-gene interaction networks and potential pathways is a challenging and important problem in genomic research for complex diseases while estimating the dynamic changes of the temporal correlations and non-stationarity are the keys in this process. In this paper, we develop dynamic state space models with hierarchical Bayesian settings to tackle this challenge for inferring the dynamic profiles and genetic networks associated with disease treatments. We treat both the stochastic transition matrix and the observation matrix time-variant and include temporal correlation structures in the covariance matrix estimations in the multivariate Bayesian state space models. The unevenly spaced short time courses with unseen time points are treated as hidden state variables. Hierarchical Bayesian approaches with various prior and hyper-prior models with Monte Carlo Markov Chain and Gibbs sampling algorithms are used to estimate the model parameters and the hidden state variables. We apply the proposed Hierarchical Bayesian state space models to multiple tissues (liver, skeletal muscle, and kidney) Affymetrix time course data sets following corticosteroid (CS) drug administration. Both simulation and real data analysis results show that the genomic changes over time and gene-gene interaction in response to CS treatment can be well captured by the proposed models. The proposed dynamic Hierarchical Bayesian state space modeling approaches could be expanded and applied to other large scale genomic data, such as next generation sequence (NGS) combined with real time and time varying electronic health record (EHR) for more comprehensive and robust systematic and network based analysis in order to transform big biomedical data into predictions and diagnostics for precision medicine and personalized healthcare with better decision making and patient outcomes. PMID:27343475

2. High School to College Transition Policy in the American States: Conceptual and Analytic Perspectives on Conducting Across-State Study

ERIC Educational Resources Information Center

McLendon, Michael; Heller, Donald E.; Lee, Stephanie

2009-01-01

Researchers have paid scant attention to the opportunities and the barriers associated with across-state study of college-transition policies, although the American states comprise a social system especially well suited for comparative analysis. What sorts of questions should researchers ask about college-transition policies and programs? How…

3. Pure state consciousness and its local reduction to neuronal space

Duggins, A. J.

2013-01-01

The single neuronal state can be represented as a vector in a complex space, spanned by an orthonormal basis of integer spike counts. In this model a scalar element of experience is associated with the instantaneous firing rate of a single sensory neuron over repeated stimulus presentations. Here the model is extended to composite neural systems that are tensor products of single neuronal vector spaces. Depiction of the mental state as a vector on this tensor product space is intended to capture the unity of consciousness. The density operator is introduced as its local reduction to the single neuron level, from which the firing rate can again be derived as the objective correlate of a subjective element. However, the relational structure of perceptual experience only emerges when the non-local mental state is considered. A metric of phenomenal proximity between neuronal elements of experience is proposed, based on the cross-correlation function of neurophysiology, but constrained by the association of theoretical extremes of correlation/anticorrelation in inseparable 2-neuron states with identical and opponent elements respectively.

4. Transitioning Models and Model Output to Space Weather Operations: Challenges and Opportunities

NASA Technical Reports Server (NTRS)

Hesse, Michael; Berrios, David; Chulaki, Anna; Kuznetsova, Maria M.; MacNeice, Peter J.; Maddox, Mario; Rastaetter, Lutz; Taktakishvili, Aleksandre

2009-01-01

The transition of space weather models or of information derived from space weather models to space weather forecasting is the last step of the chain from model development to model deployment in forecasting operations. As such, it is an extremely important element of the quest to increase our national capability to forecast and mitigate space weather hazards. It involves establishing customer requirements, and analyses of available models, which are, in principle, capable of delivering the required product. Models will have to be verified and validated prior to a selection of the best performing model. Further considerations include operational hardware, and the availability of data streams to drive the model. The final steps include the education of forecasters, and the implementation on gateway hardware prior to operational use. This presentation will provide a discussion of opportunities for rapid progress from the viewpoint of the Community Coordinated Modeling Center.

5. Speaker-Independent Phoneme Alignment Using Transition-Dependent States

PubMed Central

Hosom, John-Paul

2009-01-01

Determining the location of phonemes is important to a number of speech applications, including training of automatic speech recognition systems, building text-to-speech systems, and research on human speech processing. Agreement of humans on the location of phonemes is, on average, 93.78% within 20 msec on a variety of corpora, and 93.49% within 20 msec on the TIMIT corpus. We describe a baseline forced-alignment system and a proposed system with several modifications to this baseline. Modifications include the addition of energy-based features to the standard cepstral feature set, the use of probabilities of a state transition given an observation, and the computation of probabilities of distinctive phonetic features instead of phoneme-level probabilities. Performance of the baseline system on the test partition of the TIMIT corpus is 91.48% within 20 msec, and performance of the proposed system on this corpus is 93.36% within 20 msec. The results of the proposed system are a 22% relative reduction in error over the baseline system, and a 14% reduction in error over results from a non-HMM alignment system. This result of 93.36% agreement is the best known reported result on the TIMIT corpus. PMID:20161342

6. Transition-state theory predicts clogging at the microscale

PubMed Central

Laar, T. van de; Klooster, S. ten; Schroën, K.; Sprakel, J.

2016-01-01

Clogging is one of the main failure mechanisms encountered in industrial processes such as membrane filtration. Our understanding of the factors that govern the build-up of fouling layers and the emergence of clogs is largely incomplete, so that prevention of clogging remains an immense and costly challenge. In this paper we use a microfluidic model combined with quantitative real-time imaging to explore the influence of pore geometry and particle interactions on suspension clogging in constrictions, two crucial factors which remain relatively unexplored. We find a distinct dependence of the clogging rate on the entrance angle to a membrane pore which we explain quantitatively by deriving a model, based on transition-state theory, which describes the effect of viscous forces on the rate with which particles accumulate at the channel walls. With the same model we can also predict the effect of the particle interaction potential on the clogging rate. In both cases we find excellent agreement between our experimental data and theory. A better understanding of these clogging mechanisms and the influence of design parameters could form a stepping stone to delay or prevent clogging by rational membrane design. PMID:27328715

7. A Transition State Analogue for an RNA-Editing Reaction

PubMed Central

Haudenschild, Brittany L.; Maydanovych, Olena; Véliz, Eduardo A.; Macbeth, Mark R.; Bass, Brenda L.; Beal, Peter A.

2007-01-01

Deamination at C6 of adenosine in RNA catalyzed by the ADAR enzymes generates inosine at the corresponding position. Because inosine is decoded as guanosine during translation, this modification can lead to codon changes in messenger RNA. Hydration of 8-azanebularine across the C6–N1 double bond generates an excellent mimic of the transition state proposed for the hydrolytic deamination reaction catalyzed by ADARs. Here, we report the synthesis of a phosphoramidite of 8-azanebularine and its use in the preparation of RNAs mimicking the secondary structure found at a known editing site in the glutamate receptor B subunit pre-mRNA. The binding properties of analogue-containing RNAs indicate that a tight binding ligand for an ADAR can be generated by incorporation of 8-azanebularine. The observed high-affinity binding is dependent on a functional active site, the presence of one, but not the other, of ADAR2’s two double-stranded RNA-binding motifs (dsRBMs), and the correct placement of the nucleoside analogue into the sequence/structural context of a known editing site. These results advance our understanding of substrate recognition during ADAR-catalyzed RNA editing and are important for structural studies of ADAR· RNA complexes. PMID:15355102

8. Transition-state theory predicts clogging at the microscale.

PubMed

Laar, T van de; Klooster, S Ten; Schroën, K; Sprakel, J

2016-01-01

Clogging is one of the main failure mechanisms encountered in industrial processes such as membrane filtration. Our understanding of the factors that govern the build-up of fouling layers and the emergence of clogs is largely incomplete, so that prevention of clogging remains an immense and costly challenge. In this paper we use a microfluidic model combined with quantitative real-time imaging to explore the influence of pore geometry and particle interactions on suspension clogging in constrictions, two crucial factors which remain relatively unexplored. We find a distinct dependence of the clogging rate on the entrance angle to a membrane pore which we explain quantitatively by deriving a model, based on transition-state theory, which describes the effect of viscous forces on the rate with which particles accumulate at the channel walls. With the same model we can also predict the effect of the particle interaction potential on the clogging rate. In both cases we find excellent agreement between our experimental data and theory. A better understanding of these clogging mechanisms and the influence of design parameters could form a stepping stone to delay or prevent clogging by rational membrane design. PMID:27328715

9. Transition-state theory predicts clogging at the microscale

Laar, T. Van De; Klooster, S. Ten; Schroën, K.; Sprakel, J.

2016-06-01

Clogging is one of the main failure mechanisms encountered in industrial processes such as membrane filtration. Our understanding of the factors that govern the build-up of fouling layers and the emergence of clogs is largely incomplete, so that prevention of clogging remains an immense and costly challenge. In this paper we use a microfluidic model combined with quantitative real-time imaging to explore the influence of pore geometry and particle interactions on suspension clogging in constrictions, two crucial factors which remain relatively unexplored. We find a distinct dependence of the clogging rate on the entrance angle to a membrane pore which we explain quantitatively by deriving a model, based on transition-state theory, which describes the effect of viscous forces on the rate with which particles accumulate at the channel walls. With the same model we can also predict the effect of the particle interaction potential on the clogging rate. In both cases we find excellent agreement between our experimental data and theory. A better understanding of these clogging mechanisms and the influence of design parameters could form a stepping stone to delay or prevent clogging by rational membrane design.

10. Iterative minimization algorithm for efficient calculations of transition states

Gao, Weiguo; Leng, Jing; Zhou, Xiang

2016-03-01

This paper presents an efficient algorithmic implementation of the iterative minimization formulation (IMF) for fast local search of transition state on potential energy surface. The IMF is a second order iterative scheme providing a general and rigorous description for the eigenvector-following (min-mode following) methodology. We offer a unified interpretation in numerics via the IMF for existing eigenvector-following methods, such as the gentlest ascent dynamics, the dimer method and many other variants. We then propose our new algorithm based on the IMF. The main feature of our algorithm is that the translation step is replaced by solving an optimization subproblem associated with an auxiliary objective function which is constructed from the min-mode information. We show that using an efficient scheme for the inexact solver and enforcing an adaptive stopping criterion for this subproblem, the overall computational cost will be effectively reduced and a super-linear rate between the accuracy and the computational cost can be achieved. A series of numerical tests demonstrate the significant improvement in the computational efficiency for the new algorithm.

11. Fourth-Order Vibrational Transition State Theory and Chemical Kinetics

Stanton, John F.; Matthews, Devin A.; Gong, Justin Z.

2015-06-01

Second-order vibrational perturbation theory (VPT2) is an enormously successful and well-established theory for treating anharmonic effects on the vibrational levels of semi-rigid molecules. Partially as a consequence of the fact that the theory is exact for the Morse potential (which provides an appropriate qualitative model for stretching anharmonicity), VPT2 calculations for such systems with appropriate ab initio potential functions tend to give fundamental and overtone levels that fall within a handful of wavenumbers of experimentally measured positions. As a consequence, the next non-vanishing level of perturbation theory -- VPT4 -- offers only slight improvements over VPT2 and is not practical for most calculations since it requires information about force constants up through sextic. However, VPT4 (as well as VPT2) can be used for other applications such as the next vibrational correction to rotational constants (the gammas'') and other spectroscopic parameters. In addition, the marriage of VPT with the semi-classical transition state theory of Miller (SCTST) has recently proven to be a powerful and accurate treatment for chemical kinetics. In this talk, VPT4-based SCTST tunneling probabilities and cumulative reaction probabilities are give for the first time for selected low-dimensional model systems. The prospects for VPT4, both practical and intrinsic, will also be discussed.

12. Dynamics of transitions between capillary stable states under weightlessness

Srikanth, Praveen

The study of two phase systems with one of the phases obstructing the other is of importance in a lot of fields. Liquid droplets in airways and air bubbles in the blood stream both fall under this category of problems. Helium bubbles in hydrazine fuel lines of satellites also have been found to cause frequent thruster shutdown and also seriously affect spacecraft control. Studies have been carried out until now to look at static equilibrium topologies and stability of such two phase systems in straight, bent and laterally compressed capillaries. In this investigation we look at the dynamics of the transitions between the stable topologies identified for a straight cylindrical capillary. The break up of the interface could adversely affect system performance. OpenFOAM is used to compute transitions from a stable droplet to a plug or the reverse by suitably adding or removing the obstructing phase through inlet patches on the wall of the cylinder. The main parameters presented are the non-dimensional energy, non-dimensional transition times, non-dimensional transition volumes and the general dynamics of the transitions itself. Before computing transitions the static equilibrium topologies computed by OpenFOAM are compared with those predicted by Surface Evolver and are found to be within acceptable deviations. The grid dependence of these transitions has also been studied. Transitions are computed for contact angles in the range of 10° to 170°. Different modes of transitions are observed depending on the contact angle of the case for both the types of transitions. The transition volumes are compared to the volume of existence limits for the corresponding initial topology at a particular contact angle for both the transitions.

13. Energy states and energy flow near the transition states of unimolecular reactions

SciTech Connect

Moore, C.B. |

1994-10-01

The use of lasers with jet-cooled samples has improved energy and angular momentum resolution for the reactant and time resolution for the rate constant by orders of magnitude. The resolution of product quantum states has added a new dimension to unimolecular dynamics. In the past, the geometry, barrier height and vibrational frequencies of the transition state in RRKM theory were adjusted to fit thermal unimolecular reaction rate data. There have been successful quantitative tests of the ability of ab initio theory to calculate transition state geometries accurately and barrier heights to a few kJ/mol for simple molecules. Predicted frequencies tend to be somewhat too high for the softest modes which are of most importance in determining rates; however, the basic normal modes and sequence of frequencies seem to be correctly predicted. RRKM theory can be used with ab initio results to predict rate constants to within a factor of two or three and may be used for quantitative extrapolation to conditions not accessible in the laboratory but important in practical situations. Experiments on single molecular eigenstates have revealed quantum statistical fluctuations in rates which are predicted quantitatively in the appropriate extension of RRKM theory. Many experiments seeking to demonstrate non-statistical or non-RRKM dynamics have demonstrated the very wide range of applicability of the RRKM model. A few such experiments have demonstrated a lack of complete vibrational energy randomization in a reactant molecule. Dynamical theory has provided an exact quantum analog to RRKM theory which will combine with future experiments to define the extent to which quantized motion along the reaction coordinate and coupling between the reaction coordinate and vibrational degrees of freedom at the transition state are important. 42 refs., 11 figs.

14. Space Environments and Effects Concept: Transitioning Research to Operations and Applications

NASA Technical Reports Server (NTRS)

Edwards, David L.; Spann, James; Burns, Howard D.; Schumacher, Dan

2012-01-01

The National Aeronautics and Space Administration (NASA) is embarking on a course to expand human presence beyond Low Earth Orbit (LEO) while expanding its mission to explore the solar system. Destinations such as Near Earth Asteroids (NEA), Mars and its moons, and the outer planets are but a few of the mission targets. NASA has established numerous offices specializing in specific space environments disciplines that will serve to enable these missions. To complement these existing discipline offices, a concept focusing on the development of space environment and effects application is presented. This includes space climate, space weather, and natural and induced space environments. This space environment and effects application is composed of 4 topic areas; characterization and modeling, engineering effects, prediction and operation, and mitigation and avoidance. These topic areas are briefly described below. Characterization and modeling of space environments will primarily focus on utilization during Program mission concept, planning, and design phases. Engineering effects includes materials testing and flight experiments producing data to be used in mission planning and design phases. Prediction and operation pulls data from existing sources into decision-making tools and empirical data sets to be used during the operational phase of a mission. Mitigation and avoidance will develop techniques and strategies used in the design and operations phases of the mission. The goal of this space environment and effects application is to develop decision-making tools and engineering products to support the mission phases of mission concept through operations by focusing on transitioning research to operations. Products generated by this space environments and effects application are suitable for use in anomaly investigations. This paper will outline the four topic areas, describe the need, and discuss an organizational structure for this space environments and effects

15. Bistability and State Transition of a Delay Differential Equation Model of Neutrophil Dynamics

Ma, Suqi; Zhu, Kaiyi; Lei, Jinzhi

This paper studies the existence of bistable states and control strategies to induce state transitions of a delay differential equation model of neutrophil dynamics. We seek the conditions that a stable steady state and an oscillatory state coexist in the neutrophil dynamical system. Physiologically, stable steady state represents the healthy state, while oscillatory state is usually associated with diseases such as cyclical neutropenia. We study the control strategies to induce the transitions from the disease state to the healthy state by introducing temporal perturbations to system parameters. This study is valuable in designing clinical protocols for the treatment of cyclical neutropenia.

16. Effect of Protuberance Shape and Orientation on Space Shuttle Orbiter Boundary-Layer Transition

NASA Technical Reports Server (NTRS)

King, RUdolph A.; Berry, Scott A.; Kegerise, Michael A.

2008-01-01

This document describes an experimental study conducted to examine the effects of protuberances on hypersonic boundary-layer transition. The experiment was conducted in the Langley 20-Inch Mach 6 Tunnel on a series of 0.9%-scale Shuttle Orbiter models. The data were acquired to complement the existing ground-based boundary-layer transition database that was used to develop Version 1.0 of the boundary-layer transition RTF (return-to-flight) tool. The existing ground-based data were all acquired on 0.75%-scale Orbiter models using diamond-shaped ( pizza-box ) trips. The larger model scale facilitated in manufacturing higher fidelity protuberances. The end use of this experimental database will be to develop a technical basis (in the form of a boundary-layer transition correlation) to assess representative protrusion shapes, e.g., gap fillers and protrusions resulting from possible tile repair concepts. The primary objective of this study is to investigate the effects of protuberance-trip location and geometry on Shuttle Orbiter boundary-layer transition. Secondary goals are to assess the effects of gap-filler orientation and other protrusion shapes on boundary-layer transition. Global heat-transfer images using phosphor thermography of the Orbiter windward surface and the corresponding streamwise and spanwise heating distributions were used to infer the state of the boundary layer, i.e., laminar, transitional, or turbulent.

17. Attention control learning in the decision space using state estimation

2016-05-01

The main goal of this paper is modelling attention while using it in efficient path planning of mobile robots. The key challenge in concurrently aiming these two goals is how to make an optimal, or near-optimal, decision in spite of time and processing power limitations, which inherently exist in a typical multi-sensor real-world robotic application. To efficiently recognise the environment under these two limitations, attention of an intelligent agent is controlled by employing the reinforcement learning framework. We propose an estimation method using estimated mixture-of-experts task and attention learning in perceptual space. An agent learns how to employ its sensory resources, and when to stop observing, by estimating its perceptual space. In this paper, static estimation of the state space in a learning task problem, which is examined in the WebotsTM simulator, is performed. Simulation results show that a robot learns how to achieve an optimal policy with a controlled cost by estimating the state space instead of continually updating sensory information.

18. 31 CFR 593.413 - Transshipment or transit through the United States prohibited.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 31 Money and Finance:Treasury 3 2013-07-01 2013-07-01 false Transshipment or transit through the... LIBERIAN REGIME OF CHARLES TAYLOR SANCTIONS REGULATIONS Interpretations § 593.413 Transshipment or transit... apply to the importation into the United States, for transshipment or transit to third countries, of...

19. 31 CFR 545.404 - Transshipment or transit through the United States prohibited.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 31 Money and Finance: Treasury 3 2010-07-01 2010-07-01 false Transshipment or transit through the... (AFGHANISTAN) SANCTIONS REGULATIONS Interpretations § 545.404 Transshipment or transit through the United... the importation into the United States, for transshipment or transit, of foreign goods which...

20. 31 CFR 593.413 - Transshipment or transit through the United States prohibited.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 31 Money and Finance:Treasury 3 2012-07-01 2012-07-01 false Transshipment or transit through the... LIBERIAN REGIME OF CHARLES TAYLOR SANCTIONS REGULATIONS Interpretations § 593.413 Transshipment or transit... apply to the importation into the United States, for transshipment or transit to third countries, of...

1. 31 CFR 593.413 - Transshipment or transit through the United States prohibited.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 31 Money and Finance: Treasury 3 2010-07-01 2010-07-01 false Transshipment or transit through the... LIBERIAN REGIME OF CHARLES TAYLOR SANCTIONS REGULATIONS Interpretations § 593.413 Transshipment or transit... apply to the importation into the United States, for transshipment or transit to third countries, of...

2. Advanced Solid State Lighting for AES Deep Space Hab Project

NASA Technical Reports Server (NTRS)

Holbert, Eirik

2015-01-01

The advanced Solid State Lighting (SSL) assemblies augmented 2nd generation modules under development for the Advanced Exploration Systems Deep Space Habitat in using color therapy to synchronize crew circadian rhythms. Current RGB LED technology does not produce sufficient brightness to adequately address general lighting in addition to color therapy. The intent is to address both through a mix of white and RGB LEDs designing for fully addressable alertness/relaxation levels as well as more dramatic circadian shifts.

3. Solid-state Terahertz Sources for Space Applications

NASA Technical Reports Server (NTRS)

Maiwald, Frank; Pearson, John C.; Ward, John S.; Schlecht, Erich; Chattopadhyay, Goutam; Gill, John J.; Ferber, R.; Tsang, Raymond; Lin, Robert H.; Peralta, Alejandro; Finamore, B.; Chun, William W.; Baker, John J.; Dengler, Robert J.; Javadi, Hamid H.; Siegel, Peter H.; Mehdi, Imran

2004-01-01

This paper discusses the construction of solid-state frequency multiplier chains utilized far teraherz receiver applications such as the Herschel Space Observatory . Emphasis will he placed on the specific requirements to be met and challenges that were encountered. The availability of high power amplifiers at 100 GHz makes it possible to cascade frequency doublers and triplers with sufficient RF power to pump heterodyne receivers at THz frequencies. The environmental and mechanical constraints will be addressed as well as reliability issues.

4. A combined method for determining reaction paths, minima, and transition state geometries

Ayala, Philippe Y.; Schlegel, H. Bernhard

1997-07-01

Mapping out a reaction mechanism involves optimizing the reactants and products, finding the transition state and following the reaction path connecting them. Transition states can be difficult to locate and reaction paths can be expensive to follow. We describe an efficient algorithm for determining the transition state, minima and reaction path in a single procedure. Starting with an approximate path represented by N points, the path is iteratively relaxed until one of the N points reached the transition state, the end points optimize to minima and the remaining points converged to a second order approximation of the steepest descent path. The method appears to be more reliable than conventional transition state optimization algorithms, and requires only energies and gradients, but not second derivative calculations. The procedure is illustrated by application to a number of model reactions. In most cases, the reaction mechanism can be described well using 5 to 7 points to represent the transition state, the minima and the path. The computational cost of relaxing the path is less than or comparable to the cost of standard techniques for finding the transition state and the minima, determining the transition vector and following the reaction path on both sides of the transition state.

5. State-space decoding of primary afferent neuron firing rates

Wagenaar, J. B.; Ventura, V.; Weber, D. J.

2011-02-01

Kinematic state feedback is important for neuroprostheses to generate stable and adaptive movements of an extremity. State information, represented in the firing rates of populations of primary afferent (PA) neurons, can be recorded at the level of the dorsal root ganglia (DRG). Previous work in cats showed the feasibility of using DRG recordings to predict the kinematic state of the hind limb using reverse regression. Although accurate decoding results were attained, reverse regression does not make efficient use of the information embedded in the firing rates of the neural population. In this paper, we present decoding results based on state-space modeling, and show that it is a more principled and more efficient method for decoding the firing rates in an ensemble of PA neurons. In particular, we show that we can extract confounded information from neurons that respond to multiple kinematic parameters, and that including velocity components in the firing rate models significantly increases the accuracy of the decoded trajectory. We show that, on average, state-space decoding is twice as efficient as reverse regression for decoding joint and endpoint kinematics.

6. Quantification of the Uncertainties for the Space Launch System Liftoff/Transition and Ascent Databases

NASA Technical Reports Server (NTRS)

Favaregh, Amber L.; Houlden, Heather P.; Pinier, Jeremy T.

2016-01-01

A detailed description of the uncertainty quantification process for the Space Launch System Block 1 vehicle configuration liftoff/transition and ascent 6-Degree-of-Freedom (DOF) aerodynamic databases is presented. These databases were constructed from wind tunnel test data acquired in the NASA Langley Research Center 14- by 22-Foot Subsonic Wind Tunnel and the Boeing Polysonic Wind Tunnel in St. Louis, MO, respectively. The major sources of error for these databases were experimental error and database modeling errors.

7. Modeling Bivariate Longitudinal Hormone Profiles by Hierarchical State Space Models

PubMed Central

Liu, Ziyue; Cappola, Anne R.; Crofford, Leslie J.; Guo, Wensheng

2013-01-01

The hypothalamic-pituitary-adrenal (HPA) axis is crucial in coping with stress and maintaining homeostasis. Hormones produced by the HPA axis exhibit both complex univariate longitudinal profiles and complex relationships among different hormones. Consequently, modeling these multivariate longitudinal hormone profiles is a challenging task. In this paper, we propose a bivariate hierarchical state space model, in which each hormone profile is modeled by a hierarchical state space model, with both population-average and subject-specific components. The bivariate model is constructed by concatenating the univariate models based on the hypothesized relationship. Because of the flexible framework of state space form, the resultant models not only can handle complex individual profiles, but also can incorporate complex relationships between two hormones, including both concurrent and feedback relationship. Estimation and inference are based on marginal likelihood and posterior means and variances. Computationally efficient Kalman filtering and smoothing algorithms are used for implementation. Application of the proposed method to a study of chronic fatigue syndrome and fibromyalgia reveals that the relationships between adrenocorticotropic hormone and cortisol in the patient group are weaker than in healthy controls. PMID:24729646

8. Component system identification and state-space model synthesis

Sjövall, Per; Abrahamsson, Thomas

2007-10-01

A scheme for synthesis of subsystem state-space models to be used for analysis of dynamic behaviour of built-up structures is presented. Using measurements on each component, subsystem models are identified adopting contemporary system identification methods. The subsystem state-space models are transformed into a coupling form, at which kinematic constraints and equilibrium conditions for the interfaces are introduced. The procedure is applied to a plane frame structure, which is built up of two components. It is found that the non-trivial model order determination constitutes a crucial step in the process. If the model order is incorrect at subsystem level, the synthesized model may radically fail to describe the properties of the built-up structure. It is also found that the identified subsystem models need to satisfy certain physically motivated constraints, e.g. reciprocity and passivity. Different approaches and methods to aid the model order determination and the estimation of physically consistent state-space models at subsystem level are discussed.

9. Molecular Dynamics Simulation on the Conformational Transition of the Mad2 Protein from the Open to the Closed State

PubMed Central

Li, Chaoqun; Zhu, Yanyan; Wang, Yan; Chen, Guangju

2014-01-01

The Mad2 protein, with two distinct conformations of open- and closed-states, is a key player in the spindle checkpoint. The closed Mad2 state is more active than the open one. We carried out conventional and targeted molecular dynamics simulations for the two stable Mad2 states and their conformational transition to address the dynamical transition mechanism from the open to the closed state. The intermediate structure in the transition process shows exposure of the β6 strand and an increase of space around the binding sites of β6 strand due to the unfolding of the β7/8 sheet and movement of the β6/4/5 sheet close to the αC helix. Therefore, Mad2 binding to the Cdc20 protein in the spindle checkpoint is made possible. The interconversion between these two states might facilitate the functional activity of the Mad2 protein. Motion correlation analysis revealed the allosteric network between the β1 strand and β7/8 sheet via communication of the β5-αC loop and the β6/4/5 sheet in this transition process. PMID:24690997

10. Transition between onion states and vortex states in exchange-coupled Ni-Fe/Mn-Ir asymmetric ring dots

Sasaki, Isao; Nakatani, Ryoichi; Endo, Yasushi; Kawamura, Yoshio; Yamamoto, Masahiko; Takenaga, Takashi; Aya, Sunao; Kuroiwa, Takeharu; Beysen, Sadeh; Kobayashi, Hiroshi

2006-04-01

The transition between onion states and vortex states in exchange-coupled Ni-Fe/Mn-Ir asymmetric ring dots has been investigated. A direction of domain wall motion, during the transition from the single-domain state to the vortex state via the onion state, depends on a sweep direction of an external field. This dependence fixes the directions of vortical magnetizations in the vortex states. The derivative of the amount of the domain wall motion with respect to the external field depends on the sweep direction of external field, and thus the hysteresis loop becomes asymmetric.

11. Space Monitoring Data Center at Moscow State University

Kalegaev, Vladimir; Bobrovnikov, Sergey; Barinova, Vera; Myagkova, Irina; Shugay, Yulia; Barinov, Oleg; Dolenko, Sergey; Mukhametdinova, Ludmila; Shiroky, Vladimir

Space monitoring data center of Moscow State University provides operational information on radiation state of the near-Earth space. Internet portal http://swx.sinp.msu.ru/ gives access to the actual data characterizing the level of solar activity, geomagnetic and radiation conditions in the magnetosphere and heliosphere in the real time mode. Operational data coming from space missions (ACE, GOES, ELECTRO-L1, Meteor-M1) at L1, LEO and GEO and from the Earth’s surface are used to represent geomagnetic and radiation state of near-Earth environment. On-line database of measurements is also maintained to allow quick comparison between current conditions and conditions experienced in the past. The models of space environment working in autonomous mode are used to generalize the information obtained from observations on the whole magnetosphere. Interactive applications and operational forecasting services are created on the base of these models. They automatically generate alerts on particle fluxes enhancements above the threshold values, both for SEP and relativistic electrons using data from LEO orbits. Special forecasting services give short-term forecast of SEP penetration to the Earth magnetosphere at low altitudes, as well as relativistic electron fluxes at GEO. Velocities of recurrent high speed solar wind streams on the Earth orbit are predicted with advance time of 3-4 days on the basis of automatic estimation of the coronal hole areas detected on the images of the Sun received from the SDO satellite. By means of neural network approach, Dst and Kp indices online forecasting 0.5-1.5 hours ahead, depending on solar wind and the interplanetary magnetic field, measured by ACE satellite, is carried out. Visualization system allows representing experimental and modeling data in 2D and 3D.

12. Solar Pumped High Power Solid State Laser for Space Applications

NASA Technical Reports Server (NTRS)

Fork, Richard L.; Laycock, Rustin L.; Green, Jason J. A.; Walker, Wesley W.; Cole, Spencer T.; Frederick, Kevin B.; Phillips, Dane J.

2004-01-01

Highly coherent laser light provides a nearly optimal means of transmitting power in space. The simplest most direct means of converting sunlight to coherent laser light is a solar pumped laser oscillator. A key need for broadly useful space solar power is a robust solid state laser oscillator capable of operating efficiently in near Earth space at output powers in the multi hundred kilowatt range. The principal challenges in realizing such solar pumped laser oscillators are: (1) the need to remove heat from the solid state laser material without introducing unacceptable thermal shock, thermal lensing, or thermal stress induced birefringence to a degree that improves on current removal rates by several orders of magnitude and (2) to introduce sunlight at an effective concentration (kW/sq cm of laser cross sectional area) that is several orders of magnitude higher than currently available while tolerating a pointing error of the spacecraft of several degrees. We discuss strategies for addressing these challenges. The need to remove the high densities of heat, e.g., 30 kW/cu cm, while keeping the thermal shock, thermal lensing and thermal stress induced birefringence loss sufficiently low is addressed in terms of a novel use of diamond integrated with the laser material, such as Ti:sapphire in a manner such that the waste heat is removed from the laser medium in an axial direction and in the diamond in a radial direction. We discuss means for concentrating sunlight to an effective areal density of the order of 30 kW/sq cm. The method integrates conventional imaging optics, non-imaging optics and nonlinear optics. In effect we use a method that combines some of the methods of optical pumping solid state materials and optical fiber, but also address laser media having areas sufficiently large, e.g., 1 cm diameter to handle the multi-hundred kilowatt level powers needed for space solar power.

13. Entropy, chaos, and excited-state quantum phase transitions in the Dicke model.

PubMed

Lóbez, C M; Relaño, A

2016-07-01

We study nonequilibrium processes in an isolated quantum system-the Dicke model-focusing on the role played by the transition from integrability to chaos and the presence of excited-state quantum phase transitions. We show that both diagonal and entanglement entropies are abruptly increased by the onset of chaos. Also, this increase ends in both cases just after the system crosses the critical energy of the excited-state quantum phase transition. The link between entropy production, the development of chaos, and the excited-state quantum phase transition is more clear for the entanglement entropy. PMID:27575109

14. 14 CFR 1217.106 - Articles brought into the United States by NASA from space.

Code of Federal Regulations, 2012 CFR

2012-01-01

... NASA from space. 1217.106 Section 1217.106 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION DUTY-FREE ENTRY OF SPACE ARTICLES § 1217.106 Articles brought into the United States by NASA from... territory of the United States by NASA from space shall not be considered an importation, and...

15. 14 CFR 1217.106 - Articles brought into the United States by NASA from space.

Code of Federal Regulations, 2010 CFR

2010-01-01

... NASA from space. 1217.106 Section 1217.106 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION DUTY-FREE ENTRY OF SPACE ARTICLES § 1217.106 Articles brought into the United States by NASA from... territory of the United States by NASA from space shall not be considered an importation, and...

16. 14 CFR § 1217.106 - Articles brought into the United States by NASA from space.

Code of Federal Regulations, 2014 CFR

2014-01-01

... NASA from space. Â§ 1217.106 Section Â§ 1217.106 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION DUTY-FREE ENTRY OF SPACE ARTICLES § 1217.106 Articles brought into the United States by NASA from... territory of the United States by NASA from space shall not be considered an importation, and...

17. 14 CFR 1217.106 - Articles brought into the United States by NASA from space.

Code of Federal Regulations, 2013 CFR

2013-01-01

... NASA from space. 1217.106 Section 1217.106 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION DUTY-FREE ENTRY OF SPACE ARTICLES § 1217.106 Articles brought into the United States by NASA from... territory of the United States by NASA from space shall not be considered an importation, and...

18. Migration transition in small Northern and Eastern Caribbean states.

PubMed

Mcelroy, J L; De Albuquerque, K

1988-01-01

1 area of intra-Caribbean migration that has been overlooked is the "migration transition"--the transformation of rapidly modernizing societies from net labor exporters to net labor importers. This article assembles 8 case studies to 1) briefly present a spectrum of migration experiences in the Caribbean, 2) uncover some transitions under way, 3) pinpoint the forces that underlie the migration transition, and 4) point out some of the more important policy implications of labor migration reversals. The 8 island societies sampled for illustration purposes include 1) the Bahamas and the US Virgin Islands as post-migration transition societies (Zelinsky's advanced society), 2) the British Virgin Islands and the Cayman Islands as undergoing transition (Zelinsky's late transitional society), and 3) Anguilla, St. Kitts-Nevis, Turks and Caicos, and Montserrat as premigration transition societies (Zelinsky's early transitional society). Population data for the islands were derived primarily from the West Indian censuses and government statistics. These 8 historical sketches reveal certain commonalities. All are at various stages in a long-term economic restructuring to displace traditional staple crops with more income elastic, high value export services. In such societies, population growth and progress along the migration transition is an increasing function of this kind of successful export substitution. In addition, along the migration and economic transitions, such insular economies exhibit a relatively large public sector (20-30% of all activity), declining unemployment, increasing fiscal autonomy, and are committed to a development strategy remarkably similar to the "successful" model of the Bahamas and the US Virgin Islands. Cursory evidence suggests that, because of intersectoral competition for land and labor, there is an inverse relationship between farm effort/manufacturing employment and tourism intensity. This review suggests that small islands undergoing

19. Stability of multifinger action in different state spaces

PubMed Central

2014-01-01

We investigated stability of action by a multifinger system with three methods: analysis of intertrial variance, application of transient perturbations, and analysis of the system's motion in different state spaces. The “inverse piano” device was used to apply transient (lifting-and-lowering) perturbations to individual fingers during single- and two-finger accurate force production tasks. In each trial, the perturbation was applied either to a finger explicitly involved in the task or one that was not. We hypothesized that, in one-finger tasks, task-specific stability would be observed in the redundant space of finger forces but not in the nonredundant space of finger modes (commands to explicitly involved fingers). In two-finger tasks, we expected that perturbations applied to a nontask finger would not contribute to task-specific stability in mode space. In contrast to our expectations, analyses in both force and mode spaces showed lower stability in directions that did not change total force output compared with directions that did cause changes in total force. In addition, the transient perturbations led to a significant increase in the enslaving index. We consider these results within a theoretical scheme of control with referent body configurations organized hierarchically, using multiple few-to-many mappings organized in a synergic way. The observed volatility of enslaving, greater equifinality of total force compared with elemental variables, and large magnitude of motor equivalent motion in both force and mode spaces provide support for the concept of task-specific stability of performance and the existence of multiple neural loops, which ensure this stability. PMID:25253478

20. On the Space-Time and State-Space Geometries of Random Processes in Geometric Quantum Mechanics

SciTech Connect

Rapoport, Diego L.

2007-02-21

We present the space-time and Hilbert-state space quantum geometries and their associated Brownian motions. We discuss the problem of the reduction of the wave function associated to these geometries and their Brownian motions.

1. Ab initio calculations of forbidden transition amplitudes and lifetimes of the low-lying states in V{sup 4+}

SciTech Connect

Dixit, Gopal; Majumder, Sonjoy; Sahoo, Bijaya K.; Chaudhuri, Rajat K.

2007-10-15

We report electric quadrupole (E2) and magnetic dipole (M1) transition amplitudes of the first few low-lying states of quadruply ionized vanadium (V{sup 4+}), which are important in various experimental applications and astrophysics. To our knowledge, most of these presented results are determined for the first time in the literature. A relativistic multireference Fock-space coupled-cluster theory with single (S), double (D), and partial triple (T) excitations is employed to compute the forbidden transition probabilities and lifetimes of the low-lying states in V{sup 4+}. Estimations of different correlation effects arising through the above formalism have been highlighted by investigating core and valence electron excitations. A long lifetime is found for the first excited 3d {sup 2}D{sub 5/2} state, which suggests that V{sup 4+} may be one of the useful candidates for many important studies.

2. State Efforts to Meet the Early Childhood Transition Requirements of IDEA. inForum

ERIC Educational Resources Information Center

Muller, Eve; Whaley, Kathy; Rous, Beth

2009-01-01

In March 2008, the National Early Childhood Transition Initiative released a document developed collaboratively over several months titled "Designing and Implementing Effective Early Childhood Transition Processes". The document was created as a resource for improving state and local performance on the State Performance Plans (SPP) and Annual…

3. 19 CFR 123.42 - Truck shipments transiting the United States.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 19 Customs Duties 1 2010-04-01 2010-04-01 false Truck shipments transiting the United States. 123.42 Section 123.42 Customs Duties U.S. CUSTOMS AND BORDER PROTECTION, DEPARTMENT OF HOMELAND SECURITY; DEPARTMENT OF THE TREASURY CUSTOMS RELATIONS WITH CANADA AND MEXICO United States and Canada In-Transit...

4. State Efforts to Meet the Early Childhood Transition Requirements of IDEA. inForum

ERIC Educational Resources Information Center

Muller, Eve; Whaley, Kathy; Rous, Beth

2009-01-01

In March 2008, the National Early Childhood Transition Initiative released a document developed collaboratively over several months titled "Designing and Implementing Effective Early Childhood Transition Processes". The document was created as a resource for improving state and local performance on the State Performance Plans (SPP) and…

5. What can one learn from experiments about the elusive transition state?

PubMed Central

Chang, Iksoo; Cieplak, Marek; Banavar, Jayanth R.; Maritan, Amos

2004-01-01

We present the results of an exact analysis of a model energy landscape of a protein to clarify the idea of the transition state and the physical meaning of the φ values determined in protein engineering experiments. We benchmark our findings to various theoretical approaches proposed in the literature for the identification and characterization of the transition state. PMID:15295118

6. 19 CFR 123.42 - Truck shipments transiting the United States.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 19 Customs Duties 1 2011-04-01 2011-04-01 false Truck shipments transiting the United States. 123.42 Section 123.42 Customs Duties U.S. CUSTOMS AND BORDER PROTECTION, DEPARTMENT OF HOMELAND SECURITY; DEPARTMENT OF THE TREASURY CBP RELATIONS WITH CANADA AND MEXICO United States and Canada In-Transit...

7. Youth and Administrator Perspectives on Transition in Kentucky's State Agency Schools

ERIC Educational Resources Information Center

Marshall, Amy; Powell, Norman; Pierce, Doris; Nolan, Ronnie; Fehringer, Elaine

2012-01-01

Students, a large percentage with disabilities, are at high risk for poor post-secondary outcomes in state agency education programs. This mixed-methods study describes the understandings of student transitions in state agency education programs from the perspectives of youth and administrators. Results indicated that: transition is more narrowly…

8. Digital soil mapping as a tool for quantifying state-and-transition models

Technology Transfer Automated Retrieval System (TEKTRAN)

Ecological sites and associated state-and-transition models (STMs) are rapidly becoming important land management tools in rangeland systems in the US and around the world. Descriptions of states and transitions are largely developed from expert knowledge and generally accepted species and community...

9. Utilizing a Russian space nuclear reactor for a United States space mission: Systems integration issues

SciTech Connect

Reynolds, E.; Schaefer, E.; Polansky, G.; Lacy, J.; Bocharov, A.

1993-09-30

The Nuclear Electric Propulsion Space Test Program (NEPSTP) has developed a cooperative relationship with several institutes of the former Soviet Union to evaluate Russian space hardware on a US spacecraft One component is the Topaz II Nuclear Power System; a built and flight qualified nuclear reactor that has yet to be tested in space. The access to the Topaz II reactor provides the NEPSTP with a rare opportunity; to conduct an early flight demonstration of nuclear electric propulsion at a relatively low cost. This opportunity, however, is not without challenges. Topaz II was designed to be compatible with Russian spacecraft and launch vehicles. It was manufactured and flight qualified by Russian techniques and standards and conforms to safety requirements of the former Soviet Union, not the United States. As it is desired to make minimal modifications to the Topaz II, integrating the reactor system with a United States spacecraft and launch vehicle presents an engineering challenge. This paper documents the lessons teamed regarding the integration of reactor based spacecraft and also some insight about integrating Russian hardware. It examines the planned integration flow along with specific reactor requirements that affect the spacecraft integration including American-Russian space system compatibility.

10. Catch and Release: Orbital Symmetry Guided Reaction Dynamics from a Freed "Tension Trapped Transition State".

PubMed

Wang, Junpeng; Ong, Mitchell T; Kouznetsova, Tatiana B; Lenhardt, Jeremy M; Martínez, Todd J; Craig, Stephen L

2015-12-01

The dynamics of reactions at or in the immediate vicinity of transition states are critical to reaction rates and product distributions, but direct experimental probes of those dynamics are rare. Here, s-trans, s-trans 1,3-diradicaloid transition states are trapped by tension along the backbone of purely cis-substituted gem-difluorocyclopropanated polybutadiene using the extensional forces generated by pulsed sonication of dilute polymer solutions. Once released, the branching ratio between symmetry-allowed disrotatory ring closing (of which the trapped diradicaloid structure is the transition state) and symmetry-forbidden conrotatory ring closing (whose transition state is nearby) can be inferred. Net conrotatory ring closing occurred in 5.0 ± 0.5% of the released transition states, in excellent agreement with ab initio molecular dynamics simulations. PMID:26322681

11. On Volterra quadratic stochastic operators with continual state space

SciTech Connect

Ganikhodjaev, Nasir; Hamzah, Nur Zatul Akmar

2015-05-15

Let (X,F) be a measurable space, and S(X,F) be the set of all probability measures on (X,F) where X is a state space and F is σ - algebraon X. We consider a nonlinear transformation (quadratic stochastic operator) defined by (Vλ)(A) = ∫{sub X}∫{sub X}P(x,y,A)dλ(x)dλ(y), where P(x, y, A) is regarded as a function of two variables x and y with fixed A ∈ F . A quadratic stochastic operator V is called a regular, if for any initial measure the strong limit lim{sub n→∞} V{sup n }(λ) is exists. In this paper, we construct a family of quadratic stochastic operators defined on the segment X = [0,1] with Borel σ - algebra F on X , prove their regularity and show that the limit measure is a Dirac measure.

12. On Volterra quadratic stochastic operators with continual state space

Ganikhodjaev, Nasir; Hamzah, Nur Zatul Akmar

2015-05-01

Let (X,F) be a measurable space, and S(X,F) be the set of all probability measures on (X,F) where X is a state space and F is σ - algebraon X. We consider a nonlinear transformation (quadratic stochastic operator) defined by (V λ )(A ) = ∫X ∫X P (x ,y ,A )d λ (x )d λ (y ), where P(x, y, A) is regarded as a function of two variables x and y with fixed A ∈ F . A quadratic stochastic operator V is called a regular, if for any initial measure the strong limit lim n →∞ Vn(λ ) is exists. In this paper, we construct a family of quadratic stochastic operators defined on the segment X = [0,1] with Borel σ - algebra F on X , prove their regularity and show that the limit measure is a Dirac measure.

13. Expanding the applicability of electrostatic potentials to the realm of transition states.

PubMed

Bhasi, Priya; Nhlabatsi, Zanele P; Sitha, Sanyasi

2016-05-14

Central to any reaction mechanism study, and sometimes a challenging job, is tracing a transition state in a reaction path. For the first time, electrostatic potentials (ESP) of the reactants were used as guiding tactics to predict whether there is a possibility of any transition state in a reaction surface. The main motive behind this strategy is to see whether the directionality nature of the transition state has something to do with the anisotropic natures of the ESP with their embedded directionalities. Strategically, some atmospherically important, but simple, reactions have been chosen for this study, which heretofore were believed to be barrierless. By carefully analysing the ESP maps of the reactants, regions of possible interactions were located. Using the bilinear interpolation of the 2D grids of the ESP surfaces, search co-ordinates were fine-tuned for a local gradient based approach for the search of a transition state. Out of the three reactions studied in this work, we were able to successfully locate transition states, for the first time, in two cases and the third one still proved to be barrierless. This gives a clear indication that though ESP maps can qualitatively predict the possibility of a transition state; it is not always true that there should definitely be a transition state, as some of the reaction surfaces may genuinely be barrierless. But, nevertheless this strategy definitely has credential to be tested for many more reactions, either new or already established, and may be applied to create the initial search co-ordinates for any well-established transition state search method. Moreover, we have observed that the analysis of the ESP maps of the reactants were very much useful in explaining the nature of interactions existing in those observed transition states and we hope the same can also be extended to any transition state in an electrostatically driven reaction potential energy surface. PMID:27108668

14. A hierarchical state space approach to affective dynamics

PubMed Central

Lodewyckx, Tom; Tuerlinckx, Francis; Kuppens, Peter; Allen, Nicholas; Sheeber, Lisa

2010-01-01

Linear dynamical system theory is a broad theoretical framework that has been applied in various research areas such as engineering, econometrics and recently in psychology. It quantifies the relations between observed inputs and outputs that are connected through a set of latent state variables. State space models are used to investigate the dynamical properties of these latent quantities. These models are especially of interest in the study of emotion dynamics, with the system representing the evolving emotion components of an individual. However, for simultaneous modeling of individual and population differences, a hierarchical extension of the basic state space model is necessary. Therefore, we introduce a Bayesian hierarchical model with random effects for the system parameters. Further, we apply our model to data that were collected using the Oregon adolescent interaction task: 66 normal and 67 depressed adolescents engaged in a conflict interaction with their parents and second-to-second physiological and behavioral measures were obtained. System parameters in normal and depressed adolescents were compared, which led to interesting discussions in the light of findings in recent literature on the links between cardiovascular processes, emotion dynamics and depression. We illustrate that our approach is flexible and general: The model can be applied to any time series for multiple systems (where a system can represent any entity) and moreover, one is free to focus on whatever component of the versatile model. PMID:21516216

15. The Applied Meteorology Unit: Nineteen Years Successfully Transitioning Research into Operations for America's Space Program

NASA Technical Reports Server (NTRS)

Madura, John T.; Bauman, William H.; Merceret, Francis J.; Roeder, William P.; Brody, Frank C.; Hagemeyer, Bartlett C.

2010-01-01

The Applied Meteorology Unit (AMU) provides technology transition and technique development to improve operational weather support to the Space Shuttle and the entire American space program. The AMU is funded and managed by NASA and operated by a contractor that provides five meteorologists with a diverse mix of advanced degrees, operational experience, and associated skills including data processing, statistics, and the development of graphical user interfaces. The AMU's primary customers are the U.S. Air Force 45th Weather Squadron at Patrick Air Force Base, the National Weather Service Spaceflight Meteorology Group at NASA Johnson Space Center, and the National Weather Service Melbourne FL Forecast Office. The AMU has transitioned research into operations for nineteen years and worked on a wide range of topics, including new forecasting techniques for lightning probability, synoptic peak winds,.convective winds, and summer severe weather; satellite tools to predict anvil cloud trajectories and evaluate camera line of sight for Space Shuttle launch; optimized radar scan strategies; evaluated and implemented local numerical models; evaluated weather sensors; and many more. The AMU has completed 113 projects with 5 more scheduled to be completed by the end of 2010. During this rich history, the AMU and its customers have learned many lessons on how to effectively transition research into operations. Some of these lessons learned include collocating with the operational customer and periodically visiting geographically separated customers, operator submitted projects, consensus tasking process, use of operator primary advocates for each project, customer AMU liaisons with experience in both operations and research, flexibility in adapting the project plan based on lessons learned during the project, and incorporating training and other transition assistance into the project plans. Operator involvement has been critical to the AMU's remarkable success and many awards

16. Hubble Space Telescope STIS Optical Transit Transmission Spectra of the Hot Jupiter HD 209458b

Sing, David K.; Vidal-Madjar, A.; Désert, J.-M.; Lecavelier des Etangs, A.; Ballester, G.

2008-10-01

We present the transmission spectra of the hot Jupiter HD 209458b taken with the Space Telescope Imaging Spectrograph aboard the Hubble Space Telescope. Our analysis combines data at two resolutions and applies a complete pixel-by-pixel limb-darkening correction to fully reveal the spectral line shapes of atmospheric absorption features. Terrestrial-based Na I and H I contamination are identified that mask the strong exoplanetary absorption signature in the Na core, which we find reaches total absorption levels of ~0.11% in a 4.4 Å band. The Na spectral line profile is characterized by a wide absorption profile at the lowest absorption depths and a sharp transition to a narrow absorption profile at higher absorption values. The transmission spectra also show the presence of an additional absorber at ~6250 Å, observed at both medium and low resolutions. We performed various limb-darkening tests, including using high-precision limb-darkening measurements of the Sun to characterize a general trend of ATLAS models to slightly overestimate the amount of limb darkening at all wavelengths, likely due to the limitations of the model's one-dimensional nature. We conclude that, despite these limitations, ATLAS models can still successfully model limb darkening in high signal-to-noise ratio transits of solar-type stars, like HD 209458, to a high level of precision over the entire optical regime (3000-10000 Å) at transit phases between second and third contact.

17. Employment Outcomes of Transition-Aged Adults with Autism Spectrum Disorders: A State of the States Report

ERIC Educational Resources Information Center

Burgess, Sloane; Cimera, Robert E.

2014-01-01

The primary purpose of this study was to evaluate the employment outcomes of transition-aged adults with autism spectrum disorders (ASD) served by vocational rehabilitation services (VR) over the last 10 years by state. A secondary purpose was to compare employment outcomes of individuals with ASD to those of the overall transition-aged population…

18. Distortional binding of transition state analogs to human purine nucleoside phosphorylase probed by magic angle spinning solid-state NMR.

PubMed

Vetticatt, Mathew J; Itin, Boris; Evans, Gary B; Schramm, Vern L

2013-10-01

Transition state analogs mimic the geometry and electronics of the transition state of enzymatic reactions. These molecules bind to the active site of the enzyme much tighter than substrate and are powerful noncovalent inhibitors. Immucillin-H (ImmH) and 4'-deaza-1'-aza-2'-deoxy-9-methylene Immucillin-H (DADMe-ImmH) are picomolar inhibitors of human purine nucleoside phosphorylase (hPNP). Although both molecules are electronically similar to the oxocarbenium-like dissociative hPNP transition state, DADMe-ImmH is more potent than ImmH. DADMe-ImmH captures more of the transition state binding energy by virtue of being a closer geometric match to the hPNP transition state than ImmH. A consequence of these similarities is that the active site of hPNP exerts greater distortional forces on ImmH than on DADMe-ImmH to "achieve" the hPNP transition state geometry. By using magic angle spinning solid-state NMR to investigate stable isotope-labeled ImmH and DADMe-ImmH, we have explored the difference in distortional binding of these two inhibitors to hPNP. High-precision determinations of internuclear distances from NMR recoupling techniques, rotational echo double resonance, and rotational resonance, have provided unprecedented atomistic insight into the geometric changes that occur upon binding of transition state analogs. We conclude that hPNP stabilizes conformations of these chemically distinct analogs having distances between the cation and leaving groups resembling those of the known transition state. PMID:24043827

19. Space Environments and Spacecraft Effects Concept: Transitioning Research to Operations and Applications

NASA Technical Reports Server (NTRS)

Edwards, D. L.; Burns, H. D.; Clinton, R. G.; Schumacher, D.; Spann, J. F.

2012-01-01

support function also includes working in coordination with the program in anomaly resolution and generation of lesson learned documentation. The goal of this space environment and spacecraft effects organization is to develop decision-making tools and engineering products to support the mission phases of mission concept through operations by focusing on transitioning research to application. Products generated by this space environments and spacecraft effects organization are suitable for use in anomaly investigations. This paper will describe the organizational structure for this space environments and spacecraft effects organization, and outline the scope of conceptual TWG's and their relationship to the functional areas.

20. Hybrid phase transition into an absorbing state: Percolation and avalanches.

PubMed

Lee, Deokjae; Choi, S; Stippinger, M; Kertész, J; Kahng, B

2016-04-01

Interdependent networks are more fragile under random attacks than simplex networks, because interlayer dependencies lead to cascading failures and finally to a sudden collapse. This is a hybrid phase transition (HPT), meaning that at the transition point the order parameter has a jump but there are also critical phenomena related to it. Here we study these phenomena on the Erdős-Rényi and the two-dimensional interdependent networks and show that the hybrid percolation transition exhibits two kinds of critical behaviors: divergence of the fluctuations of the order parameter and power-law size distribution of finite avalanches at a transition point. At the transition point global or "infinite" avalanches occur, while the finite ones have a power law size distribution; thus the avalanche statistics also has the nature of a HPT. The exponent β_{m} of the order parameter is 1/2 under general conditions, while the value of the exponent γ_{m} characterizing the fluctuations of the order parameter depends on the system. The critical behavior of the finite avalanches can be described by another set of exponents, β_{a} and γ_{a}. These two critical behaviors are coupled by a scaling law: 1-β_{m}=γ_{a}. PMID:27176256

1. Hybrid phase transition into an absorbing state: Percolation and avalanches

Lee, Deokjae; Choi, S.; Stippinger, M.; Kertész, J.; Kahng, B.

2016-04-01

Interdependent networks are more fragile under random attacks than simplex networks, because interlayer dependencies lead to cascading failures and finally to a sudden collapse. This is a hybrid phase transition (HPT), meaning that at the transition point the order parameter has a jump but there are also critical phenomena related to it. Here we study these phenomena on the Erdős-Rényi and the two-dimensional interdependent networks and show that the hybrid percolation transition exhibits two kinds of critical behaviors: divergence of the fluctuations of the order parameter and power-law size distribution of finite avalanches at a transition point. At the transition point global or "infinite" avalanches occur, while the finite ones have a power law size distribution; thus the avalanche statistics also has the nature of a HPT. The exponent βm of the order parameter is 1 /2 under general conditions, while the value of the exponent γm characterizing the fluctuations of the order parameter depends on the system. The critical behavior of the finite avalanches can be described by another set of exponents, βa and γa. These two critical behaviors are coupled by a scaling law: 1 -βm=γa .

2. United States manned observations of earth before the Space Shuttle

NASA Technical Reports Server (NTRS)

Amsbury, David L.

1989-01-01

From the beginning of manned United States spaceflight, astronauts viewed earth with intense interest, and photographed as many scenes as possible to record their experience for those who can only participate vicariously. Training in earth sciences and photography became more formal, and more thorough, from Mercury through Gemini to Skylab and Apollo-Soyuz. Equipment became bulkier, heavier, and more capable as the manned program matured and larger spacecraft were possible. And some scientists learned to interact with observers in orbit. The result is a legacy of some 35,000 pre-Space Shuttle publicly-available photographs, showing the lands, oceans, and atmosphere of earth from an unusual perspective.

3. Continuity of states between the cholesteric → line hexatic transition and the condensation transition in DNA solutions

Yasar, Selcuk; Podgornik, Rudolf; Valle-Orero, Jessica; Johnson, Mark R.; Parsegian, V. Adrian

2014-11-01

A new method of finely temperature-tuning osmotic pressure allows one to identify the cholesteric --> line hexatic transition of oriented or unoriented long-fragment DNA bundles in monovalent salt solutions as first order, with a small but finite volume discontinuity. This transition is similar to the osmotic pressure-induced expanded --> condensed DNA transition in polyvalent salt solutions at small enough polyvalent salt concentrations. Therefore there exists a continuity of states between the two. This finding, together with the corresponding empirical equation of state, effectively relates the phase diagram of DNA solutions for monovalent salts to that for polyvalent salts and sheds some light on the complicated interactions between DNA molecules at high densities.

4. Continuity of states between the cholesteric → line hexatic transition and the condensation transition in DNA solutions

PubMed Central

Yasar, Selcuk; Podgornik, Rudolf; Valle-Orero, Jessica; Johnson, Mark R.; Parsegian, V. Adrian

2014-01-01

A new method of finely temperature-tuning osmotic pressure allows one to identify the cholesteric → line hexatic transition of oriented or unoriented long-fragment DNA bundles in monovalent salt solutions as first order, with a small but finite volume discontinuity. This transition is similar to the osmotic pressure-induced expanded → condensed DNA transition in polyvalent salt solutions at small enough polyvalent salt concentrations. Therefore there exists a continuity of states between the two. This finding, together with the corresponding empirical equation of state, effectively relates the phase diagram of DNA solutions for monovalent salts to that for polyvalent salts and sheds some light on the complicated interactions between DNA molecules at high densities. PMID:25371012

5. Continuity of states between the cholesteric → line hexatic transition and the condensation transition in DNA solutions

DOE PAGESBeta

Yasar, Selcuk; Podgornik, Rudolf; Valle-Orero, Jessica; Johnson, Mark R.; Parsegian, V. Adrian

2014-11-05

A new method of finely temperature-tuning osmotic pressure allows one to identify the cholesteric → line hexatic transition of oriented or unoriented long-fragment DNA bundles in monovalent salt solutions as first order, with a small but finite volume discontinuity. This transition is similar to the osmotic pressure-induced expanded → condensed DNA transition in polyvalent salt solutions at small enough polyvalent salt concentrations. Therefore there exists a continuity of states between the two. This finding with the corresponding empirical equation of state, effectively relates the phase diagram of DNA solutions for monovalent salts to that for polyvalent salts and sheds somemore » light on the complicated interactions between DNA molecules at high densities.« less

6. Continuity of states between the cholesteric → line hexatic transition and the condensation transition in DNA solutions

SciTech Connect

Yasar, Selcuk; Podgornik, Rudolf; Valle-Orero, Jessica; Johnson, Mark R.; Parsegian, V. Adrian

2014-11-05

A new method of finely temperature-tuning osmotic pressure allows one to identify the cholesteric → line hexatic transition of oriented or unoriented long-fragment DNA bundles in monovalent salt solutions as first order, with a small but finite volume discontinuity. This transition is similar to the osmotic pressure-induced expanded → condensed DNA transition in polyvalent salt solutions at small enough polyvalent salt concentrations. Therefore there exists a continuity of states between the two. This finding with the corresponding empirical equation of state, effectively relates the phase diagram of DNA solutions for monovalent salts to that for polyvalent salts and sheds some light on the complicated interactions between DNA molecules at high densities.

7. Mediterranean space-time extremes of wind wave sea states

Barbariol, Francesco; Carniel, Sandro; Sclavo, Mauro; Marcello Falcieri, Francesco; Bonaldo, Davide; Bergamasco, Andrea; Benetazzo, Alvise

2014-05-01

Traditionally, wind wave sea states during storms have been observed, modeled, and predicted mostly in the time domain, i.e. at a fixed point. In fact, the standard statistical models used in ocean waves analysis rely on the implicit assumption of long-crested waves. Nevertheless, waves in storms are mainly short-crested. Hence, spatio-temporal features of the wave field are crucial to accurately model the sea state characteristics and to provide reliable predictions, particurly of wave extremes. Indeed, the experimental evidence provided by novel instrumentations, e.g. WASS (Wave Acquisition Stereo System), showed that the maximum sea surface elevation gathered in time over an area, i.e. the space-time extreme, is larger than that one measured in time at a point, i.e. the time extreme. Recently, stochastic models used to estimate maxima of multidimensional Gaussian random fields have been applied to ocean waves statistics. These models are based either on Piterbarg's theorem or Adler and Taylor's Euler Characteristics approach. Besides a probability of exceedance of a certain threshold, they can provide the expected space-time extreme of a sea state, as long as space-time wave features (i.e. some parameters of the directional variance density spectrum) are known. These models have been recently validated against WASS observation from fixed and moving platforms. In this context, our focus was modeling and predicting extremes of wind waves during storms. Thus, to intensively gather space-time extremes data over the Mediterranean region, we used directional spectra provided by the numerical wave model SWAN (Simulating WAves Nearshore). Therefore, we set up a 6x6 km2 resolution grid entailing most of the Mediterranean Sea and we forced it with COSMO-I7 high resolution (7x7 km2) hourly wind fields, within 2007-2013 period. To obtain the space-time features, i.e. the spectral parameters, at each grid node and over the 6 simulated years, we developed a modified version

8. Transition state dynamics of N2O4⇌2NO2 in liquid state

Katō, Toshiko

2004-06-01

Transition state dynamics of dissociation and association reactions N2O4⇌2NO2 in liquid state are studied by classical molecular dynamics simulations of reactive liquid NO2 at 298 K. An OSPP+LJ potential between NO2 molecules proposed in paper I [J. Chem. Phys. 115, 10852 (2001)], which takes into account the orientational sensitivity of the chemical bond, has been used in the simulation. The trajectory and energy evolution of various reactions are studied in the OSPP+LJ liquid, which reproduces both the observed liquid phase equilibrium constant and Raman band shape of the dissociation mode. It is found that a NO2 pair in reactive liquid NO2 is bound when ET<0 and dissociates when ET>0, and the dissociation of a reactant pair occurs when the transition state (TS) surface of ET=0 is crossed from negative to positive, where ET is the sum of the potential and kinetic energies of intermolecular motion of the pair. Two types of dissociation are found depending on the source of energy for dissociation; the first type D is the dissociation via collisional activation of the reactive mode by solvent molecules, and the second type T is the dissociation via bond transfer from a dimer to a monomer NO2 through the TS of NO2 trimer. It is concluded that the type T dissociation is found to be much more probable than the type D dissociation because of easy energy conservation. The reactant experiences the TS of NO2 trimer for a long time (1-10 ps) in NO2 mediated bond transfer reactions, and crossing and recrossing trajectories and dynamics in the TS neighborhood are studied.

9. Office of Biological and Physical Research: Overview Transitioning to the Vision for Space Exploration

NASA Technical Reports Server (NTRS)

Crouch, Roger

2004-01-01

Viewgraphs on NASA's transition to its vision for space exploration is presented. The topics include: 1) Strategic Directives Guiding the Human Support Technology Program; 2) Progressive Capabilities; 3) A Journey to Inspire, Innovate, and Discover; 4) Risk Mitigation Status Technology Readiness Level (TRL) and Countermeasures Readiness Level (CRL); 5) Biological And Physical Research Enterprise Aligning With The Vision For U.S. Space Exploration; 6) Critical Path Roadmap Reference Missions; 7) Rating Risks; 8) Current Critical Path Roadmap (Draft) Rating Risks: Human Health; 9) Current Critical Path Roadmap (Draft) Rating Risks: System Performance/Efficiency; 10) Biological And Physical Research Enterprise Efforts to Align With Vision For U.S. Space Exploration; 11) Aligning with the Vision: Exploration Research Areas of Emphasis; 12) Code U Efforts To Align With The Vision For U.S. Space Exploration; 13) Types of Critical Path Roadmap Risks; and 14) ISS Human Support Systems Research, Development, and Demonstration. A summary discussing the vision for U.S. space exploration is also provided.

10. Transition of vegetation states positively affects harvester ants in the Great Basin, United States

USGS Publications Warehouse

Holbrook, Joseph D.; Pilliod, David; Arkle, Robert; Rachlow, Janet L.; Vierling, Kerri T.; Wiest, Michelle M.

2016-01-01

Invasions by non-native plants can alter ecosystems such that new ecological states are reached, but less is known about how these transitions influence animal populations. Sagebrush (Artemisia tridentata) ecosystems are experiencing state changes because of fire and invasion by exotic annual grasses. Our goal was to study the effects of these state changes on the Owyhee and western harvester ants (Pogonomyrmex salinusOlsen and P. occidentalis Cresson, respectively). We sampled 358 1-ha plots across the northern Great Basin, which captured unburned and burned conditions across 1 −≥31 years postfire. Our results indicated an immediate and consistent change in vegetation states from shrubland to grassland between 1 and 31 years postfire. Harvester ant occupancy was unrelated to time since fire, whereas we observed a positive effect of fire on nest density. Similarly, we discovered that fire and invasion by exotic annuals were weak predictors of harvester ant occupancy but strong predictors of nest density. Occupancy of harvester ants was more likely in areas with finer-textured soils, low precipitation, abundant native forbs, and low shrub cover. Nest density was higher in arid locations that recently burned and exhibited abundant exotic annual and perennial (exotic and native) grasses. Finally, we discovered that burned areas that received postfire restoration had minimal influence on harvester ant occupancy or nest density compared with burned and untreated areas. These results suggest that fire-induced state changes from native shrublands to grasslands dominated by non-native grasses have a positive effect on density of harvester ants (but not occupancy), and that postfire restoration does not appear to positively or negatively affect harvester ants. Although wildfire and invasion by exotic annual grasses may negatively affect other species, harvester ants may indeed be one of the few winners among a myriad of losers linked to vegetation state changes within

11. The spatial pattern of transition (spot): linking pattern, process, and scale to state-and-transition models

Technology Transfer Automated Retrieval System (TEKTRAN)

Field implementation of conceptual state-and-transition models will benefit from explicit representations of spatial patterns of vegetation, soils and topography and the hydrological/eolian processes that link them. Here, we introduce the concept "spatial pattern of transition” (SPOT) as a means to ...

12. Complex transitions between spike, burst or chaos synchronization states in coupled neurons with coexisting bursting patterns

Gu, Hua-Guang; Chen, Sheng-Gen; Li, Yu-Ye

2015-05-01

We investigated the synchronization dynamics of a coupled neuronal system composed of two identical Chay model neurons. The Chay model showed coexisting period-1 and period-2 bursting patterns as a parameter and initial values are varied. We simulated multiple periodic and chaotic bursting patterns with non-(NS), burst phase (BS), spike phase (SS), complete (CS), and lag synchronization states. When the coexisting behavior is near period-2 bursting, the transitions of synchronization states of the coupled system follows very complex transitions that begins with transitions between BS and SS, moves to transitions between CS and SS, and to CS. Most initial values lead to the CS state of period-2 bursting while only a few lead to the CS state of period-1 bursting. When the coexisting behavior is near period-1 bursting, the transitions begin with NS, move to transitions between SS and BS, to transitions between SS and CS, and then to CS. Most initial values lead to the CS state of period-1 bursting but a few lead to the CS state of period-2 bursting. The BS was identified as chaos synchronization. The patterns for NS and transitions between BS and SS are insensitive to initial values. The patterns for transitions between CS and SS and the CS state are sensitive to them. The number of spikes per burst of non-CS bursting increases with increasing coupling strength. These results not only reveal the initial value- and parameter-dependent synchronization transitions of coupled systems with coexisting behaviors, but also facilitate interpretation of various bursting patterns and synchronization transitions generated in the nervous system with weak coupling strength. Project supported by the National Natural Science Foundation of China (Grant Nos. 11372224 and 11402039) and the Fundamental Research Funds for Central Universities designated to Tongji University (Grant No. 1330219127).

13. Dynamical transitions in large systems of mean field-coupled Landau-Stuart oscillators: Extensive chaos and cluster states

SciTech Connect

Ku, Wai Lim; Girvan, Michelle; Ott, Edward

2015-12-15

In this paper, we study dynamical systems in which a large number N of identical Landau-Stuart oscillators are globally coupled via a mean-field. Previously, it has been observed that this type of system can exhibit a variety of different dynamical behaviors. These behaviors include time periodic cluster states in which each oscillator is in one of a small number of groups for which all oscillators in each group have the same state which is different from group to group, as well as a behavior in which all oscillators have different states and the macroscopic dynamics of the mean field is chaotic. We argue that this second type of behavior is “extensive” in the sense that the chaotic attractor in the full phase space of the system has a fractal dimension that scales linearly with N and that the number of positive Lyapunov exponents of the attractor also scales linearly with N. An important focus of this paper is the transition between cluster states and extensive chaos as the system is subjected to slow adiabatic parameter change. We observe discontinuous transitions between the cluster states (which correspond to low dimensional dynamics) and the extensively chaotic states. Furthermore, examining the cluster state, as the system approaches the discontinuous transition to extensive chaos, we find that the oscillator population distribution between the clusters continually evolves so that the cluster state is always marginally stable. This behavior is used to reveal the mechanism of the discontinuous transition. We also apply the Kaplan-Yorke formula to study the fractal structure of the extensively chaotic attractors.

14. Transition Moments between 1Deltag, 1Pig, and 1Piu States of the H2 Molecule

PubMed

Wolniewicz

1996-12-01

Electronic transition moments are computed for dipole transitions between the C and D 1Piu, I and R 1Pig and J and S 1Deltag states of the hydrogen molecule for internuclear distances R in [1, 15] bohr. The character of the wavefunctions at large internuclear distances is investigated. It is shown that in the D and R states the asymptotic configurations are strongly mixed for R state has mixed character even at R = 40 bohr. PMID:8979997

15. Transitions.

ERIC Educational Resources Information Center

Nathanson, Jeanne H., Ed.

1993-01-01

This theme issue on transitions for individuals with disabilities contains nine papers discussing transition programs and issues. "Transition Issues for the 1990s," by Michael J. Ward and William D. Halloran, discusses self-determination, school responsibility for transition, continued educational engagement of at-risk students, and service…

16. Maximum efficiency of state-space models of nanoscale energy conversion devices

Einax, Mario; Nitzan, Abraham

2016-07-01

The performance of nano-scale energy conversion devices is studied in the framework of state-space models where a device is described by a graph comprising states and transitions between them represented by nodes and links, respectively. Particular segments of this network represent input (driving) and output processes whose properly chosen flux ratio provides the energy conversion efficiency. Simple cyclical graphs yield Carnot efficiency for the maximum conversion yield. We give general proof that opening a link that separate between the two driving segments always leads to reduced efficiency. We illustrate these general result with simple models of a thermoelectric nanodevice and an organic photovoltaic cell. In the latter an intersecting link of the above type corresponds to non-radiative carriers recombination and the reduced maximum efficiency is manifested as a smaller open-circuit voltage.

17. Active-Space Coupled-Cluster Study of Electronic States of Be₃

SciTech Connect

Kowalski, Karol; Hirata, So; Wloch, M W.; Piecuch, Piotr; Windus, Theresa L.

2005-08-15

An automated implementation of the active-space coupled-cluster (CC) and equation-of-motion (EOM) CC methods with all singles and doubles, and triples defined via active orbitals (CCSDt, EOMCCSDt) employing Tensor Contraction Engine (TCE), is reported. The TCE-generated CCSDt/ codes are parallel and applicable to closed-and open-shell references. The effectiveness of the new code in describing electronic quasi-degeneracies is illustrated by the CCSDt / EOMCCSDt) calculations for the challenging Be₃system, which is characterized by a large number of low-lying excited states dominated by two-electron transitions and significant high order correlation effects in the ground electronic state. Different strategies for defining triple excitation s within the CCSDt / EOMCCSDt) approach are discussed.

18. Maximum efficiency of state-space models of nanoscale energy conversion devices.

PubMed

Einax, Mario; Nitzan, Abraham

2016-07-01

The performance of nano-scale energy conversion devices is studied in the framework of state-space models where a device is described by a graph comprising states and transitions between them represented by nodes and links, respectively. Particular segments of this network represent input (driving) and output processes whose properly chosen flux ratio provides the energy conversion efficiency. Simple cyclical graphs yield Carnot efficiency for the maximum conversion yield. We give general proof that opening a link that separate between the two driving segments always leads to reduced efficiency. We illustrate these general result with simple models of a thermoelectric nanodevice and an organic photovoltaic cell. In the latter an intersecting link of the above type corresponds to non-radiative carriers recombination and the reduced maximum efficiency is manifested as a smaller open-circuit voltage. PMID:27394100

19. Vibrational energy transfer near a dissociative adsorption transition state: State-to-state study of HCl collisions at Au(111)

Geweke, Jan; Shirhatti, Pranav R.; Rahinov, Igor; Bartels, Christof; Wodtke, Alec M.

2016-08-01

In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translational energy of the incident HCl molecules in the range near the dissociation barrier. Specifically, we report absolute vibrational excitation probabilities for HCl(v = 0 → 1) and HCl(v = 1 → 2) scattering from clean Au(111) as a function of surface temperature and incidence translational energy. The HCl(v = 2 → 3) channel could not be observed—presumably due to the onset of dissociation. The excitation probabilities can be decomposed into adiabatic and nonadiabatic contributions. We find that both contributions strongly increase with incidence vibrational state by a factor of 24 and 9, respectively. This suggests that V-T as well as V-EHP coupling can be enhanced near the transition state for dissociative adsorption at a metal surface. We also show that previously reported HCl(v = 0 → 1) excitation probabilities [Q. Ran et al., Phys. Rev. Lett. 98, 237601 (2007)]—50 times smaller than those reported here—were influenced by erroneous assignment of spectroscopic lines used in the data analysis.

20. Vibrational energy transfer near a dissociative adsorption transition state: State-to-state study of HCl collisions at Au(111).

PubMed

Geweke, Jan; Shirhatti, Pranav R; Rahinov, Igor; Bartels, Christof; Wodtke, Alec M

2016-08-01

In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translational energy of the incident HCl molecules in the range near the dissociation barrier. Specifically, we report absolute vibrational excitation probabilities for HCl(v = 0 → 1) and HCl(v = 1 → 2) scattering from clean Au(111) as a function of surface temperature and incidence translational energy. The HCl(v = 2 → 3) channel could not be observed-presumably due to the onset of dissociation. The excitation probabilities can be decomposed into adiabatic and nonadiabatic contributions. We find that both contributions strongly increase with incidence vibrational state by a factor of 24 and 9, respectively. This suggests that V-T as well as V-EHP coupling can be enhanced near the transition state for dissociative adsorption at a metal surface. We also show that previously reported HCl(v = 0 → 1) excitation probabilities [Q. Ran et al., Phys. Rev. Lett. 98, 237601 (2007)]-50 times smaller than those reported here-were influenced by erroneous assignment of spectroscopic lines used in the data analysis. PMID:27497574

1. Distributed state-space generation of discrete-state stochastic models

NASA Technical Reports Server (NTRS)

Ciardo, Gianfranco; Gluckman, Joshua; Nicol, David

1995-01-01

High-level formalisms such as stochastic Petri nets can be used to model complex systems. Analysis of logical and numerical properties of these models of ten requires the generation and storage of the entire underlying state space. This imposes practical limitations on the types of systems which can be modeled. Because of the vast amount of memory consumed, we investigate distributed algorithms for the generation of state space graphs. The distributed construction allows us to take advantage of the combined memory readily available on a network of workstations. The key technical problem is to find effective methods for on-the-fly partitioning, so that the state space is evenly distributed among processors. In this paper we report on the implementation of a distributed state-space generator that may be linked to a number of existing system modeling tools. We discuss partitioning strategies in the context of Petri net models, and report on performance observed on a network of workstations, as well as on a distributed memory multi-computer.

2. Spinor Field at the Phase Transition Point of Reissner-Nordström de Sitter Space

Lyu, Yan; Zhang, Li-Qing; Zheng, Wei; Pan, Qing-Chao

2010-08-01

The radial parts of Dirac equation between the outer black hole horizon and the cosmological horizon are solved in Reissner-Nordström de Sitter (RNdS) space when it is at the phase transition point. We use an accurate polynomial approximation to approximate the modified tortoise coordinate hat{r}_{*} in order to get the inverse function r=r(hat{r}_{*}) and the potential V(hat{r}_{*}). Then we use a quantum mechanical method to solve the wave equation numerically. We consider two cases, one is when the two horizons are lying close to each other, the other is when the two horizons are widely separated.

3. A simple real space density functional theory of freezing, with implications for the glass transition

SciTech Connect

Stoessel, J.P.; Wolynes, P.G.

1989-01-01

With analogy to the ''highly accurate'' summation of cluster diagrams for hard sphere fluids a la Carnahan-Starling, we present a simple, real space free energy density functional for arbitrary potential systems, based on the generalization of the second virial coefficient to inhomogeneous systems which, when applied to hard sphere, soft-sphere, and Lennard-Jones freezing, yield melting characteristics in remarkable agreement with experiment. Implications for the liquid-glass transition in all three potential systems are also presented. 45 refs., 7 figs., 1 tab.

4. Space science public outreach at Louisiana State University

Guzik, T.; Babin, E.; Cooney, W.; Giammanco, J.; Hartman, D.; McNeil, R.; Slovak, M.; Stacy, J.

Over the last seven years the Astronomy / Astrophysics group in the Department of Physics and Astronomy of Louisiana State University has developed an exten- sive Space Science education and public outreach program. This program includes the local park district (the Recreation and Park Commission for the Parish of East Baton Rouge, BREC), the local amateur astronomer group (the Baton Rouge As- tronomical Society, BRAS), the Louisiana Arts and Science Museum (LASM), and Southern University (SU, part of the largest HBCU system in the nation). Our effort has directly led to the development of the Highland Road Park Observatory (HRPO, http://www.bro.lsu.edu/hrpo) that supports student astronomy training at LSU and SU, amateur observations and a public program for adults and children, establishment of a series of teacher professional development workshops in astronomy and physics, and the "Robots for Internet Experiences (ROBIE)" project (http://www.bro.lsu.edu/) where we have several instruments (e.g. HAM radio, radio telescope, optical tele- scopes) that can be controlled over the internet by students and teachers in the class- room along with associated lessons developed by a teacher group. In addition, this year the LASM, will be opening a new planetarium / space theater in downtown Baton Rouge, Louisiana. We are currently working to bring live views of the heavens from the HRPO telescope to audiences attending planetarium shows and will be working closely with planetarium staff to develop shows that highlight LSU astronomy / space science research. During the presentation we will provide some details about our in- dividual projects, the overall structure of our program, establishing community links and some of the lessons we learned along the way. Finally, we would like to acknowl- edge NASA, Louisiana State University, the Louisiana Systemic Initiatives Program and the Louisiana Technology Innovation Fund for their support.

5. Momentum-space structure of surface states in a topological semimetal with a nexus point of Dirac lines

Hyart, T.; Heikkilä, T. T.

2016-06-01

Three-dimensional topological semimetals come in different variants, either containing Weyl points or Dirac lines. Here we describe a more complicated momentum-space topological defect where several separate Dirac lines connect with each other, forming a momentum-space equivalent of the real-space nexus considered before for helium-3. Close to the nexus the Dirac lines exhibit a transition from type I to type II lines. We consider a general model of stacked honeycomb lattices with the symmetry of Bernal (AB) stacked graphite and show that the structural mirror symmetries in such systems protect the presence of the Dirac lines, and also naturally lead to the formation of the nexus. By the bulk-boundary correspondence of topological media, the presence of Dirac lines lead to the formation of drumhead surface states at the side surfaces of the system. We calculate the surface state spectrum, and especially illustrate the effect of the nexus on these states.

6. Semiclassical vibration-rotation transition probabilities for motion in molecular state averaged potentials.

NASA Technical Reports Server (NTRS)

Stallcop, J. R.

1971-01-01

Collision-induced vibration-rotation transition probabilities are calculated from a semiclassical three-dimensional model, in which the collision trajectory is determined by the classical motion in the interaction potential that is averaged over the molecular rotational state, and compared with those for which the motion is governed by a spherically averaged potential. For molecules that are in highly excited rotational states, thus dominating the vibrational relaxation rate at high temperature, it is found that the transition probability for rotational state averaging is smaller than that for spherical averaging. For typical collisions, the transition cross section is decreased by a factor of about 1.5 to 2.

7. Transition-state inhibitors of purine salvage and other prospective enzyme targets in malaria

PubMed Central

Ducati, Rodrigo G.; Namanja-Magliano, Hilda A.; Schramm, Vern L.

2013-01-01

Malaria is a leading cause of human death within the tropics. The gradual generation of drug resistance imposes an urgent need for the development of new and selective antimalarial agents. Kinetic isotope effects coupled to computational chemistry have provided the relevant details on geometry and charge of enzymatic transition states to facilitate the design of transition-state analogs. These features have been reproduced into chemically stable mimics through synthetic chemistry, generating inhibitors with dissociation constants in the pico- to femto-molar range. Transition-state analogs are expected to contribute to the control of malaria. PMID:23859211

8. Excited-state quantum phase transitions in the interacting boson model: Spectral characteristics of 0+ states and effective order parameter

Zhang, Yu; Zuo, Yan; Pan, Feng; Draayer, J. P.

2016-04-01

The spectral characteristics of the Lπ=0+ excited states in the interacting boson model are systematically investigated. It is found that various types of excited-state quantum phase transitions may widely occur in the model as functions of the excitation energy, which indicates that the phase diagram of the interacting boson model can be dynamically extended along the direction of the excitation energy. It has also been justified that the d -boson occupation probability ρ (E ) is qualified to be taken as the effective order parameter to identify these excited-state quantum phase transitions. In addition, the underlying relation between the excite-state quantum phase transition and the chaotic dynamics is also stated.

9. Reshaping the College Transition: States That Offer Early College Readiness Assessments and Transition Curricula

ERIC Educational Resources Information Center

Barnett, Elisabeth A.; Fay, Maggie P.; Bork, Rachel Hare; Weiss, Madeline Joy

2013-01-01

Early college readiness assessments as well as "transition" curricula designed to help high school students avoid remedial coursework upon arrival to college represent promising approaches to decrease the numbers of entering college students who are academically underprepared. Yet little is known about the availability of these…

10. Report to the Congress from The President of the United States. United States Aeronautics and Space Activities 1967.

ERIC Educational Resources Information Center

Johnson, Lyndon B.

This report extensively reviews the progress of the United States in space during 1967, the tenth year of the space age. The first chapter of the report summarizes the 1967 space activities; and each of the remaining 13 chapters is devoted to reviewing the space-related activities of a particular federal agency (13 agencies included). Appendices…

11. Configuration space Faddeev formalism: Λ + n + n bound state search

Suslov, Vladimir; Filikhin, Igor; Vlahovic, Branislav

2015-04-01

The HypHI Collaboration has recently reported the evidence for bound state of Λ + n + n system (Phys. Rev. C 88, 041001(R) (2013)). However, the theoretical analysis did not find Λ3n bound state (see, for instance, Phys. Lett. B 736, 93 (2014)). In the present work we will describe our attempt to construct a phenomenological three-body ΛNN force with the spin-isospin dependence that is attractive in the channel T=1, S=1/2. This dependence was tested to reproduce the value of ground state energy for Λ3H hypernuclei. The formalism of the configuration-space Faddeev equations is applied for Λ + n + n and Λ + n + p systems. As Λ + n interaction the s-wave potential simulating model NSC97f is used. This potential reproduces well the hyperon binding energy for Λ3H nuclei (J. Phys. G: 31, 389 (2005)). The details of the model and obtained results will be presented. This work is supported by the NSF (HRD-1345219) and NASA (NNX09AV07A).

12. Indoor-Outdoor Space; the Transitional Areas and Their Effect on Human Behavior. Exchange Bibliography No. 517.

ERIC Educational Resources Information Center

Bartholomew, Robert

This brief bibliography lists publications about the transitional areas between buildings or leading into or out of buildings. These spaces are usually public spaces, at least in urban areas, that perform functions influencing human behavior, including visual separation or connection, territorial definition, and control of traffic and climatic…

13. 31 CFR 560.406 - Transshipment or transit through United States prohibited.

Code of Federal Regulations, 2010 CFR

2010-07-01

... or transit, of Iranian-origin goods or goods owned or controlled by the Government of Iran which are... transit of foreign goods through the United States which are intended or destined for Iran or the Government of Iran, including entities owned or controlled by the Government of Iran....

14. 31 CFR 560.406 - Transshipment or transit through United States prohibited.

Code of Federal Regulations, 2011 CFR

2011-07-01

... or transit, of Iranian-origin goods or goods owned or controlled by the Government of Iran which are... transit of foreign goods through the United States which are intended or destined for Iran or the Government of Iran, including entities owned or controlled by the Government of Iran....

15. 31 CFR 560.406 - Transshipment or transit through United States prohibited.

Code of Federal Regulations, 2012 CFR

2012-07-01

... or transit, of Iranian-origin goods or goods owned or controlled by the Government of Iran which are... transit of foreign goods through the United States which are intended or destined for Iran or the Government of Iran, including entities owned or controlled by the Government of Iran....

16. Transitional Child Care: State Experiences and Emerging Policies under the Family Support Act.

ERIC Educational Resources Information Center

Ebb, Nancy; And Others

This guide is designed to provide information about transitional child care (TCC) program policies and operations and to offer recommendations to policymakers and advocates. Transitional child care is a new federal child care program that every state must implement by April 1, 1990. Established by the Family Support Act (FSA) of 1988, TCC is…

17. Vocational Rehabilitation Transition Outcomes of Youth with Disabilities from a Midwestern State

ERIC Educational Resources Information Center

Awsumb, Jessica M.; Balcazar, Fabricio E.; Alvarado, Francisco

2016-01-01

Purpose: To examine the outcomes (rehabilitated vs. nonrehabilitated) of youth with disabilities (ages 14-22 years) participating in the transition program from a midwestern state. Method: Five years of vocational rehabilitation transition data (N = 6,252) were analyzed to determine what demographic and system-level factors were related to…

18. Landau-Zener transition in quadratic nonlinear two-state systems

SciTech Connect

Ishkhanyan, A. M.

2010-05-15

A comprehensive theory of the Landau-Zener transition in quadratic nonlinear two-state systems is developed. A compact analytic formula involving elementary functions only is derived for the final transition probability. The formula provides a highly accurate approximation for the whole rage of the variation of the Landau-Zener parameter.

19. Data support for a state-and-transition model: What have we learned?

Technology Transfer Automated Retrieval System (TEKTRAN)

State-and-transition models (STMs) were conceived as a means to synthesize knowledge about alternative plant communities and the processes that lead to transitions among them for specific land areas. STMs that have been developed over the past decade have often been limited by 1) a lack of detail on...

20. Critical space-time networks and geometric phase transitions from frustrated edge antiferromagnetism.

PubMed

Trugenberger, Carlo A

2015-12-01

Recently I proposed a simple dynamical network model for discrete space-time that self-organizes as a graph with Hausdorff dimension d(H)=4. The model has a geometric quantum phase transition with disorder parameter (d(H)-d(s)), where d(s) is the spectral dimension of the dynamical graph. Self-organization in this network model is based on a competition between a ferromagnetic Ising model for vertices and an antiferromagnetic Ising model for edges. In this paper I solve a toy version of this model defined on a bipartite graph in the mean-field approximation. I show that the geometric phase transition corresponds exactly to the antiferromagnetic transition for edges, the dimensional disorder parameter of the former being mapped to the staggered magnetization order parameter of the latter. The model has a critical point with long-range correlations between edges, where a continuum random geometry can be defined, exactly as in Kazakov's famed 2D random lattice Ising model but now in any number of dimensions. PMID:26764755

1. MEASURING THE SOLAR RADIUS FROM SPACE DURING THE 2003 AND 2006 MERCURY TRANSITS

SciTech Connect

Emilio, M.; Kuhn, J. R.; Scholl, I. F.; Bush, R. I. E-mail: kuhn@ifa.hawaii.edu E-mail: rock@sun.stanford.edu

2012-05-10

The Michelson Doppler Imager (MDI) aboard the Solar and Heliospheric Observatory observed the transits of Mercury on 2003 May 7 and 2006 November 8. Contact times between Mercury and the solar limb have been used since the seventeenth century to derive the Sun's size but this is the first time that high-quality imagery from space, above the Earth's atmosphere, has been available. Unlike other measurements, this technique is largely independent of optical distortion. The true solar radius is still a matter of debate in the literature as measured differences of several tenths of an arcsecond (i.e., about 500 km) are apparent. This is due mainly to systematic errors from different instruments and observers since the claimed uncertainties for a single instrument are typically an order of magnitude smaller. From the MDI transit data we find the solar radius to be 960.''12 {+-} 0.''09 (696, 342 {+-} 65 km). This value is consistent between the transits and consistent between different MDI focus settings after accounting for systematic effects.

2. Critical space-time networks and geometric phase transitions from frustrated edge antiferromagnetism

Trugenberger, Carlo A.

2015-12-01

Recently I proposed a simple dynamical network model for discrete space-time that self-organizes as a graph with Hausdorff dimension dH=4 . The model has a geometric quantum phase transition with disorder parameter (dH-ds) , where ds is the spectral dimension of the dynamical graph. Self-organization in this network model is based on a competition between a ferromagnetic Ising model for vertices and an antiferromagnetic Ising model for edges. In this paper I solve a toy version of this model defined on a bipartite graph in the mean-field approximation. I show that the geometric phase transition corresponds exactly to the antiferromagnetic transition for edges, the dimensional disorder parameter of the former being mapped to the staggered magnetization order parameter of the latter. The model has a critical point with long-range correlations between edges, where a continuum random geometry can be defined, exactly as in Kazakov's famed 2D random lattice Ising model but now in any number of dimensions.

3. Rare transitions between metastable states in the stochastic Chaffee-Infante equation.

Rolland, Joran; Bouchet, Freddy; Simonnet, Eric

2015-04-01

We present a numerical and theoretical study of the transitions in the Stochastic one dimensional Chaffee-Infante equation. The one dimensional Chaffee-Infante equation, also know as the Ginzburg-Landau or Allen-Cahn equation in physics, is the prototype equation for bistability in extended systems. As such, it is the perfect model equation for the test of numerical or theoretical methods intended at investigating metastability in more complex stochastic partial differential equations ; typically those arising in oceanicl fluid dynamics. Among other examples, one can think of the alternance of meander paths of the Kuroshio current near Japan, or the switching of the thermohaline circulation in the north Atlantic ocean. The reactive trajectories, the realisations of the dynamics that actually evolve from one metastable state to the other, are the central events in such studies. The novelty and originality of our approach is the combination of theoretical approaches with a novel numerical method, Adaptive Multilevel Splitting (AMS), for the computation of the full distribution of reactive trajectories and all the properties of the rare transitions. AMS is a mutation selection/selection algorithm that uses N clones dynamics of the system of interest, and only requires N|ln(α)| iterations. Meanwhile several 1/α realisations are required for a direct numerical simulation (with α the probability of observing a transition). It thus becomes a very powerful method when the noise amplitude and therefore α goes to zero. We used the algorithm to compute the properties (escape probability, mean first passage time, average duration of reactive trajectories, number of fronts etc.) of the transition in the full parameter space (L,β) (with L the size of the system and β the inverse of the noise amplitude). There is an excelent quantitative agreement with the various theoretical approaches of the study of metastability. All of them are asymptotic and therefore concern only

4. Recognition of human activity characteristics based on state transitions modeling technique

Elangovan, Vinayak; Shirkhodaie, Amir

2012-06-01

Human Activity Discovery & Recognition (HADR) is a complex, diverse and challenging task but yet an active area of ongoing research in the Department of Defense. By detecting, tracking, and characterizing cohesive Human interactional activity patterns, potential threats can be identified which can significantly improve situation awareness, particularly, in Persistent Surveillance Systems (PSS). Understanding the nature of such dynamic activities, inevitably involves interpretation of a collection of spatiotemporally correlated activities with respect to a known context. In this paper, we present a State Transition model for recognizing the characteristics of human activities with a link to a prior contextbased ontology. Modeling the state transitions between successive evidential events determines the activities' temperament. The proposed state transition model poses six categories of state transitions including: Human state transitions of Object handling, Visibility, Entity-entity relation, Human Postures, Human Kinematics and Distance to Target. The proposed state transition model generates semantic annotations describing the human interactional activities via a technique called Casual Event State Inference (CESI). The proposed approach uses a low cost kinect depth camera for indoor and normal optical camera for outdoor monitoring activities. Experimental results are presented here to demonstrate the effectiveness and efficiency of the proposed technique.

5. Transitions.

ERIC Educational Resources Information Center

Field, David; And Others

1992-01-01

Includes four articles: "Career Aspirations" (Field); "Making the Transition to a New Curriculum" (Baker, Householder); "How about a 'Work to School' Transition?" (Glasberg); and "Technological Improvisation: Bringing CNC to Woodworking" (Charles, McDuffie). (SK)

6. Investigation of Space Based Solid State Coherent Lidar

NASA Technical Reports Server (NTRS)

Amzajerdian, Farzin

2002-01-01

This report describes the work performed over the period of October 1, 1997 through March 31, 2001. Under this contract, UAH/CAO participated in defining and designing the SPAce Readiness Coherent Lidar Experiment (SPARCLE) mission, and developed the instrument's optical subsystem. This work was performed in collaborative fashion with NASA/MSFC engineers at both UAH/CAO and NASA/MSFC facilities. Earlier work by the UAH/CAO had produced a preliminary top-level system design for the Shuttle lidar instrument meeting the proposed mission performance requirements and the Space Shuttle Hitchhiker canister volume constraints. The UAH/CAO system design efforts had concentrated on the optical and mechanical designs of the instrument. The instrument electronics were also addressed, and the major electronic components and their interfaces defined. The instrument design concept was mainly based on the state of the transmitter and local oscillator laser development at NASA Langley Research Center and Jet Propulsion Laboratory, and utilized several lidar-related technologies that were either developed or evaluated by the NASA/MSFC and UAH/CAO scientists. UAH/CAO has developed a comprehensive coherent lidar numerical model capable of analyzing the performance of different instrument and mission concepts. This model uses the instrument configuration, atmospheric conditions and current velocity estimation theory to provide prediction of instrument performance during different phases of operation. This model can also optimize the design parameters of the instrument.

7. Finite-time quantum-to-classical transition for a Schroedinger-cat state

SciTech Connect

Paavola, Janika; Hall, Michael J. W.; Paris, Matteo G. A.; Maniscalco, Sabrina

2011-07-15

The transition from quantum to classical, in the case of a quantum harmonic oscillator, is typically identified with the transition from a quantum superposition of macroscopically distinguishable states, such as the Schroedinger-cat state, into the corresponding statistical mixture. This transition is commonly characterized by the asymptotic loss of the interference term in the Wigner representation of the cat state. In this paper we show that the quantum-to-classical transition has different dynamical features depending on the measure for nonclassicality used. Measures based on an operatorial definition have well-defined physical meaning and allow a deeper understanding of the quantum-to-classical transition. Our analysis shows that, for most nonclassicality measures, the Schroedinger-cat state becomes classical after a finite time. Moreover, our results challenge the prevailing idea that more macroscopic states are more susceptible to decoherence in the sense that the transition from quantum to classical occurs faster. Since nonclassicality is a prerequisite for entanglement generation our results also bridge the gap between decoherence, which is lost only asymptotically, and entanglement, which may show a ''sudden death''. In fact, whereas the loss of coherences still remains asymptotic, we emphasize that the transition from quantum to classical can indeed occur at a finite time.

8. Robust Light State by Quantum Phase Transition in Non-Hermitian Optical Materials

Zhao, Han; Longhi, Stefano; Feng, Liang

2015-11-01

Robust light transport is the heart of optical information processing, leading to the search for robust light states by topological engineering of material properties. Here, it is shown that quantum phase transition, rather than topology, can be strategically exploited to design a novel robust light state. We consider an interface between parity-time (PT) symmetric media with different quantum phases and use complex Berry phase to reveal the associated quantum phase transition and topological nature. While the system possesses the same topological order within different quantum phases, phase transition from PT symmetry to PT breaking across the interface in the synthetic non-Hermitian metamaterial system facilitates novel interface states, which are robust against a variety of gain/loss perturbations and topological impurities and disorder. The discovery of the robust light state by quantum phase transition may promise fault-tolerant light transport in optical communications and computing.

9. Discontinuous phase transition in an annealed multi-state majority-vote model

Li, Guofeng; Chen, Hanshuang; Huang, Feng; Shen, Chuansheng

2016-07-01

In this paper, we generalize the original majority-vote (MV) model with noise from two states to arbitrary q states, where q is an integer no less than two. The main emphasis is paid to the comparison on the nature of phase transitions between the two-state MV (MV2) model and the three-state MV (MV3) model. By extensive Monte Carlo simulation and mean-field analysis, we find that the MV3 model undergoes a discontinuous order-disorder phase transition, in contrast to a continuous phase transition in the MV2 model. A central feature of such a discontinuous transition is a strong hysteresis behavior as noise intensity goes forward and backward. Within the hysteresis region, the disordered phase and ordered phase are coexisting.

10. Determining Transition State Geometries in Liquids Using 2D-IR

SciTech Connect

Harris, Charles; Cahoon, James F.; Sawyer, Karma R.; Schlegel, Jacob P.; Harris, Charles B.

2007-12-11

Many properties of chemical reactions are determined by the transition state connecting reactant and product, yet it is difficult to directly obtain any information about these short-lived structures in liquids. We show that two-dimensional infrared (2D-IR) spectroscopy can provide direct information about transition states by tracking the transformation of vibrational modes as a molecule crossed a transition state. We successfully monitored a simple chemical reaction, the fluxional rearrangement of Fe(CO)5, in which the exchange of axial and equatorial CO ligands causes an exchange of vibrational energy between the normal modes of the molecule. This energy transfer provides direct evidence regarding the time scale, transition state, and mechanism of the reaction.

11. 31 CFR 592.403 - Transshipment or transit through the United States.

Code of Federal Regulations, 2013 CFR

2013-07-01

... Finance (Continued) OFFICE OF FOREIGN ASSETS CONTROL, DEPARTMENT OF THE TREASURY ROUGH DIAMONDS CONTROL... transit, of any rough diamond intended or destined for any country other than the United States,...

12. 31 CFR 592.403 - Transshipment or transit through the United States.

Code of Federal Regulations, 2012 CFR

2012-07-01

... Finance (Continued) OFFICE OF FOREIGN ASSETS CONTROL, DEPARTMENT OF THE TREASURY ROUGH DIAMONDS CONTROL... transit, of any rough diamond intended or destined for any country other than the United States,...

13. 31 CFR 592.403 - Transshipment or transit through the United States.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Finance (Continued) OFFICE OF FOREIGN ASSETS CONTROL, DEPARTMENT OF THE TREASURY ROUGH DIAMONDS CONTROL... transit, of any rough diamond intended or destined for any country other than the United States,...

14. 31 CFR 592.403 - Transshipment or transit through the United States.

Code of Federal Regulations, 2011 CFR

2011-07-01

... Finance (Continued) OFFICE OF FOREIGN ASSETS CONTROL, DEPARTMENT OF THE TREASURY ROUGH DIAMONDS CONTROL... transit, of any rough diamond intended or destined for any country other than the United States,...

15. 31 CFR 592.403 - Transshipment or transit through the United States.

Code of Federal Regulations, 2014 CFR

2014-07-01

... Finance (Continued) OFFICE OF FOREIGN ASSETS CONTROL, DEPARTMENT OF THE TREASURY ROUGH DIAMONDS CONTROL... transit, of any rough diamond intended or destined for any country other than the United States,...

16. Thermoelectric signals of state transition in polycrystalline SmB6.

PubMed

Yue, Z J; Chen, Q J; Wang, X L

2016-09-01

Topological Kondo insulator SmB6 has attracted quite a lot of attention from the condensed matter physics community. A number of unique electronic properties, including low-temperature resistivity anomaly, 1D electronic transport and 2D Fermi surfaces have been observed in SmB6. Here, we report on thermoelectric transport properties of polycrystalline SmB6 over a broad temperature from 300 to 2 K. An anomalous transition in the temperature-dependent Seebeck coefficient S from S(T) [Formula: see text] T (-1) to S(T) [Formula: see text] T was observed around 12 K. Such a transition demonstrates a transition of conductivity from 3D metallic bulk states to 2D metallic surface states with insulating bulk states. Our results suggest that the thermotransport measurements could be used for the characterization of state transition in topological insulators. PMID:27365362

17. Thermoelectric signals of state transition in polycrystalline SmB6

Yue, Z. J.; Chen, Q. J.; Wang, X. L.

2016-09-01

Topological Kondo insulator SmB6 has attracted quite a lot of attention from the condensed matter physics community. A number of unique electronic properties, including low-temperature resistivity anomaly, 1D electronic transport and 2D Fermi surfaces have been observed in SmB6. Here, we report on thermoelectric transport properties of polycrystalline SmB6 over a broad temperature from 300 to 2 K. An anomalous transition in the temperature-dependent Seebeck coefficient S from S(T) \\propto T ‑1 to S(T) \\propto T was observed around 12 K. Such a transition demonstrates a transition of conductivity from 3D metallic bulk states to 2D metallic surface states with insulating bulk states. Our results suggest that the thermotransport measurements could be used for the characterization of state transition in topological insulators.

18. Theoretical study of the position of the transition state for unimolecular reactions: an entropy model

Zou, Jian-Wei; Chen, Wei-Chen; Kao, Che-Lun; Yu, Chin-Hui

2004-01-01

An entropy model that can be used to quantitatively estimate the position of the transition state for unimolecular reaction is presented. A series of 12 isomeric reactions have been investigated to validate this model. It has been shown that the position of the transition state predicted by the entropy model ( χS≠) is qualitatively consistent with the Hammond postulate (HP) except for the isomerizations of FSSF and CH 3SH. The inconsistency for these two reactions may be well ascribed to the dissociated character of their transition states that would lead to the entropy deviating from a normal unimolecular behavior. Comparisons of χS≠ values with other quantities characterizing the position of the transition state have also been made.

19. Robust Light State by Quantum Phase Transition in Non-Hermitian Optical Materials

PubMed Central

Zhao, Han; Longhi, Stefano; Feng, Liang

2015-01-01

Robust light transport is the heart of optical information processing, leading to the search for robust light states by topological engineering of material properties. Here, it is shown that quantum phase transition, rather than topology, can be strategically exploited to design a novel robust light state. We consider an interface between parity-time (PT) symmetric media with different quantum phases and use complex Berry phase to reveal the associated quantum phase transition and topological nature. While the system possesses the same topological order within different quantum phases, phase transition from PT symmetry to PT breaking across the interface in the synthetic non-Hermitian metamaterial system facilitates novel interface states, which are robust against a variety of gain/loss perturbations and topological impurities and disorder. The discovery of the robust light state by quantum phase transition may promise fault-tolerant light transport in optical communications and computing. PMID:26592765

20. Development of a Strategy for Transition for State Community College from a State Agency to an Independent College.

ERIC Educational Resources Information Center

Gould, Timothy D.

In preparation for a 1996 restructuring at State Community College, in Illinois, from a state agency to an independent community college, a project was undertaken to develop a strategic plan to guide the transition. Specifically, the project sought to determine the necessary elements of and functions and activities required by the plan,…

1. Rapid State Space Modeling Tool for Rectangular Wing Aeroservoelastic Studies

NASA Technical Reports Server (NTRS)

Suh, Peter M.; Conyers, Howard J.; Mavris, Dimitri N.

2014-01-01

This paper introduces a modeling and simulation tool for aeroservoelastic analysis of rectangular wings with trailing edge control surfaces. The inputs to the code are planform design parameters such as wing span, aspect ratio and number of control surfaces. A doublet lattice approach is taken to compute generalized forces. A rational function approximation is computed. The output, computed in a few seconds, is a state space aeroservoelastic model which can be used for analysis and control design. The tool is fully parameterized with default information so there is little required interaction with the model developer. Although, all parameters can be easily modified if desired.The focus of this paper is on tool presentation, verification and validation. This process is carried out in stages throughout the paper. The rational function approximation is verified against computed generalized forces for a plate model. A model composed of finite element plates is compared to a modal analysis from commercial software and an independently conducted experimental ground vibration test analysis. Aeroservoelastic analysis is the ultimate goal of this tool. Therefore the flutter speed and frequency for a clamped plate are computed using V-g and V-f analysis. The computational results are compared to a previously published computational analysis and wind tunnel results for the same structure. Finally a case study of a generic wing model with a single control surface is presented. Verification of the state space model is presented in comparison to V-g and V-f analysis. This also includes the analysis of the model in response to a 1-cos gust.

2. Rapid State Space Modeling Tool for Rectangular Wing Aeroservoelastic Studies

NASA Technical Reports Server (NTRS)

Suh, Peter M.; Conyers, Howard J.; Mavris, Dimitri N.

2015-01-01

This paper introduces a modeling and simulation tool for aeroservoelastic analysis of rectangular wings with trailing-edge control surfaces. The inputs to the code are planform design parameters such as wing span, aspect ratio, and number of control surfaces. Using this information, the generalized forces are computed using the doublet-lattice method. Using Roger's approximation, a rational function approximation is computed. The output, computed in a few seconds, is a state space aeroservoelastic model which can be used for analysis and control design. The tool is fully parameterized with default information so there is little required interaction with the model developer. All parameters can be easily modified if desired. The focus of this paper is on tool presentation, verification, and validation. These processes are carried out in stages throughout the paper. The rational function approximation is verified against computed generalized forces for a plate model. A model composed of finite element plates is compared to a modal analysis from commercial software and an independently conducted experimental ground vibration test analysis. Aeroservoelastic analysis is the ultimate goal of this tool, therefore, the flutter speed and frequency for a clamped plate are computed using damping-versus-velocity and frequency-versus-velocity analysis. The computational results are compared to a previously published computational analysis and wind-tunnel results for the same structure. A case study of a generic wing model with a single control surface is presented. Verification of the state space model is presented in comparison to damping-versus-velocity and frequency-versus-velocity analysis, including the analysis of the model in response to a 1-cos gust.

3. Rapid State Space Modeling Tool for Rectangular Wing Aeroservoelastic Studies

NASA Technical Reports Server (NTRS)

Suh, Peter M.; Conyers, Howard Jason; Mavris, Dimitri N.

2015-01-01

This report introduces a modeling and simulation tool for aeroservoelastic analysis of rectangular wings with trailing-edge control surfaces. The inputs to the code are planform design parameters such as wing span, aspect ratio, and number of control surfaces. Using this information, the generalized forces are computed using the doublet-lattice method. Using Roger's approximation, a rational function approximation is computed. The output, computed in a few seconds, is a state space aeroservoelastic model which can be used for analysis and control design. The tool is fully parameterized with default information so there is little required interaction with the model developer. All parameters can be easily modified if desired. The focus of this report is on tool presentation, verification, and validation. These processes are carried out in stages throughout the report. The rational function approximation is verified against computed generalized forces for a plate model. A model composed of finite element plates is compared to a modal analysis from commercial software and an independently conducted experimental ground vibration test analysis. Aeroservoelastic analysis is the ultimate goal of this tool, therefore, the flutter speed and frequency for a clamped plate are computed using damping-versus-velocity and frequency-versus-velocity analysis. The computational results are compared to a previously published computational analysis and wind-tunnel results for the same structure. A case study of a generic wing model with a single control surface is presented. Verification of the state space model is presented in comparison to damping-versus-velocity and frequency-versus-velocity analysis, including the analysis of the model in response to a 1-cos gust.

4. Evolution of the phonon density of states of LaCoO3 over the spin state transition

SciTech Connect

Golosova, N. O.; Kozlenko, D. P.; Kolesnikov, Alexander I; Kazimirov, V. Yu.; Smirnov, M. B.; Jirak, Z.; Savenko, B. N.

2011-01-01

The phonon spectra of LaCoO3 were studied by inelastic neutron scattering in the temperature range of 4 120 K. The DFT calculations of the lattice dynamics have been made for interpretation of the experimental data. The observed and calculated phonon frequencies were found to be in a reasonable agreement. The evolution of the phonon density of states over the spin state transition was analyzed. In the low-temperature range (T < 50 K), an increase in the energy of resolved breathing, stretching, and bending phonon modes was found, followed by their softening and broadening at higher temperatures due to the spin state transition and relevant orbital-phonon coupling.

5. Transition.

ERIC Educational Resources Information Center

Thompson, Sandy, Ed.; And Others

1990-01-01

This "feature issue" focuses on transition from school to adult life for persons with disabilities. Included are "success stories," brief program descriptions, and a list of resources. Individual articles include the following titles and authors: "Transition: An Energizing Concept" (Paul Bates); "Transition Issues for the 1990s" (William Halloran…

6. Neighboring Group Participation in the Transition State of Human Purine Nucleoside Phosphorylase

SciTech Connect

Murkin,A.; Birck, M.; Rinaldo-Matthis, A.; Shi, W.; Taylor, E.; Almo, S.; Schramm, V.

2007-01-01

The X-ray crystal structures of human purine nucleoside phosphorylase (PNP) with bound inosine or transition-state analogues show His{sup 257} within hydrogen bonding distance of the 5'-hydroxyl. The mutants His257Phe, His257Gly, and His257Asp exhibited greatly decreased affinity for Immucillin-H (ImmH), binding this mimic of an early transition state as much as 370-fold (K{sub m}/K{sub i}) less tightly than native PNP. In contrast, these mutants bound DADMe-ImmH, a mimic of a late transition state, nearly as well as the native enzyme. These results indicate that His{sup 257} serves an important role in the early stages of transition-state formation. Whereas mutation of His{sup 257} resulted in little variation in the PNP{center_dot}DADMe-ImmH{center_dot}SO{sub 4} structures, His257Phe{center_dot}ImmH{center_dot}PO{sub 4} showed distortion at the 5'-hydroxyl, indicating the importance of H-bonding in positioning this group during progression to the transition state. Binding isotope effect (BIE) and kinetic isotope effect (KIE) studies of the remote 5'-{sup 3}H for the arsenolysis of inosine with native PNP revealed a BIE of 1.5% and an unexpectedly large intrinsic KIE of 4.6%. This result is interpreted as a moderate electronic distortion toward the transition state in the Michaelis complex with continued development of a similar distortion at the transition state. The mutants His257Phe, His257Gly, and His257Asp altered the 5'-{sup 3}H intrinsic KIE to -3, -14, and 7%, respectively, while the BIEs contributed 2, 2, and -2%, respectively. These surprising results establish that forces in the Michaelis complex, reported by the BIEs, can be reversed or enhanced at the transition state.

7. Transition properties of low-lying states in atomic indium

SciTech Connect

Sahoo, B. K.; Das, B. P.

2011-07-15

We present here the results of our relativistic many-body calculations of various properties of the first six low-lying excited states of indium. The calculations were performed using the relativistic coupled-cluster method in the framework of the singles, doubles, and partial triples approximation. The lifetime of the [4p{sup 6}]5s{sup 2}5p{sub 3/2} state in this atom is determined. Our results could be used to shed light on the reliability of the lifetime measurements of the excited states of atomic indium that we have considered in the present work.

8. CHARACTERIZING THE ATMOSPHERES OF TRANSITING PLANETS WITH A DEDICATED SPACE TELESCOPE

SciTech Connect

Tessenyi, M.; Tinetti, G.; Swinyard, B.; Aylward, A.; Tennyson, J.; Ollivier, M.; Beaulieu, J. P.; Coude du Foresto, V.; Encrenaz, T.; Micela, G.; Ribas, I.; Swain, M. R.; Vasisht, G.; Deroo, P.; Sozzetti, A.

2012-02-10

Exoplanetary science is one of the fastest evolving fields of today's astronomical research, continuously yielding unexpected and surprising results. Ground-based planet-hunting surveys, together with dedicated space missions such as Kepler and CoRoT, are delivering an ever-increasing number of exoplanets, over 690, and ESA's Gaia mission will escalate the exoplanetary census into the several thousands. The next logical step is the characterization of these new worlds. What is their nature? Why are they as they are? Use of the Hubble Space Telescope and Spitzer Space Telescope to probe the atmospheres of transiting hot, gaseous exoplanets has opened perspectives unimaginable even just 10 years ago, demonstrating that it is indeed possible with current technology to address the ambitious goal of characterizing the atmospheres of these alien worlds. However, these successful measurements have also shown the difficulty of understanding the physics and chemistry of these exotic environments when having to rely on a limited number of observations performed on a handful of objects. To progress substantially in this field, a dedicated facility for exoplanet characterization, able to observe a statistically significant number of planets over time and a broad spectral range will be essential. Additionally, the instrument design (e.g., detector performances, photometric stability) will be tailored to optimize the extraction of the astrophysical signal. In this paper, we analyze the performance and tradeoffs of a 1.2/1.4 m space telescope for exoplanet transit spectroscopy from the visible to the mid-IR. We present the signal-to-noise ratio as a function of integration time and stellar magnitude/spectral type for the acquisition of spectra of planetary atmospheres for a variety of scenarios: hot, warm, and temperate planets orbiting stars ranging in spectral type from hot F- to cooler M-dwarfs. Our results include key examples of known planets (e.g., HD 189733b, GJ 436b, GJ

9. TRANSITION STATE FOR THE GAS-PHASE REACTION OF URANIUM HEXAFLUORIDE WITH WATER

SciTech Connect

Garrison, S; James Becnel, J

2008-03-18

Density Functional Theory and small-core, relativistic pseudopotentials were used to look for symmetric and asymmetric transitions states of the gas-phase hydrolysis reaction of uranium hexafluoride, UF{sub 6}, with water. At the B3LYP/6-31G(d,p)/SDD level, an asymmetric transition state leading to the formation of a uranium hydroxyl fluoride, U(OH)F{sub 5}, and hydrogen fluoride was found with an energy barrier of +77.3 kJ/mol and an enthalpy of reaction of +63.0 kJ/mol (both including zero-point energy corrections). Addition of diffuse functions to all atoms except uranium led to only minor changes in the structure and relative energies of the reacting complex and transition state. However, a significant change in the product complex structure was found, significantly reducing the enthalpy of reaction to +31.9 kJ/mol. Similar structures and values were found for PBE0 and MP2 calculations with this larger basis set, supporting the B3LYP results. No symmetric transition state leading to the direct formation of uranium oxide tetrafluoride, UOF{sub 4}, was found, indicating that the reaction under ambient conditions likely includes several more steps than the mechanisms commonly mentioned. The transition state presented here appears to be the first published transition state for the important gas-phase reaction of UF{sub 6} with water.

10. Transition state for the gas-phase reaction of uranium hexafluoride with water.

PubMed

Garrison, Stephen L; Becnel, James M

2008-06-19

Density functional theory and small-core, relativistic pseudopotentials were used to look for symmetric and asymmetric transition states of the gas-phase hydrolysis reaction of uranium hexafluoride, UF 6, with water. At the B3LYP/6-31G(d,p)/SDD level, an asymmetric transition state leading to the formation of a uranium hydroxyl fluoride, U(OH)F 5, and hydrogen fluoride was found with an energy barrier of +77.3 kJ/mol and an enthalpy of reaction of +63.0 kJ/mol (both including zero-point energy corrections). Addition of diffuse functions to all atoms except uranium led to only minor changes in the structures and relative energies of the reacting complex and transition state. However, a significant change in the structure of the product complex was found, significantly reducing the enthalpy of reaction to +31.9 kJ/mol. Similar structures and values were found for PBE0 and MP2 calculations with this larger basis set, supporting the B3LYP results. No symmetric transition state leading to the direct formation of uranium oxide tetrafluoride, UOF 4, was found, indicating that the reaction under ambient conditions likely includes several more steps than the mechanisms commonly mentioned. The transition state presented here appears to be the first published transition state for the important gas-phase reaction of UF 6 with water. PMID:18500792

11. Ratcheted molecular-dynamics simulations identify efficiently the transition state of protein folding

Tiana, Guido; Camilloni, Carlo

2012-12-01

The atomistic characterization of the transition state (TS) is a fundamental step to improve the understanding of the folding mechanism and the function of proteins. From a computational point of view, the identification of the conformations that build out the transition state is particularly cumbersome, mainly because of the large computational cost of generating a statistically sound set of folding trajectories. Here we show that a biasing algorithm, based on the physics of the ratchet-and-pawl, can be used to approximate efficiently the transition state. The basic idea is that the algorithmic ratchet exerts a force on the protein when it is climbing the free-energy barrier, while it is inactive when it is descending. The transition state can be identified as the point of the trajectory where the ratchet changes regime. Besides discussing this strategy in general terms, we test it within a protein model whose transition state can be studied independently by plain molecular dynamics simulations. Finally, we show its power in explicit-solvent simulations, obtaining and characterizing a set of transition-state conformations for Acyl-Coenzyme A-Binding Protein (ACBP) and Chymotrypsin Inhibitor 2 (CI2).

12. Walking Associated With Public Transit: Moving Toward Increased Physical Activity in the United States

PubMed Central

Banerjee, Shailendra N.; Dannenberg, Andrew L.; Wendel, Arthur M.

2013-01-01

Objectives. We assessed changes in transit-associated walking in the United States from 2001 to 2009 and documented their importance to public health. Methods. We examined transit walk times using the National Household Travel Survey, a telephone survey administered by the US Department of Transportation to examine travel behavior in the United States. Results. People are more likely to transit walk if they are from lower income households, are non-White, and live in large urban areas with access to rail systems. Transit walkers in large urban areas with a rail system were 72% more likely to transit walk 30 minutes or more per day than were those without a rail system. From 2001 to 2009, the estimated number of transit walkers rose from 7.5 million to 9.6 million (a 28% increase); those whose transit-associated walking time was 30 minutes or more increased from approximately 2.6 million to 3.4 million (a 31% increase). Conclusions. Transit walking contributes to meeting physical activity recommendations. Study results may contribute to transportation-related health impact assessment studies evaluating the impact of proposed transit systems on physical activity, potentially influencing transportation planning decisions. PMID:23327281

13. Transitional steady states of exchange dynamics between finite quantum systems.

PubMed

Jeon, Euijin; Yi, Juyeon; Kim, Yong Woon

2016-08-01

We examine energy and particle exchange between finite-sized quantum systems and find a new form of nonequilibrium state. The exchange rate undergoes stepwise evolution in time, and its magnitude and sign dramatically change according to system size differences. The origin lies in interference effects contributed by multiply scattered waves at system boundaries. Although such characteristics are utterly different from those of true steady state for infinite systems, Onsager's reciprocal relation remains universally valid. PMID:27627275

14. A d-person Differential Game with State Space Constraints

SciTech Connect

Ramasubramanian, S.

2007-12-15

We consider a network of d companies (insurance companies, for example) operating under a treaty to diversify risk. Internal and external borrowing are allowed to avert ruin of any member of the network. The amount borrowed to prevent ruin is viewed upon as control. Repayment of these loans entails a control cost in addition to the usual costs. Each company tries to minimize its repayment liability. This leads to a d -person differential game with state space constraints. If the companies are also in possible competition a Nash equilibrium is sought. Otherwise a utopian equilibrium is more appropriate. The corresponding systems of HJB equations and boundary conditions are derived. In the case of Nash equilibrium, the Hamiltonian can be discontinuous; there are d interlinked control problems with state constraints; each value function is a constrained viscosity solution to the appropriate discontinuous HJB equation. Uniqueness does not hold in general in this case. In the case of utopian equilibrium, each value function turns out to be the unique constrained viscosity solution to the appropriate HJB equation. Connection with Skorokhod problem is briefly discussed.

15. Optical Characterization of Deep-Space Object Rotation States

Hall, D.; Kervin, P.

2014-09-01

Analysis of time-series data can yield remarkably accurate estimates of the frequency of a satellites brightness modulations. These apparent or synodic frequencies can vary in time, differing from the actual rotation rate of the object by an amount that depends on the relative angular motion between the satellite, illuminator, and observer for reflected light measurements (or between the satellite and observer for thermal emission measurements). When detected with sufficient accuracy, such synodic frequency variations can be exploited to characterize an objects rotation state, using an analysis that does not require any a priori knowledge of the objects shape. For instance, this shape-independent analysis method can be used to derive spin-axis orientations and sidereal rotation rates for spinning objects. Remotely determining such rotation parameters can be useful in many circumstances, such as when performing anomaly resolution of satellites that have lost stabilization. Unfortunately, synodic variations cannot be detected by ground-based observers for many deep-space objects due to low rates of relative angular motion. This is especially true for objects in geosynchronous orbit. In these cases, deriving spin-axis orientations can be accomplished using a shape-dependent method that employs a model of the shape and reflectance characteristics of the object. Our analysis indicates that a simple cylinder model can often suffice to characterize rotation states for upper-stage rocket bodies.

16. Topological quantum phase transitions and edge states in spin-orbital coupled Fermi gases

PubMed Central

Zhou, Tao; Gao, Yi; Wang, Z. D.

2014-01-01

We study superconducting states in the presence of spin-orbital coupling and Zeeman field. It is found that a phase transition from a Fulde-Ferrell-Larkin-Ovchinnikov state to the topological superconducting state occurs upon increasing the spin-orbital coupling. The nature of this topological phase transition and its critical property are investigated numerically. Physical properties of the topological superconducting phase are also explored. Moreover, the local density of states is calculated, through which the topological feature may be tested experimentally. PMID:24918901

17. Spontaneous transition of a water droplet from the Wenzel state to the Cassie state: a molecular dynamics simulation study.

PubMed

Wang, Jiadao; Chen, Shuai; Chen, Darong

2015-11-11

It is widely accepted that the superhydrophobic state is attributed to the formation of the Cassie state. The Cassie state is mostly metastable, which can be turned into the Wenzel state. Therefore, the superhydrophobic state is generally considered to be unstable. In this study, the wetting behaviors of a water droplet on different pillar surfaces are simulated. The spontaneous transition from the Wenzel state to the Cassie state is achieved, which is significant for the stable existence of superhydrophobicity. The transition process is analyzed in detail and can be chronologically divided into two stages: the contact area decreases and the water droplet rises. Moreover, the transition mechanism is studied, which is due to the combined effect of the surrounding pillars and the central pillar. The surrounding pillars form a no-wetting gap under the droplet, and the central pillar forces the droplet to move upward. Furthermore, three parameters that may influence the transition are studied: the pillar height, the droplet size and the hollow size. PMID:26524012

18. Solid-state dimer method for calculating solid-solid phase transitions

SciTech Connect

Xiao, Penghao; Henkelman, Graeme; Sheppard, Daniel; Rogal, Jutta

2014-05-07

The dimer method is a minimum mode following algorithm for finding saddle points on a potential energy surface of atomic systems. Here, the dimer method is extended to include the cell degrees of freedom for periodic solid-state systems. Using this method, reaction pathways of solid-solid phase transitions can be determined without having to specify the final state structure or reaction mechanism. Example calculations include concerted phase transitions between CdSe polymorphs and a nucleation and growth mechanism for the A15 to BCC transition in Mo.

19. Exact transition probabilities in a 6-state Landau-Zener system with path interference

Sinitsyn, N. A.

2015-05-01

We identify a nontrivial multistate Landau-Zener (LZ) model for which transition probabilities between any pair of diabatic states can be determined analytically and exactly. In the semiclassical picture, this model features the possibility of interference of different trajectories that connect the same initial and final states. Hence, transition probabilities are generally not described by the incoherent successive application of the LZ formula. We discuss reasons for integrability of this system and provide numerical tests of the suggested expression for the transition probability matrix.

20. GBM Monitoring of Cyg X-1 During the Recent State Transitions

Case, Gary L., II; Baldridge, S.; Cherry, M.; Camero-Arranz, A.; Finger, M.; Chaplin, V.; Jenke, P.; Wilson-Hodge, C.

2011-09-01

Cygnus X-1 is a high-mass x-ray binary with a black hole compact object. It is normally extremely bright in hard x-rays and low energy gamma rays and resides in the canonical hard spectral state. In July 2010, however, Cyg X-1 made a transition to the soft state, with a rise in the soft x-ray flux and a decrease in the flux in the hard x-ray and low energy gamma-ray energy bands. It remained in the soft state until April 2011 when it made the transition back to the hard state. We have been using the Gamma-Ray Burst Monitor on Fermi to monitor the fluxes of a number of sources, including Cyg X-1, in the 8-1000 keV energy range using the Earth occultation technique. We present light curves showing the decrease in the hard x-ray and low energy gamma-ray energy range during the hard-to-soft state transition, the several broad flares observed in these higher energies during the soft state, and then the transition back to the hard state. We also present preliminary spectra based on GBM data for the initial hard state, the spectral evolution to the soft state, and the spectral evolution back to the hard state. The implication of these results on the physical processes responsible for the hard x-ray and low energy gamma-ray emission will be discussed.

1. Non-equilibrium phase transitions in the two-temperature Ising model with Kawasaki dynamics. Phase diagram from position space renormalization group transformation

Renklioglu, B.; Yalabik, M. C.

2012-12-01

Phase transitions of the two-finite temperature Ising model on a square lattice are investigated by using a position space renormalization group (PSRG) transformation. Different finite temperatures, T x and T y , and also different time-scale constants, α x and α y for spin exchanges in the x and y directions define the dynamics of the non-equilibrium system. The critical surface of the system is determined by RG flows as a function of these exchange parameters. The Onsager critical point (when the two temperatures are equal) and the critical temperature for the limit when the other temperature is infinite, previously studied by the Monte Carlo method, are obtained. In addition, two steady-state fixed points which correspond to the non-equilibrium phase transition are presented. These fixed points yield the different universality class properties of the non-equilibrium phase transitions.

2. Topological and unconventional magnetic states in transition metal oxides

Fiete, Gregory

In this talk I describe some recent work on unusual correlated phases that may be found in bulk transition metal oxides with strong spin-orbit coupling. I will focus on model Hamiltonian studies that are motivated by the pyrocholore iridates, though the correlated topological phases described may appear in a much broader class of materials. I will describe a variety of fractionalized topological phases protected by time-reversal and crystalline symmetries: The weak topological Mott insulator (WTMI), the TI* phase, and the topological crystalline Mott insulator (TCMI). If time permits, I will also discuss closely related heterostructures of pyrochlore iridates in a bilayer and trilayer film geometry. These quasi-two dimensional systems may exhibit a number of interesting topological and magnetic phases. This work is generously funded by the ARO, DARPA, and the NSF.

3. Primary transitions between the yrast superdeformed band and low-lying normal deformed states in {sup 194}Pb

SciTech Connect

Hauschild, K.; Bernstein, L.A.; Becker, J.A.

1996-12-31

The observation of one-step primary gamma-ray transitions directly linking the superdeformed (SD) states to the normal deformed (ND) low-lying states of known excitation energies (E{sub x}), spins and parities (J{sup {pi}}) is crucial to determining the E{sub x} and J{sup {pi}} of the SD states. With this knowledge one can begin to address some of the outstanding problems associated with SD nuclei, such as the identical band issue, and one can also place more stringent restrictions on theoretical calculations which predict SD states and their properties. Brinkman, et al., used the early implementation of the GAMMASPHERE spectrometer array (32 detectors) and proposed a single, candidate {gamma} ray linking the {sup 194}Pb yrast SD band to the low-lying ND states in {sup 194}Pb. Using 55 detectors in the GAMMASPHERE array Khoo, et al., observed multiple links between the yrast SD band in {sup 194}Hg and the low-lying level scheme and conclusively determined E{sub x} and J of the yrast SD states. Here the authors report on an experiment in which Gammasphere with 88 detectors was used and the E{sub x} and J{sup {pi}} values of the yrast SD states in {sup 194}Pb were uniquely determined. Twelve one-step linking transitions between the yrast SD band and low-lying states in {sup 194}Pb have been identified, including the transition proposed by Brinkman. These transitions have been placed in the level scheme of {sup 194}Pb using coincidence relationships and agreements between the energies of the primary transitions and the energy differences in level spacings. Furthermore, measurements of angular asymmetries have yielded the multipolarities of the primaries which have allowed J{sup {pi}} assignments of the {sup 194}Pb SD states to be unambiguously determined for the first time without a priori assumptions about the character of SD bands. A study performed in parallel to this work using the EUROGAM-II array reports similar, but somewhat less extensive, results.

4. Analyzing Tabular and State-Transition Requirements Specifications in PVS

NASA Technical Reports Server (NTRS)

Owre, Sam; Rushby, John; Shankar, Natarajan

1997-01-01

We describe PVS's capabilities for representing tabular specifications of the kind advocated by Parnas and others, and show how PVS's Type Correctness Conditions (TCCs) are used to ensure certain well-formedness properties. We then show how these and other capabilities of PVS can be used to represent the AND/OR tables of Leveson and the Decision Tables of Sherry, and we demonstrate how PVS's TCCs can expose and help isolate errors in the latter. We extend this approach to represent the mode transition tables of the Software Cost Reduction (SCR) method in an attractive manner. We show how PVS can check these tables for well-formedness, and how PVS's model checking capabilities can be used to verify invariants and reachability properties of SCR requirements specifications, and inclusion relations between the behaviors of different specifications. These examples demonstrate how several capabilities of the PVS language and verification system can be used in combination to provide customized support for specific methodologies for documenting and analyzing requirements. Because they use only the standard capabilities of PVS, users can adapt and extend these customizations to suit their own needs. Those developing dedicated tools for individual methodologies may find these constructions in PVS helpful for prototyping purposes, or as a useful adjunct to a dedicated tool when the capabilities of a full theorem prover are required. The examples also illustrate the power and utility of an integrated general-purpose system such as PVS. For example, there was no need to adapt or extend the PVS model checker to make it work with SCR specifications described using the PVS TABLE construct: the model checker is applicable to any transition relation, independently of the PVS language constructs used in its definition.

5. Two-color photoexcitation of Rydberg states via an electric quadrupole transition

SciTech Connect

Li Leping; Gu Quanli; Knee, J. L.; Wright, J. D.; DiSciacca, J. M.; Morgan, T. J.

2008-03-15

We report the observation of an electric quadrupole transition between the 4s{sup '}[1/2]{sub 0}{sup o} and 3d[3/2]{sub 2}{sup o} states in the spectrum of argon and use it in the first step of a scheme to excite Rydberg states. The initial identification of the transition is based on one-color, two-photon photoionization. A different experiment utilizing two-color, two-photon photoexcitation to Rydberg states confirms the identification. Despite the unavoidable background of one-color, two-photon photoionization, the latter experimental technique makes possible two-photon spectroscopy of Rydberg states using a resonant intermediate state populated by an electric quadrupole transition.

6. 2D dynamical arrest transition in a mixed nanoparticle-phospholipid layer studied in real and momentum spaces.

PubMed

Orsi, Davide; Guzmán, Eduardo; Liggieri, Libero; Ravera, Francesca; Ruta, Beatrice; Chushkin, Yuriy; Rimoldi, Tiziano; Cristofolini, Luigi

2015-01-01

We investigate the interfacial dynamics of a 2D self-organized mixed layer made of silica nanoparticles interacting with phospholipid (DPPC) monolayers at the air/water interface. This system has biological relevance, allowing investigation of toxicological effects of nanoparticles on model membranes and lung surfactants. It might also provide bio-inspired technological solutions, exploiting the self-organization of DPPC to produce a non-trivial 2D structuration of nanoparticles. The characterization of interfacial dynamics yields information on the effects of NPs on the mechanical properties, important to improve performances of systems such as colloidosomes, foams, creams. For this, we combine micro-tracking in real-space with measurement in momentum-space via x-ray photon-correlation spectroscopy and Digital Fourier Microscopy. Using these complementary techniques, we extend the spatial range of investigation beyond the limits of each one. We find a dynamical transition from Brownian diffusion to an arrested state driven by compression, characterized by intermittent rearrangements, compatible with a repulsive glass phase. The rearrangement and relaxation of the monolayer structure results dramatically hindered by the presence of NPs, which is relevant to explain some the mechanical features observed for the dynamic surface pressure response of these systems and which can be relevant for the respiratory physiology and for future drug-delivery composite systems. PMID:26658474

7. 2D dynamical arrest transition in a mixed nanoparticle-phospholipid layer studied in real and momentum spaces

PubMed Central

Orsi, Davide; Guzmán, Eduardo; Liggieri, Libero; Ravera, Francesca; Ruta, Beatrice; Chushkin, Yuriy; Rimoldi, Tiziano; Cristofolini, Luigi

2015-01-01

We investigate the interfacial dynamics of a 2D self-organized mixed layer made of silica nanoparticles interacting with phospholipid (DPPC) monolayers at the air/water interface. This system has biological relevance, allowing investigation of toxicological effects of nanoparticles on model membranes and lung surfactants. It might also provide bio-inspired technological solutions, exploiting the self-organization of DPPC to produce a non-trivial 2D structuration of nanoparticles. The characterization of interfacial dynamics yields information on the effects of NPs on the mechanical properties, important to improve performances of systems such as colloidosomes, foams, creams. For this, we combine micro-tracking in real-space with measurement in momentum-space via x-ray photon-correlation spectroscopy and Digital Fourier Microscopy. Using these complementary techniques, we extend the spatial range of investigation beyond the limits of each one. We find a dynamical transition from Brownian diffusion to an arrested state driven by compression, characterized by intermittent rearrangements, compatible with a repulsive glass phase. The rearrangement and relaxation of the monolayer structure results dramatically hindered by the presence of NPs, which is relevant to explain some the mechanical features observed for the dynamic surface pressure response of these systems and which can be relevant for the respiratory physiology and for future drug-delivery composite systems. PMID:26658474

8. 2D dynamical arrest transition in a mixed nanoparticle-phospholipid layer studied in real and momentum spaces

Orsi, Davide; Guzmán, Eduardo; Liggieri, Libero; Ravera, Francesca; Ruta, Beatrice; Chushkin, Yuriy; Rimoldi, Tiziano; Cristofolini, Luigi

2015-12-01

We investigate the interfacial dynamics of a 2D self-organized mixed layer made of silica nanoparticles interacting with phospholipid (DPPC) monolayers at the air/water interface. This system has biological relevance, allowing investigation of toxicological effects of nanoparticles on model membranes and lung surfactants. It might also provide bio-inspired technological solutions, exploiting the self-organization of DPPC to produce a non-trivial 2D structuration of nanoparticles. The characterization of interfacial dynamics yields information on the effects of NPs on the mechanical properties, important to improve performances of systems such as colloidosomes, foams, creams. For this, we combine micro-tracking in real-space with measurement in momentum-space via x-ray photon-correlation spectroscopy and Digital Fourier Microscopy. Using these complementary techniques, we extend the spatial range of investigation beyond the limits of each one. We find a dynamical transition from Brownian diffusion to an arrested state driven by compression, characterized by intermittent rearrangements, compatible with a repulsive glass phase. The rearrangement and relaxation of the monolayer structure results dramatically hindered by the presence of NPs, which is relevant to explain some the mechanical features observed for the dynamic surface pressure response of these systems and which can be relevant for the respiratory physiology and for future drug-delivery composite systems.

9. Dynamics of a first-order transition to an absorbing state.

PubMed

Néel, Baptiste; Rondini, Ignacio; Turzillo, Alex; Mujica, Nicolás; Soto, Rodrigo

2014-04-01

A granular system confined in a quasi-two-dimensional box that is vertically vibrated can transit to an absorbing state in which all particles bounce vertically in phase with the box, with no horizontal motion. In principle, this state can be reached for any density lower than the one corresponding to one complete monolayer, which is then the critical density. Below this critical value, the transition to the absorbing state is of first order, with long metastable periods, followed by rapid transitions driven by homogeneous nucleation. Molecular dynamics simulations and experiments show that there is a dramatic increase on the metastable times far below the critical density; in practice, it is impossible to observe spontaneous transitions close to the critical density. This peculiar feature is a consequence of the nonequilibrium nature of this first-order transition to the absorbing state. A Ginzburg-Landau model, with multiplicative noise, describes qualitatively the observed phenomena and explains the macroscopic size of the critical nuclei. The nuclei become of small size only close to a second critical point where the active phase becomes unstable via a saddle node bifurcation. It is only close to this second critical point that experiments and simulations can evidence spontaneous transitions to the absorbing state while the metastable times grow dramatically moving away from it. PMID:24827240

10. Transit Observations of Venus's Atmosphere in 2012 from Terrestrial and Space Telescopes as Exoplanet Analogs

Pasachoff, Jay M.; Schneider, G.; Babcock, B. A.; Lu, M.; Penn, M. J.; Jaeggli, S. A.; Galayda, E.; Reardon, K. P.; Widemann, T.; Tanga, P.; Ehrenreich, D.; Vidal-Madjar, A.; Nicholson, P. D.; Dantowitz, R.

2013-06-01

We extensively observed the 8 June 2012 transit of Venus from several sites on Earth; we provide this interim status report about this and about two subsequent ToVs observed from space. From Haleakala Obs., we observed the entire June transit over almost 7 h with a coronagraph of the Venus Twilight Experiment B filter) and with a RED Epic camera to compare with simultaneous data from ESA's Venus Express, to study the Cytherean mesosphere; from Kitt Peak, we have near-IR spectropolarimetry at 1.6 µm from the aureole and during the disk crossing that compare well with carbon dioxide spectral models; from Sac Peak/IBIS we have high-resolution imaging of the Cytherean aureole for 22 min, starting even before 1st contact; from Big Bear, we have high-resolution imaging of Venus's atmosphere and the black-drop effect through 2nd contact; and we had 8 other coronagraphs around the world. For the Sept 21 ToV as seen from Jupiter, we had 14 orbits of HST to use Jupiter's clouds as a reflecting surface to search for an 0.01% diminution in light and a differential drop that would result from Venus's atmosphere by observing in both IR/UV, for which we have 170 HST exposures. As of this writing, preliminary data reduction indicates that variations in Jovian clouds and the two periods of Jupiter's rotation will be too great to allow extraction of the transit signal. For the December 20 ToV as seen from Saturn, we had 22 hours of observing time with VIMS on Cassini, for which we are looking for a signal of the 10-hr transit in total solar irradiance and of Venus's atmosphere in IR as an exoplanet-transit analog. Our Maui & Sac Peak expedition was sponsored by National Geographic Society's Committee for Research and Exploration; HST data reduction by NASA: HST-GO-13067. Some of the funds for the carbon dioxide filter for Sac Peak provided by NASA through AAS's Small Research Grant Program. We thank Rob Ratkowski of Haleakala Amateur Astronomers; Rob Lucas, Aram Friedman, Eric

11. United States Changing Demographics - English/Spanish Space Education

Leon, R.

2002-01-01

Accordingly the United States Census Bureau, the ethnic group adding the largest number of people to the national population is the Hispanic exceeding 12 percent of the population and growing by almost 60 percent between 1990 and 2000. The status of the nation's educational system with respect to Hispanic students is perhaps one of the most influential issues facing the largest economy of the world. The low income, lack of language skills, highest drop-out rate in the nation, are some of the reasons why Hispanics are less likely to receive a university degree than any other ethical group. In short, the government requires to implement compensatory programs and bilingual education to ensure global leadership. Because of ongoing immigration, Spanish persists longer among Hispanics than it did among other immigrant groups. Spanish is the fourth most spoken language in the world after Mandarin, Hindustani and English. Although not all U.S. Hispanics speak Spanish, almost all U.S. Spanish speakers are Hispanics. This paper is intended to outline the challenging implementation of a bilingual education project affiliated to NASA Johnson Space Center encouraging greater academic success of Hispanics in engineering, math and science. The prospective project covers the overall role of space activities in the development of science and technology, socioeconomic issues and international cooperation. An existent JSC project is the starting stage to keep on developing an interactive video teleconference and web-media technology and produce stimulating learning products in English and Spanish for students and teachers across the nation and around the world.

12. A modified PATH algorithm rapidly generates transition states comparable to those found by other well established algorithms

PubMed Central

Chandrasekaran, Srinivas Niranj; Das, Jhuma; Dokholyan, Nikolay V.; Carter, Charles W.

2016-01-01

PATH rapidly computes a path and a transition state between crystal structures by minimizing the Onsager-Machlup action. It requires input parameters whose range of values can generate different transition-state structures that cannot be uniquely compared with those generated by other methods. We outline modifications to estimate these input parameters to circumvent these difficulties and validate the PATH transition states by showing consistency between transition-states derived by different algorithms for unrelated protein systems. Although functional protein conformational change trajectories are to a degree stochastic, they nonetheless pass through a well-defined transition state whose detailed structural properties can rapidly be identified using PATH. PMID:26958584

13. State High School Exit Exams: A Policy in Transition

ERIC Educational Resources Information Center

McIntosh, Shelby

2012-01-01

Since 2002, the Center on Education Policy (CEP) at The George Washington University, a national advocate for public education and improving public schools, has been studying state high school exit examinations--tests students must pass to receive a high school diploma. This year marks the 11th year CEP has reported on exit exams in order to help…

14. Qualitative differences between on-orbit and transition RCS control. [for Space Shuttle

NASA Technical Reports Server (NTRS)

Hattis, P. D.

1982-01-01

Two separate reaction control system (RCS) digital autopilots (DAPs) evolved from one original Space Shuttle orbital autopilot concept. A computer overload forced this evolution. Part of the overload problem was due to unique performance requirements imposed on the RCS controller during each of several different flight regimes. The two resultant RCS DAPs yield different effector responses because they rely on different sources of sensory input and they process data differently. This paper describes the evolution of the two RCS controllers and illustrates their behavioral differences. The transition autopilot, used in orbital insertion and deorbit, is sensitive to orbiter flexure due to its feedthrough character. The on-orbit autopilot is sensitive to transient rate control degradation from large disturbances due to feed-forward rate estimation. Simulation results and flight data are used to illustrate performance differences between the two autopilots under various conditions. These include computer failures where electronic stringing and procedural reconfiguration differences affect autopilot behavior.

15. Preliminary analysis for a Mach 8 crossflow transition experiment on the Pegasus (R) space booster

NASA Technical Reports Server (NTRS)

Gong, Leslie; Richards, W. Lance; Monaghan, Richard C.; Quinn, Robert D.

1993-01-01

A boundary-layer transition is proposed for a future flight mission of the air-launched Pegasus space booster. The flight experiment requires attaching a glove assembly to the wing of the first-stage booster. The glove design consists of a spring and hook attachment system which allows for thermal growth of a steel 4130 skin. The results from one- and two-dimensional thermal analyses of the initial design are presented. Results obtained from the thermal analysis using turbulent flow conditions showed a maximum temperature of approximately 305 C and a chordwise temperature gradient of less than 8.9 C/cm for the critical areas in the upper glove skin. The temperatures obtained from these thermal analyses are well within the required temperature limits of the glove.

16. Utilizing dynamic tensiometry to quantify contact angle hysteresis and wetting state transitions on nonwetting surfaces.

PubMed

Kleingartner, Justin A; Srinivasan, Siddarth; Mabry, Joseph M; Cohen, Robert E; McKinley, Gareth H

2013-11-01

Goniometric techniques traditionally quantify two parameters, the advancing and receding contact angles, that are useful for characterizing the wetting properties of a solid surface; however, dynamic tensiometry, which measures changes in the net force on a surface during the repeated immersion and emersion of a solid into a probe liquid, can provide further insight into the wetting properties of a surface. We detail a framework for analyzing tensiometric results that allows for the determination of wetting hysteresis, wetting state transitions, and characteristic topographical length scales on textured, nonwetting surfaces, in addition to the more traditional measurement of apparent advancing and receding contact angles. Fluorodecyl POSS, a low-surface-energy material, was blended with commercially available poly(methyl methacrylate) (PMMA) and then dip- or spray-coated onto glass substrates. These surfaces were probed with a variety of liquids to illustrate the effects of probe liquid surface tension, solid surface chemistry, and surface texture on the apparent contact angles and wetting hysteresis of nonwetting surfaces. Woven meshes were then used as model structured substrates to add a second, larger length scale for the surface texture. When immersed into a probe liquid, these spray-coated mesh surfaces can form a metastable, solid-liquid-air interface on the largest length scale of surface texture. The increasing hydrostatic pressure associated with progressively greater immersion depths disrupts this metastable, composite interface and forces penetration of the probe liquid into the mesh structure. This transition is marked by a sudden change in the wetting hysteresis, which can be systematically probed using spray-coated, woven meshes of varying wire radius and spacing. We also show that dynamic tensiometry can accurately and quantitatively characterize topographical length scales that are present on microtextured surfaces. PMID:24070378

17. A Bayesian state-space formulation of dynamic occupancy models.

PubMed

Royle, J Andrew; Kéry, Marc

2007-07-01

Species occurrence and its dynamic components, extinction and colonization probabilities, are focal quantities in biogeography and metapopulation biology, and for species conservation assessments. It has been increasingly appreciated that these parameters must be estimated separately from detection probability to avoid the biases induced by non-detection error. Hence, there is now considerable theoretical and practical interest in dynamic occupancy models that contain explicit representations of metapopulation dynamics such as extinction, colonization, and turnover as well as growth rates. We describe a hierarchical parameterization of these models that is analogous to the state-space formulation of models in time series, where the model is represented by two components, one for the partially observable occupancy process and another for the observations conditional on that process. This parameterization naturally allows estimation of all parameters of the conventional approach to occupancy models, but in addition, yields great flexibility and extensibility, e.g., to modeling heterogeneity or latent structure in model parameters. We also highlight the important distinction between population and finite sample inference; the latter yields much more precise estimates for the particular sample at hand. Finite sample estimates can easily be obtained using the state-space representation of the model but are difficult to obtain under the conventional approach of likelihood-based estimation. We use R and WinBUGS to apply the model to two examples. In a standard analysis for the European Crossbill in a large Swiss monitoring program, we fit a model with year-specific parameters. Estimates of the dynamic parameters varied greatly among years, highlighting the irruptive population dynamics of that species. In the second example, we analyze route occupancy of Cerulean Warblers in the North American Breeding Bird Survey (BBS) using a model allowing for site

18. A Bayesian state-space formulation of dynamic occupancy models

USGS Publications Warehouse

Royle, J. Andrew; Kery, M.

2007-01-01

Species occurrence and its dynamic components, extinction and colonization probabilities, are focal quantities in biogeography and metapopulation biology, and for species conservation assessments. It has been increasingly appreciated that these parameters must be estimated separately from detection probability to avoid the biases induced by nondetection error. Hence, there is now considerable theoretical and practical interest in dynamic occupancy models that contain explicit representations of metapopulation dynamics such as extinction, colonization, and turnover as well as growth rates. We describe a hierarchical parameterization of these models that is analogous to the state-space formulation of models in time series, where the model is represented by two components, one for the partially observable occupancy process and another for the observations conditional on that process. This parameterization naturally allows estimation of all parameters of the conventional approach to occupancy models, but in addition, yields great flexibility and extensibility, e.g., to modeling heterogeneity or latent structure in model parameters. We also highlight the important distinction between population and finite sample inference; the latter yields much more precise estimates for the particular sample at hand. Finite sample estimates can easily be obtained using the state-space representation of the model but are difficult to obtain under the conventional approach of likelihood-based estimation. We use R and Win BUGS to apply the model to two examples. In a standard analysis for the European Crossbill in a large Swiss monitoring program, we fit a model with year-specific parameters. Estimates of the dynamic parameters varied greatly among years, highlighting the irruptive population dynamics of that species. In the second example, we analyze route occupancy of Cerulean Warblers in the North American Breeding Bird Survey (BBS) using a model allowing for site

19. Ratio of forbidden transition rates in the ground-state configuration of O ii

Han, Xiao-Ying; Gao, Xiang; Zeng, De-Ling; Yan, Jun; Li, Jia-Ming

2012-06-01

Based on a set of “quasicomplete bases,” using the large-scale multiconfiguration Dirac-Fock (MCDF) method, we calculate the forbidden electric quadrupole (E2) and magnetic dipole (M1) transition rates of the transitions 2D5/2,3/2o→4S3/2o of the O ii ground state considering the quantum electrodynamics (QED) corrections. Our calculations demonstrate that the Breit interactions are most important among all the QED corrections. The calculated E2 and M1 transition rates converge in a systematical and uniform manner with the extending orbital basis and the calculation uncertainty of 2.5% is achieved by considering the valence- and core-excitation correlations totally. With the converged transition rates, a value of the intensity ratio between the two transitions in high-electron-density limit in planetary nebulas is given, that is, r(∞)=0.363±0.009, which is within the overlap of the different observations and with the least uncertainty up to now. In addition, the E2 and M1 transition rates of two transitions 2P3/2,1/2o→4S3/2o of O ii ground state and the ratio between the two transition rates in high-electron-density limit are calculated and compared with the previous results.

20. ASTEROSEISMOLOGY OF THE TRANSITING EXOPLANET HOST HD 17156 WITH HUBBLE SPACE TELESCOPE FINE GUIDANCE SENSOR

SciTech Connect

Gilliland, Ronald L.; McCullough, Peter R.; Nelan, Edmund P.; Brown, Timothy M.; Charbonneau, David; Nutzman, Philip; Christensen-Dalsgaard, Joergen; Kjeldsen, Hans

2011-01-01

Observations conducted with the Fine Guidance Sensor on the Hubble Space Telescope (HST) providing high cadence and precision time-series photometry were obtained over 10 consecutive days in 2008 December on the host star of the transiting exoplanet HD 17156b. During this time, 1.0 x 10{sup 12} photons (corrected for detector dead time) were collected in which a noise level of 163 parts per million per 30 s sum resulted, thus providing excellent sensitivity to the detection of the analog of the solar 5-minute p-mode oscillations. For HD 17156, robust detection of p modes supports the determination of the stellar mean density of ({rho}{sub *}) = 0.5301 {+-} 0.0044 g cm{sup -3} from a detailed fit to the observed frequencies of modes of degree l = 0, 1, and 2. This is the first star for which the direct determination of ({rho}{sub *}) has been possible using both asteroseismology and detailed analysis of a transiting planet light curve. Using the density constraint from asteroseismology, and stellar evolution modeling results in M{sub *} = 1.285 {+-} 0.026 M{sub sun}, R{sub *} = 1.507 {+-} 0.012 R{sub sun}, and a stellar age of 3.2 {+-} 0.3 Gyr.

1. James Web Space Telescope: supporting multiple ground system transitions in one year

Detter, Ryan; Fatig, Curtis; Steck, Jane

2004-09-01

Ideas, requirements, and concepts developed during the very early phases of the mission design often conflict with the reality of a situation once the prime contractors are awarded. This happened for the James Webb Space Telescope (JWST) as well. The high level requirement of a common real-time ground system for both the Integration and Test (I&T), as well as the Operation phase of the mission is meant to reduce the cost and time needed later in the mission development for recertification of databases, command and control systems, scripts, display pages, etc. In the case of JWST, the early Phase A flight software development needed a real-time ground system and database prior to the spacecraft prime contractor being selected. To compound the situation, the very low level requirements for the real-time ground system were not well defined. These two situations caused the initial real-time ground system to be switched out for a system that was previously used by the flight software development team. To meet the high-level requirement, a third ground system was selected based on the prime spacecraft contractor needs and JWST Project decisions. The JWST ground system team has responded to each of these changes successfully. The lessons learned from each transition have not only made each transition smoother, but have also resolved issues earlier in the mission development than what would normally occur.

2. James Webb Space Telescope: Supporting Multiple Ground System Transitions in One Year

NASA Technical Reports Server (NTRS)

Detter, Ryan; Fatig, Curtis; Steck, Jane

2004-01-01

Ideas, requirements, and concepts developed during the very early phases of the mission design often conflict with the reality of a situation once the prime contractors are awarded. This happened for the James Webb Space Telescope (JWST) as well. The high level requirement of a common real-time ground system for both the Integration and Test (I&T), as well as the Operation phase of the mission is meant to reduce the cost and time needed later in the mission development for re-certification of databases, command and control systems, scripts, display pages, etc. In the case of JWST, the early Phase A flight software development needed a real-time ground system and database prior to the spacecraft prime contractor being selected. To compound the situation, the very low level requirements for the real-time ground system were not well defined. These two situations caused the initial real-time ground system to be switched out for a system that was previously used by the Bight software development team. To meet the high-!evel requirement, a third ground system was selected based on the prime spacecraft contractor needs and JWST Project decisions. The JWST ground system team has responded to each of these changes successfully. The lessons learned from each transition have not only made each transition smoother, but have also resolved issues earlier in the mission development than what would normally occur.

3. The 10 Hz Frequency: A Fulcrum For Transitional Brain States

PubMed Central

Garcia-Rill, E.; D’Onofrio, S.; Luster, B.; Mahaffey, S.; Urbano, F. J.; Phillips, C.

2016-01-01

A 10 Hz rhythm is present in the occipital cortex when the eyes are closed (alpha waves), in the precentral cortex at rest (mu rhythm), in the superior and middle temporal lobe (tau rhythm), in the inferior olive (projection to cerebellar cortex), and in physiological tremor (underlying all voluntary movement). These are all considered resting rhythms in the waking brain which are “replaced” by higher frequency activity with sensorimotor stimulation. That is, the 10 Hz frequency fulcrum is replaced on the one hand by lower frequencies during sleep, or on the other hand by higher frequencies during volition and cognition. The 10 Hz frequency fulcrum is proposed as the natural frequency of the brain during quiet waking, but is replaced by higher frequencies capable of permitting more complex functions, or by lower frequencies during sleep and inactivity. At the center of the transition shifts to and from the resting rhythm is the reticular activating system, a phylogenetically preserved area of the brain essential for preconscious awareness.

4. STATE TRANSITIONS IN LOW-MASS X-RAY BINARIES

SciTech Connect

2009-10-10

We investigate the model of disk/coronal accretion into a black hole. We show that the inner regions of an accretion disk in X-ray binaries can transform from a cool standard disk to an advection-dominated flow through the known properties of Coulomb interaction in a two-temperature plasma, viscous heating, radiative processes, and thermal conduction. A hot, diffuse corona covering the disk is powered by accretion, but it exchanges mass with the underlying cold disk. If the accretion rate in the system is low enough, we show that the corona evaporates the disk away, leaving an advective flow to continue toward the hole. In the soft/hard transition commonly seen in X-ray binaries, we show that this advective flow can recondense back onto the underlying disk if the change in the system's accretion rate is slow enough due to thermal conduction. Unabsorbed spectra are produced to test against observations as well as prediction of the location of truncation radii of the accretion disk.

5. The slow S to M fluorescence rise in cyanobacteria is due to a state 2 to state 1 transition.

PubMed

Kaňa, Radek; Kotabová, Eva; Komárek, Ondřej; Sedivá, Barbora; Papageorgiou, George C; Govindjee; Prášil, Ondřej

2012-08-01

In dark-adapted plants and algae, chlorophyll a fluorescence induction peaks within 1s after irradiation due to well documented photochemical and non-photochemical processes. Here we show that the much slower fluorescence rise in cyanobacteria (the so-called "S to M rise" in tens of seconds) is due to state 2 to state 1 transition. This has been demonstrated in particular for Synechocystis PCC6803, using its RpaC(-) mutant (locked in state 1) and its wild-type cells kept in hyperosmotic suspension (locked in state 2). In both cases, the inhibition of state changes correlates with the disappearance of the S to M fluorescence rise, confirming its assignment to the state 2 to state 1 transition. The general physiological relevance of the SM rise is supported by its occurrence in several cyanobacterial strains: Synechococcus (PCC 7942, WH 5701) and diazotrophic single cell cyanobacterium (Cyanothece sp. ATCC 51142). We also show here that the SM fluorescence rise, and also the state transition changes are less prominent in filamentous diazotrophic cyanobacterium Nostoc sp. (PCC 7120) and absent in phycobilisome-less cyanobacterium Prochlorococcus marinus PCC 9511. Surprisingly, it is also absent in the phycobiliprotein rod containing Acaryochloris marina (MBIC 11017). All these results show that the S to M fluorescence rise reflects state 2 to state 1 transition in cyanobacteria with phycobilisomes formed by rods and core parts. We show that the pronounced SM fluorescence rise may reflect a protective mechanism for excess energy dissipation in those cyanobacteria (e.g. in Synechococcus PCC 7942) that are less efficient in other protective mechanisms, such as blue light induced non-photochemical quenching. This article is part of a Special Issue entitled: Photosynthesis Research for Sustainability: from Natural to Artificial. PMID:22402228

6. Exotic and excited-state meson spectroscopy and radiative transitions from lattice QCD

SciTech Connect

Christopher Thomas

2010-09-01

We discuss recent progress in extracting the excited meson spectrum and radiative transition form factors using lattice QCD. We mention results in the charmonium sector, including the first lattice QCD calculation of radiative transition rates involving excited charmonium states, highlighting results for high spin and exotic states. We present recent results on a highly excited isovector meson spectrum from dynamical anisotropic lattices. Using carefully constructed operators we show how the continuum spin of extracted states can be reliably identified and confidently extract excited states, states with exotic quantum numbers and states of high spin. This spectrum includes the first spin-four state extracted from lattice QCD. We conclude with some comments on future prospects.

7. Tendency to occupy a statistically dominant spatial state of the flow as a driving force for turbulent transition.

PubMed

Chekmarev, Sergei F

2013-03-01

The transition from laminar to turbulent fluid motion occurring at large Reynolds numbers is generally associated with the instability of the laminar flow. On the other hand, since the turbulent flow characteristically appears in the form of spatially localized structures (e.g., eddies) filling the flow field, a tendency to occupy such a structured state of the flow cannot be ruled out as a driving force for turbulent transition. To examine this possibility, we propose a simple analytical model that treats the flow as a collection of localized spatial structures, each of which consists of elementary cells in which the behavior of the particles (atoms or molecules) is uncorrelated. This allows us to introduce the Reynolds number, associating it with the ratio between the total phase volume for the system and that for the elementary cell. Using the principle of maximum entropy to calculate the most probable size distribution of the localized structures, we show that as the Reynolds number increases, the elementary cells group into the localized structures, which successfully explains turbulent transition and some other general properties of turbulent flows. An important feature of the present model is that a bridge between the spatial-statistical description of the flow and hydrodynamic equations is established. We show that the basic assumptions underlying the model, i.e., that the particles are indistinguishable and elementary volumes of phase space exist in which the state of the particles is uncertain, are involved in the derivation of the Navier-Stokes equation. Taking into account that the model captures essential features of turbulent flows, this suggests that the driving force for the turbulent transition is basically the same as in the present model, i.e., the tendency of the system to occupy a statistically dominant state plays a key role. The instability of the flow at high Reynolds numbers can then be a mechanism to initiate structural rearrangement of

8. Travel Patterns And Characteristics Of Transit Users In New York State

SciTech Connect

Hwang, Ho-Ling; Wilson, Daniel W.; Reuscher, Tim; Chin, Shih-Miao; Taylor, Rob D.

2015-12-01

This research is a detailed examination of the travel behaviors and patterns of transit users within New York State (NYS), primarily based on travel data provided by the National Household Travel Survey (NHTS) in 2009 and the associated Add-on sample households purchased by the New York State Department of Transportation (NYSDOT). Other data sources analyzed in this study include: NYS General Transit Feed Specification (GTFS) to assist in analyzing spatial relationships for access to transit and the creation of Transit Shed geographic areas of 1, 2.5, and 5 miles from transit stop locations, LandScan population database to understand transit coverage, and Census Bureau s American Community Survey (ACS) data to examine general transit patterns and trends in NYS over time. The majority of analyses performed in this research aimed at identifying transit trip locations, understanding differences in transit usage by traveler demographics, as well as producing trip/mode-specific summary statistics including travel distance, trip duration, time of trip, and travel purpose of transit trips made by NYS residents, while also analyzing regional differences and unique travel characteristics and patterns. The analysis was divided into two aggregated geographic regions: New York Metropolitan Transportation Council (NYMTC) and NYS minus NYMTC (Rest of NYS). The inclusion of NYMTC in all analysis would likely produce misleading conclusions for other regions in NYS. TRANSIT COVERAGE The NYS transit network has significant coverage in terms of transit stop locations across the state s population. Out of the 19.3 million NYS population in 2011, about 15.3 million (or 79%) resided within the 1-mile transit shed. This NYS population transit coverage increased to 16.9 million (or 88%) when a 2.5-mile transit shed was considered; and raised to 17.7 million (or 92%) when the 5-mile transit shed was applied. KEY FINDINGS Based on 2009 NHTS data, about 40% of NYMTC households used transit

9. The Perceived Readiness of the Graduates of Delaware State University to Transition into the Workforce

ERIC Educational Resources Information Center

Scott-Cheatham, Lawita Germaine

2013-01-01

This study was designed to explore the perceived readiness of the graduating seniors at Delaware State University to transition from the classroom into the workforce. Delaware State University's undergraduate graduating class of 2012, 547 undergraduate seniors, were invited to participate in an online survey comprised of 23 items--derived…

10. The State and Curriculum in the Transition to Socialism: The Zimbabwean Experience.

ERIC Educational Resources Information Center

Jansen, Jonathan

1991-01-01

Uses a case study of curriculum innovation in Zimbabwe to assess existing explanations of why colonial curriculum content persists in many postcolonial states despite radical policy efforts. Argues for the primacy of conflict, history, and politics as determinants of school curriculum in Third World transition states. Contains 47 references. (SV)

11. An assessment of state-and-transition models: Perceptions following two decades of development and implementation

Technology Transfer Automated Retrieval System (TEKTRAN)

State and transition models (STMs) are being developed for many areas in the United States and represent an important tool for assessing and managing public and private rangelands. Substantial resources have been invested in model development, yet minimal efforts have been made to evaluate the utili...

12. State-and-transition models as guides for adaptive management: What are the needs?

Technology Transfer Automated Retrieval System (TEKTRAN)

State and transaction models (STMs) were conceived as a means to organize information about land potential and vegetation dynamics in rangelands to be used in their management. The basic idea is to describe the plant community states that can occur on a site and the causes of transitions between the...

13. The Transient to Steady-State Transition during the Spray-Rolling Process

SciTech Connect

Yaojun Lin; Kevin M. McHugh; Yizhang Zhou; Enrique J. Lavernia

2004-11-01

From the geometrical standpoint, this article presents a qualitative theoretical analysis and prediction of the transient to steady-state transition during the spray-rolling process, a novel manufacturing technique for aluminum strips. The analytical results indicate that, when the deposited materials at the specific points on one roll surface overlap their counter-parts on the other roll surface, spray rolling transits from the transient state to the steady state. The specific points are the limiting depositon position of the atomized droplets on the roll surface initially.

14. A solid-state digital temperature recorder for space use

NASA Technical Reports Server (NTRS)

Westbrook, R. M.; Bennett, L. D.; Steinhaver, R. A.; Deboo, G. J.

1981-01-01

A solid-state, digital, temperature recorder has been developed for use in space experiments. The recorder is completely self-contained and includes a temperature sensor; all necessary electronics for signal conditioning, processing, storing, control and timing; and a battery power supply. No electrical interfacing with the particular spacecraft on which the unit is used is required. The recorder is small, light, and sturdy, and has no moving parts. It uses only biocompatible materials and has passed vibration and shock spaceflight qualification tests. The unit is capable of storing 2048, -10 to +45 C, 8-bit temperature measurements taken at intervals selectable by factors of 2 from 1.875 to 240 min; data can be retained for at least 6 months. The basic recorder can be simplified to accommodate a variety of applications by adding memory to allow more data to be recorded, by changing the front end to permit measurements other than temperature to be made, and by using different batteries to realize various operating periods. Stored flight data are read out from the recorder by means of a ground read-out unit.

15. Geometry of state space in plane Couette flow

Cvitanović, P.; Gibson, J. F.

A large conceptual gap separates the theory of low-dimensional chaotic dynamics from the infinite-dimensional nonlinear dynamics of turbulence. Recent advances in experimental imaging, computational methods, and dynamical systems theory suggest a way to bridge this gap in our understanding of turbulence. Recent discoveries show that recurrent coherent structures observed in wall-bounded shear flows (such as pipes and plane Couette flow) result from close passes to weakly unstable invariant solutions of the Navier-Stokes equations. These 3D, fully nonlinear solutions (equilibria, traveling waves, and periodic orbits) structure the state space of turbulent flows and provide a skeleton for analyzing their dynamics. We calculate a hierarchy of invariant solutions for plane Couette, a canonical wall-bounded shear flow. These solutions reveal organization in the flow's turbulent dynamics and can be used to predict directly from the fundamental equations physical quantities such as bulk flow rate and mean wall drag. All results and the code that generates them are disseminated through through our group's open-source CFD software and solution database Channelflow.org and the collaborative e-book ChaosBook.org.

16. Modeling diurnal hormone profiles by hierarchical state space models.

PubMed

Liu, Ziyue; Guo, Wensheng

2015-10-30

Adrenocorticotropic hormone (ACTH) diurnal patterns contain both smooth circadian rhythms and pulsatile activities. How to evaluate and compare them between different groups is a challenging statistical task. In particular, we are interested in testing (1) whether the smooth ACTH circadian rhythms in chronic fatigue syndrome and fibromyalgia patients differ from those in healthy controls and (2) whether the patterns of pulsatile activities are different. In this paper, a hierarchical state space model is proposed to extract these signals from noisy observations. The smooth circadian rhythms shared by a group of subjects are modeled by periodic smoothing splines. The subject level pulsatile activities are modeled by autoregressive processes. A functional random effect is adopted at the pair level to account for the matched pair design. Parameters are estimated by maximizing the marginal likelihood. Signals are extracted as posterior means. Computationally efficient Kalman filter algorithms are adopted for implementation. Application of the proposed model reveals that the smooth circadian rhythms are similar in the two groups but the pulsatile activities in patients are weaker than those in the healthy controls. PMID:26152819

17. Fast state-space methods for inferring dendritic synaptic connectivity.

PubMed

Pakman, Ari; Huggins, Jonathan; Smith, Carl; Paninski, Liam

2014-06-01

We present fast methods for filtering voltage measurements and performing optimal inference of the location and strength of synaptic connections in large dendritic trees. Given noisy, subsampled voltage observations we develop fast l1-penalized regression methods for Kalman state-space models of the neuron voltage dynamics. The value of the l1-penalty parameter is chosen using cross-validation or, for low signal-to-noise ratio, a Mallows' Cp-like criterion. Using low-rank approximations, we reduce the inference runtime from cubic to linear in the number of dendritic compartments. We also present an alternative, fully Bayesian approach to the inference problem using a spike-and-slab prior. We illustrate our results with simulations on toy and real neuronal geometries. We consider observation schemes that either scan the dendritic geometry uniformly or measure linear combinations of voltages across several locations with random coefficients. For the latter, we show how to choose the coefficients to offset the correlation between successive measurements imposed by the neuron dynamics. This results in a "compressed sensing" observation scheme, with an important reduction in the number of measurements required to infer the synaptic weights. PMID:24077932

18. A Knowledge Discovery from POS Data using State Space Models

The number of competing-brands changes by new product's entry. The new product introduction is endemic among consumer packaged goods firm and is an integral component of their marketing strategy. As a new product's entry affects markets, there is a pressing need to develop market response model that can adapt to such changes. In this paper, we develop a dynamic model that capture the underlying evolution of the buying behavior associated with the new product. This extends an application of a dynamic linear model, which is used by a number of time series analyses, by allowing the observed dimension to change at some point in time. Our model copes with a problem that dynamic environments entail: changes in parameter over time and changes in the observed dimension. We formulate the model with framework of a state space model. We realize an estimation of the model using modified Kalman filter/fixed interval smoother. We find that new product's entry (1) decreases brand differentiation for existing brands, as indicated by decreasing difference between cross-price elasticities; (2) decreases commodity power for existing brands, as indicated by decreasing trend; and (3) decreases the effect of discount for existing brands, as indicated by a decrease in the magnitude of own-brand price elasticities. The proposed framework is directly applicable to other fields in which the observed dimension might be change, such as economic, bioinformatics, and so forth.

19. Holography and quantum states in elliptic de Sitter space

Halpern, Illan F.; Neiman, Yasha

2015-12-01

We outline a program for interpreting the higher-spin dS/CFT model in terms of physics in the causal patch of a dS observer. The proposal is formulated in "elliptic" de Sitter space d{S}_4/{Z}_2 , obtained by identifying antipodal points in dS 4. We discuss recent evidence that the higher-spin model is especially well-suited for this, since the antipodal symmetry of bulk solutions has a simple encoding on the boundary. For context, we test some other (free and interacting) theories for the same property. Next, we analyze the notion of quantum field states in the non-time-orientable d{S}_4/{Z}_2 . We compare the physics seen by different observers, with the outcome depending on whether they share an arrow of time. Finally, we implement the marriage between higher-spin holography and observers in d{S}_4/{Z}_2 , in the limit of free bulk fields. We succeed in deriving an observer's operator algebra and Hamiltonian from the CFT, but not her S-matrix. We speculate on the extension of this to interacting higher-spin theory.

20. Role of Chemical Reactivity and Transition State Modeling for Virtual Screening.

PubMed

Karthikeyan, Muthukumarasamy; Vyas, Renu; Tambe, Sanjeev S; Radhamohan, Deepthi; Kulkarni, Bhaskar D

2015-01-01

Every drug discovery research program involves synthesis of a novel and potential drug molecule utilizing atom efficient, economical and environment friendly synthetic strategies. The current work focuses on the role of the reactivity based fingerprints of compounds as filters for virtual screening using a tool ChemScore. A reactant-like (RLS) and a product- like (PLS) score can be predicted for a given compound using the binary fingerprints derived from the numerous known organic reactions which capture the molecule-molecule interactions in the form of addition, substitution, rearrangement, elimination and isomerization reactions. The reaction fingerprints were applied to large databases in biology and chemistry, namely ChEMBL, KEGG, HMDB, DSSTox, and the Drug Bank database. A large network of 1113 synthetic reactions was constructed to visualize and ascertain the reactant product mappings in the chemical reaction space. The cumulative reaction fingerprints were computed for 4000 molecules belonging to 29 therapeutic classes of compounds, and these were found capable of discriminating between the cognition disorder related and anti-allergy compounds with reasonable accuracy of 75% and AUC 0.8. In this study, the transition state based fingerprints were also developed and used effectively for virtual screening in drug related databases. The methodology presented here provides an efficient handle for the rapid scoring of molecular libraries for virtual screening. PMID:26138569

1. Non-linear dynamics of the photodissociation of nitrous oxide: equilibrium points, periodic orbits, and transition states.

PubMed

Mauguiere, Frederic; Farantos, Stavros C; Suarez, Jaime; Schinke, Reinhard

2011-06-28

The diffuse vibrational bands, observed in the ultraviolet photodissociation spectrum of nitrous oxide by exciting the molecule in the first (1)A' state, have recently been attributed to resonances localized mainly in the NN stretch and bend degrees of freedom. To further investigate the origin of this localization, fundamental families of periodic orbits emanating from several stationary points of the (1)A' potential energy surface and bifurcations of them are computed. We demonstrate that center-saddle bifurcations of periodic orbits are the main mechanism for creating stable regions in phase space that can support the partial trapping of the wave packet, and thus they explain the observed spectra. A non-linear mechanical methodology, which involves the calculation of equilibria, periodic orbits, and transition states in normal form coordinates, is applied for an in detail exploration of phase space. The fingerprints of the phase space structures in the quantum world are identified by solving the time dependent Schrödinger equation and calculating autocorrelation functions. This demonstrates that different reaction channels could be controlled if exact knowledge of the phase space structure is available to guide the initial excitation of the molecule. PMID:21721625

2. Transition from ring to beam arc distributions of water ions near the space shuttle orbiter

SciTech Connect

Cairns, I.H. )

1990-09-01

The distribution function of water ions produced near the space shuttle by charge exchange between ionospheric oxygen ions and outgassed water molecules is investigated using solutions of Liouville's equation with a source term modeling the charge exchange process. A transition from ring distributions to beamlike distributions termed beam arc distributions is found with decreasing distance upstream from the orbiter. This beam arc distribution corresponds to a finite section of a ring distribution and not to a conventional beam distribution. The ratio of water ion number density to oxygen ion number density is calculated; typical values within 50 m of the shuttle are in excess of 2% with a maximum value of the order of 20% for nominal parameters, suggsting that these ions must be considered with interpreting particle data from near the space shuttle. An argument for a plasma density enhancement of the order of 10% very close to the shuttle, due to kinematic effects (corresponding to pileup of plasma) and not to plasma creation, is also presented. This kinetmatic density enhancement is insufficient, by an order of magnitude, to explain the plasma density enhancements inferred from Spacelab 2 data.

3. State Transition to High-Quality, College/Career-Ready Assessments: A Workbook for State Action on Key Policy, Legal, and Technical Issues. Updated

ERIC Educational Resources Information Center

Achieve, Inc., 2013

2013-01-01

Over the next few years, states will be transitioning to new, high-quality assessments aligned to the Common Core State Standards (CCSS) or other state college- and career-ready (CCR) standards. States are committed to making this transition in a manner that is determined and thoughtful--to help transform teaching and learning, advance CCR…

4. H 1743-322 moves towards a state transition

Belloni, T.; Stiele, H.; Motta, S.; Munoz-Darias, T.

2011-04-01

The black-hole candidate H 1743-322, currently in outburst (ATel #3277,#3280,#3295) in the Hard Intermediate State, was observed by RXTE on April 21 20:13-20:32UT. Compared with the previous observation on April 20 12:22-13:22UT, the source has softened considerably and its fast-variability characteristic frequencies have increased. The hardness (defined as the ratio of PCA counts in the 6.1-10.2 keV band over those in the 3.3-6.1 keV band) dropped from 0.794 ± 0.004 to 0.644 ± 0.004.

5. Decoding brain state transitions in the pedunculopontine nucleus: cooperative phasic and tonic mechanisms

PubMed Central

Petzold, Anne; Valencia, Miguel; Pál, Balázs; Mena-Segovia, Juan

2015-01-01

Cholinergic neurons of the pedunculopontine nucleus (PPN) are most active during the waking state. Their activation is deemed to cause a switch in the global brain activity from sleep to wakefulness, while their sustained discharge may contribute to upholding the waking state and enhancing arousal. Similarly, non-cholinergic PPN neurons are responsive to brain state transitions and their activation may influence some of the same targets of cholinergic neurons, suggesting that they operate in coordination. Yet, it is not clear how the discharge of distinct classes of PPN neurons organize during brain states. Here, we monitored the in vivo network activity of PPN neurons in the anesthetized rat across two distinct levels of cortical dynamics and their transitions. We identified a highly structured configuration in PPN network activity during slow-wave activity that was replaced by decorrelated activity during the activated state (AS). During the transition, neurons were predominantly excited (phasically or tonically), but some were inhibited. Identified cholinergic neurons displayed phasic and short latency responses to sensory stimulation, whereas the majority of non-cholinergic showed tonic responses and remained at high discharge rates beyond the state transition. In vitro recordings demonstrate that cholinergic neurons exhibit fast adaptation that prevents them from discharging at high rates over prolonged time periods. Our data shows that PPN neurons have distinct but complementary roles during brain state transitions, where cholinergic neurons provide a fast and transient response to sensory events that drive state transitions, whereas non-cholinergic neurons maintain an elevated firing rate during global activation. PMID:26582977

6. International Space Station as Analog of Interplanetary Transit Vehicle For Biomedical Research

NASA Technical Reports Server (NTRS)

Charles, John B.

2012-01-01

Astronaut missions lasting up to six months aboard the International Space Station (ISS) have much in common with interplanetary flights, especially the outbound, Earth-to-Mars transit portion of a Mars mission. Utilization of ISS and other appropriate platforms to prepare for crewed expeditions to planetary destinations including Mars has been the work of NASA's Human Research Program (HRP) since 2005. HRP is charged specifically to understand and reduced the risks to astronaut health and performance in space exploration missions: everything HRP does and has done is directly related to that responsibility. Two major categories of human research have capitalized on ISS capabilities. The first category centers on the biomedical aspects of long-duration exposure to spaceflight factors, including prolonged weightlessness, radiation exposure, isolation and confinement, and actual risk to life and limb. These studies contribute to astronaut safety, health and efficiency on any long-duration missions, whether in low Earth orbit (LEO) or beyond. Qualitatively, weightlessness is weightlessness, whether in LEO or en route to Mars. The HRP sponsors investigations into losses in muscle and bone integrity, cardiovascular function, sensory-motor capability, immune capacity and psychosocial health, and development and demonstration of appropriate treatments and preventative measures. The second category includes studies that are focused on planetary expeditions beyond LEO. For these, ISS offers a high fidelity analog to investigate the combined effects of spaceflight factors (described above) plus the isolation and autonomy associated with simulated increasing distance from Earth. Investigations address crew cohesion, performance and workload, and mission control performance. The behavioral health and performance and space human factors aspects of planetary missions dominate this category. Work has already begun on a new investigation in this category which will examine the

7. Chloroplast remodeling during state transitions in Chlamydomonas reinhardtii as revealed by noninvasive techniques in vivo

PubMed Central

Nagy, Gergely; Ünnep, Renáta; Zsiros, Ottó; Tokutsu, Ryutaro; Takizawa, Kenji; Porcar, Lionel; Moyet, Lucas; Petroutsos, Dimitris; Garab, Győző; Finazzi, Giovanni; Minagawa, Jun

2014-01-01

Plants respond to changes in light quality by regulating the absorption capacity of their photosystems. These short-term adaptations use redox-controlled, reversible phosphorylation of the light-harvesting complexes (LHCIIs) to regulate the relative absorption cross-section of the two photosystems (PSs), commonly referred to as state transitions. It is acknowledged that state transitions induce substantial reorganizations of the PSs. However, their consequences on the chloroplast structure are more controversial. Here, we investigate how state transitions affect the chloroplast structure and function using complementary approaches for the living cells of Chlamydomonas reinhardtii. Using small-angle neutron scattering, we found a strong periodicity of the thylakoids in state 1, with characteristic repeat distances of ∼200 Å, which was almost completely lost in state 2. As revealed by circular dichroism, changes in the thylakoid periodicity were paralleled by modifications in the long-range order arrangement of the photosynthetic complexes, which was reduced by ∼20% in state 2 compared with state 1, but was not abolished. Furthermore, absorption spectroscopy reveals that the enhancement of PSI antenna size during state 1 to state 2 transition (∼20%) is not commensurate to the decrease in PSII antenna size (∼70%), leading to the possibility that a large part of the phosphorylated LHCIIs do not bind to PSI, but instead form energetically quenched complexes, which were shown to be either associated with PSII supercomplexes or in a free form. Altogether these noninvasive in vivo approaches allow us to present a more likely scenario for state transitions that explains their molecular mechanism and physiological consequences. PMID:24639515

8. Generic finite size scaling for discontinuous nonequilibrium phase transitions into absorbing states.

PubMed

de Oliveira, M M; da Luz, M G E; Fiore, C E

2015-12-01

Based on quasistationary distribution ideas, a general finite size scaling theory is proposed for discontinuous nonequilibrium phase transitions into absorbing states. Analogously to the equilibrium case, we show that quantities such as response functions, cumulants, and equal area probability distributions all scale with the volume, thus allowing proper estimates for the thermodynamic limit. To illustrate these results, five very distinct lattice models displaying nonequilibrium transitions-to single and infinitely many absorbing states-are investigated. The innate difficulties in analyzing absorbing phase transitions are circumvented through quasistationary simulation methods. Our findings (allied to numerical studies in the literature) strongly point to a unifying discontinuous phase transition scaling behavior for equilibrium and this important class of nonequilibrium systems. PMID:26764651

9. Structural transition, subgap states, and carrier transport in anion-engineered zinc oxynitride nanocrystalline films

Xian, Fenglin; Ye, Jiandong; Gu, Shulin; Tan, Hark Hoe; Jagadish, Chennupati

2016-07-01

In this work, anion alloying is engineered in ZnON nanocrystalline films, and the resultant evolution of the structural transition, subgap states, and carrier transport is investigated. A broad distribution of sub-gap states above the valence band maximum is introduced by nitrogen due to the hybridization of N 2p and O 2p orbitals. The phase transition from partially amorphous states to full crystallinity occurs above a characteristic growth temperature of 100 °C, and the localized states are suppressed greatly due to the reduction of nitrogen composition. The electronic properties are dominated by grain boundary scattering and electron transport across boundary barriers through thermal activation at band edge states at high temperatures. The conductivity below 130 K exhibits a weak temperature dependence, which is a signature of variable-range hopping conduction between localized states introduced by nitrogen incorporation.

10. Double excitations and state-to-state transition dipoles in π-π∗ excited singlet states of linear polyenes: Time-dependent density-functional theory versus multiconfigurational methods

Mikhailov, Ivan A.; Tafur, Sergio; Masunov, Artëm E.

2008-01-01

The effect of static and dynamic electron correlation on the nature of excited states and state-to-state transition dipole moments is studied with a multideterminant wave function approach on the example of all-trans linear polyenes ( C4H6 , C6H8 , and C8H10 ). Symmetry-forbidden singlet nAg states were found to separate into three groups: purely single, mostly single, and mostly double excitations. The excited-state absorption spectrum is dominated by two bright transitions: 1Bu-2Ag and 1Bu-mAg , where mAg is the state, corresponding to two-electron excitation from the highest occupied to lowest unoccupied molecular orbital. The richness of the excited-state absorption spectra and strong mixing of the doubly excited determinants into lower- nAg states, reported previously at the complete active space self-consistent field level of theory, were found to be an artifact of the smaller active space, limited to π orbitals. When dynamic σ-π correlation is taken into account, single- and double-excited states become relatively well separated at least at the equilibrium geometry of the ground state. This electronic structure is closely reproduced within time-dependent density-functional theory (TD DFT), where double excitations appear in a second-order coupled electronic oscillator formalism and do not mix with the single excitations obtained within the linear response. An extension of TD DFT is proposed, where the Tamm-Dancoff approximation (TDA) is invoked after the linear response equations are solved (a posteriori TDA). The numerical performance of this extension is validated against multideterminant-wave-function and quadratic-response TD DFT results. It is recommended for use with a sum-over-states approach to predict the nonlinear optical properties of conjugated molecules.

11. Phase transitions of the q-state Potts model on multiply-laced Sierpinski gaskets

Tian, Liang; Ma, Hui; Guo, Wenan; Tang, Lei-Han

2013-05-01

We present an exact solution of the q-state Potts model on a class of generalized Sierpinski fractal lattices. The model is shown to possess an ordered phase at low temperatures and a continuous transition to the high temperature disordered phase at any q ≥ 1. Multicriticality is observed in the presence of a symmetry-breaking field. Exact renormalization group analysis yields the phase diagram of the model and a complete set of critical exponents at various transitions.

12. Invariant criteria for bound states, degree of ionization, and plasma phase transition

NASA Technical Reports Server (NTRS)

Girardeau, M. D.

1990-01-01

Basis invariant characterizations of bound states and bound fraction of a partially ionized hydrogen plasma are given in terms of properties of the spectrum of eigenvalues and eigenfunctions of the equilibrium quantum statistical one-proton-one-electron reduced density matrix. It is suggested that these can be used to place theories of a proposed plasma-ionization phase transition on a firm foundation. This general approach may be relevant to cosmological questions such as the quark deconfinement-confinement transition.

13. Transit timing of TrES-2: a combined analysis of ground- and space-based photometry

Raetz, St.; Maciejewski, G.; Ginski, Ch.; Mugrauer, M.; Berndt, A.; Eisenbeiss, T.; Adam, Ch.; Raetz, M.; Roell, T.; Seeliger, M.; Marka, C.; Vaňko, M.; Bukowiecki, Ł.; Errmann, R.; Kitze, M.; Ohlert, J.; Pribulla, T.; Schmidt, J. G.; Sebastian, D.; Puchalski, D.; Tetzlaff, N.; Hohle, M. M.; Schmidt, T. O. B.; Neuhäuser, R.

2014-10-01

Homogeneous observations and careful analysis of transit light curves can lead to the identification of transit timing variations (TTVs). TrES-2 is one of few exoplanets, which offer the matchless possibility to combine long-term ground-based observations with continuous satellite data. Our research aimed at the search for TTVs that would be indicative of perturbations from additional bodies in the system. We also wanted to refine the system parameters and the orbital elements. We obtained 44 ground-based light curves of 31 individual transit events of TrES-2. Eight 0.2-2.2-m telescopes located at six observatories in Germany, Poland and Spain were used. In addition, we analysed 18 quarters (Q0-Q17) of observational data from NASA's space telescope Kepler including 435 individual transit events and 11 publicly available ground-based light curves. Assuming different limb darkening (LD) laws we performed an analysis for all light curves and redetermined the parameters of the system. We also carried out a joint analysis of the ground- and space-based data. The long observation period of seven years (2007-2013) allowed a very precise redetermination of the transit ephemeris. For a total of 490 transit light curves of TrES-2, the time of transit mid-point was determined. The transit times support neither variations on long time-scale nor on short time-scales. The nearly continuous observations of Kepler show no statistically significant increase or decrease in the orbital inclination i and the transit duration D. Only the transit depth shows a slight increase which could be an indication of an increasing stellar activity. In general, system parameters obtained by us were found to be in agreement with previous studies but are the most precise values to date.

14. Coherent state approach to the interacting boson model: Test of its validity in the transitional region

SciTech Connect

Inci, I.; Alonso, C. E.; Arias, J. M.; Fortunato, L.; Vitturi, A.

2009-09-15

The predictive power of the coherent state (CS) approach to the interacting boson model (IBM) is tested far from the IBM dynamical symmetry limits. The transitional region along the {gamma}-unstable path from U(5) to O(6) is considered. Excitation energy of the excited {beta} band and intraband and interband transitions obtained within the CS approach are compared with the exact results as a function of the boson number N. We find that the CS formalism provides approximations to the exact results that are correct up to the order 1/N in the transitional region, except in a narrow region close to the critical point.

15. An analytical state transition matrix for an orbit perturbed by oblateness

NASA Technical Reports Server (NTRS)

Mueller, A. C.; Scheifele, G. R.

1976-01-01

A new analytical state transition matrix is presented. This transition matrix contains the two-body terms and the secular and short periodic terms due to the J2 oblateness perturbation. The matrix is derived from a satellite theory which uses a set of 8 canonical elements with the true anomaly as the independent variable. This theory was chosen because of its accuracy and concise formulation. It presents no problems concerning the accuracy of the mean motion, which is typical for classical satellite theories. Numerical experiments show the J2 transition matrix to be superior to the simple two-body matrix.

16. Analytical results for state-to-state transition probabilities in the multistate Landau-Zener model by nonstationary perturbation theory

SciTech Connect

Volkov, M. V.; Ostrovsky, V. N.

2007-02-15

Multistate generalizations of Landau-Zener model are studied by summing entire series of perturbation theory. A technique for analysis of the series is developed. Analytical expressions for probabilities of survival at the diabatic potential curves with extreme slope are proved. Degenerate situations are considered when there are several potential curves with extreme slope. Expressions for some state-to-state transition probabilities are derived in degenerate cases.

17. Getting College and Career Ready during State Transition toward the Common Core State Standards. Working Paper 127

ERIC Educational Resources Information Center

Xu, Zeyu; Cepa, Kennan

2015-01-01

This study provides a first look at how student college- and career-readiness have progressed in the early years of the Common Core State Standards (CCSS) implementation. It is motivated by concern that changes triggered by the standards transition might be disruptive to student learning in the short run, even when those changes may become…

18. State-space reduction and equivalence class sampling for a molecular self-assembly model.

PubMed

Packwood, Daniel M; Han, Patrick; Hitosugi, Taro

2016-07-01

Direct simulation of a model with a large state space will generate enormous volumes of data, much of which is not relevant to the questions under study. In this paper, we consider a molecular self-assembly model as a typical example of a large state-space model, and present a method for selectively retrieving 'target information' from this model. This method partitions the state space into equivalence classes, as identified by an appropriate equivalence relation. The set of equivalence classes H, which serves as a reduced state space, contains none of the superfluous information of the original model. After construction and characterization of a Markov chain with state space H, the target information is efficiently retrieved via Markov chain Monte Carlo sampling. This approach represents a new breed of simulation techniques which are highly optimized for studying molecular self-assembly and, moreover, serves as a valuable guideline for analysis of other large state-space models. PMID:27493765

19. Development of three-dimensional state-space wake theory and application in dynamic ground effect

Yu, Ke

In topics of rotorcraft wake analysis, state-space wake theory has a recognized reputation for advantages in real-time simulation, preliminary design and eigenvalue analysis. Developments in the past decades greatly improved range of validity and accuracy of the state-space modeling approach. This work focuses on further improvement of the state-space wake theory and applications in representing dynamic ground effect. Extended state-space model is developed to represent non-zero mass flux on rotor disk. Its instant practical application, representing ground effect with a mass source ground rotor, is evaluated in both steady and dynamic aspects. Investigations of partial ground effect simulation by state-space model are carried out in different rotor configurations. Additional work is done in improving simulation efficiency of practical application of state-space modeling.

20. State-space reduction and equivalence class sampling for a molecular self-assembly model

PubMed Central

Han, Patrick; Hitosugi, Taro

2016-01-01

Direct simulation of a model with a large state space will generate enormous volumes of data, much of which is not relevant to the questions under study. In this paper, we consider a molecular self-assembly model as a typical example of a large state-space model, and present a method for selectively retrieving ‘target information’ from this model. This method partitions the state space into equivalence classes, as identified by an appropriate equivalence relation. The set of equivalence classes H, which serves as a reduced state space, contains none of the superfluous information of the original model. After construction and characterization of a Markov chain with state space H, the target information is efficiently retrieved via Markov chain Monte Carlo sampling. This approach represents a new breed of simulation techniques which are highly optimized for studying molecular self-assembly and, moreover, serves as a valuable guideline for analysis of other large state-space models. PMID:27493765

1. A critical review of the state of foreign space technology

NASA Technical Reports Server (NTRS)

Grey, J.; Gerard, M.

1978-01-01

Scientific and technical capabilities of foreign nations, i.e., USSR, Japan, West Germany, UK, France, and other ESA nations, are reviewed. Attention is given to areas in which these nations are concentrating their efforts, as well as to areas in which achievements have already been realized. Among them: space industry and processing (including nonterrestrial mining), communications satellite technology, life support systems and space colonies, earth observation, space-borne astronomy and unmanned planetary probes, materials and propulsion, and exobiology (CETI/SETI).

2. A critical review of the state of foreign space technology

NASA Technical Reports Server (NTRS)

Grey, J.; Gerard, M.

1978-01-01

A conference was held to exchange technical information in the area of space technology. Soviet system capability and technology both in Intersputnik and in the domestic Ekran system was discussed in detail. The thermonic power conversion system used in the Soviet Topaz nuclear power reactor was described in detail. Other areas of examination included: (1) Bioastronautics; (2) Space based industry; (3) Propulsion; (4) Astrodynamics; (5) Contact with extraterrestrial intelligence; and (6) Space rescue and safety.

3. Kinetic Definition of Protein Folding Transition State Ensembles and Reaction Coordinates

PubMed Central

Snow, Christopher D.; Rhee, Young Min; Pande, Vijay S.

2006-01-01

Using distributed molecular dynamics simulations we located four distinct folding transitions for a 39-residue ββαβ protein fold. To characterize the nature of each room temperature transition, we calculated the probability of transmission for 500 points along each free energy barrier. We introduced a method for determining transition states by employing the transmission probability, Ptrans, and determined which conformations were transition state ensemble members (Ptrans ≈ 0.5). The transmission probability may be used to characterize the barrier in several ways. For example, we ran simulations at 82°C, determined the change in Ptrans with temperature for all 2,000 conformations, and quantified Hammond behavior directly using Ptrans correlation. Additionally, we propose that diffusion along Ptrans may provide the configurational diffusion rate at the top of the barrier. Specifically, given a transition state conformation x0 with estimated Ptrans = 0.5, we selected a large set of subsequent conformations from independent trajectories, each exactly a small time δt after x0 (250 ps). Calculating Ptrans for the new trial conformations, we generated the P(Ptrans|δt = 250 ps) distribution that reflected diffusion. This approach provides a novel perspective on the diffusive nature of a protein folding transition and provides a framework for a quantitative study of activated relaxation kinetics. PMID:16617068

4. United States Civil Space Policy: Summary of a Workshop

NASA Technical Reports Server (NTRS)

2008-01-01

What are the principal purposes, goals, and priorities of the U.S. civil space program? This question was the focus of the workshop on civil space policy held November 29-30, 2007, by the Space Studies Board (SSB) and the Aeronautics and Space Engineering Board (ASEB) of the National Research Council (NRC). In addressing this question, invited speakers and panelists and the general discussion from this public workshop explored a series of topics, including the following: (1) Key changes and developments in the U.S. civil space program since the new national Vision for Space Exploration2 (the Vision) was articulated by the executive branch in 2004; (2) The fit of space exploration within a broader national and international context; (3) Affordability, public interest, and political will to sustain the civil space program; (4) Definitions, metrics, and decision criteria for the mix and balance of activities within the program portfolio; (5) Roles of government in Earth observations from space; and (6) Gaps in capabilities and infrastructure to support the program.

5. Noise-induced precursors of state transitions in the stochastic Wilson-cowan model.

PubMed

Negahbani, Ehsan; Steyn-Ross, D Alistair; Steyn-Ross, Moira L; Wilson, Marcus T; Sleigh, Jamie W

2015-01-01

The Wilson-Cowan neural field equations describe the dynamical behavior of a 1-D continuum of excitatory and inhibitory cortical neural aggregates, using a pair of coupled integro-differential equations. Here we use bifurcation theory and small-noise linear stochastics to study the range of a phase transitions-sudden qualitative changes in the state of a dynamical system emerging from a bifurcation-accessible to the Wilson-Cowan network. Specifically, we examine saddle-node, Hopf, Turing, and Turing-Hopf instabilities. We introduce stochasticity by adding small-amplitude spatio-temporal white noise, and analyze the resulting subthreshold fluctuations using an Ornstein-Uhlenbeck linearization. This analysis predicts divergent changes in correlation and spectral characteristics of neural activity during close approach to bifurcation from below. We validate these theoretical predictions using numerical simulations. The results demonstrate the role of noise in the emergence of critically slowed precursors in both space and time, and suggest that these early-warning signals are a universal feature of a neural system close to bifurcation. In particular, these precursor signals are likely to have neurobiological significance as early warnings of impending state change in the cortex. We support this claim with an analysis of the in vitro local field potentials recorded from slices of mouse-brain tissue. We show that in the period leading up to emergence of spontaneous seizure-like events, the mouse field potentials show a characteristic spectral focusing toward lower frequencies concomitant with a growth in fluctuation variance, consistent with critical slowing near a bifurcation point. This observation of biological criticality has clear implications regarding the feasibility of seizure prediction. PMID:25859420

6. Using dark states for exciton storage in transition-metal dichalcogenides.

PubMed

Tseng, Frank; Simsek, Ergun; Gunlycke, Daniel

2016-01-27

We explore the possibility of storing excitons in excitonic dark states in monolayer semiconducting transition-metal dichalcogenides. In addition to being optically inactive, these dark states require the electron and hole to be spatially separated, thus inhibiting electron/hole recombination and allowing exciton lifetimes to be extended. Based on an atomistic exciton model, we derive transition matrix elements and an approximate selection rule showing that excitons could be transitioned into and out of dark states using a pulsed infrared laser. For illustration, we also present exciton population scenarios based on a population analysis for different recombination decay constants. Longer exciton lifetimes could make these materials candidates for applications in energy management and quantum information processing. PMID:26704568

7. Transition State Analogues of Purine Nucleoside Phosphorylase: the Work of Vernon L. Schramm

PubMed Central

Kresge, Nicole; Simoni, Robert D.; Hill, Robert L.

2010-01-01

Transition State Analogue Inhibitors of Purine Nucleoside Phosphorylase from Plasmodium falciparum (Kicska, G. A., Tyler, P. C., Evans, G. B., Furneaux, R. H., Kim, K., and Schramm, V. L. (2002) J. Biol. Chem. 277, 3219–3225) Purine-less Death in Plasmodium falciparum Induced by Immucillin-H, a Transition State Analogue of Purine Nucleoside Phosphorylase (Kicska, G. A., Tyler, P. C., Evans, G. B., Furneaux, R. H., Schramm, V. L., and Kim, K. (2002) J. Biol. Chem. 277, 3226–3231) Achieving the Ultimate Physiological Goal in Transition State Analogue Inhibitors for Purine Nucleoside Phosphorylase (Lewandowicz, A., Tyler, P. C., Evans, G. B., Furneaux, R. H., and Schramm, V. L. (2003) J. Biol. Chem. 278, 31465–31468)

8. Quantum transition state dynamics of the cyclooctatetraene unimolecular reaction on ab initio potential energy surfaces

Tokizaki, Chihiro; Yoshida, Takahiko; Takayanagi, Toshiyuki

2016-05-01

The cyclooctatetraene (COT) anion has a stable D4h structure that is similar to the transition state configurations of the neutral C-C bond-alternation (D4h ↔ D8h ↔ D4h) and ring-inversion (D2d ↔ D4h ↔ D2d) unimolecular reactions. The previously measured photodetachment spectrum of COT- revealed the reaction dynamics in the vicinity of the two transition states on the neutral potential energy surface. In this work, the photodetachment spectrum is calculated quantum mechanically on ab initio-level potential energy surfaces within a three degree-of-freedom reduced-dimensionality model. Very good agreement has been obtained between theory and experiment, providing reliable interpretations for the experimental spectrum. A detailed picture of the reactive molecular dynamics of the COT unimolecular reaction in the transition state region is also discussed.

9. Laser frequency stabilization to excited state transitions using electromagnetically induced transparency in a cascade system

SciTech Connect

Abel, R. P.; Mohapatra, A. K.; Bason, M. G.; Pritchard, J. D.; Weatherill, K. J.; Raitzsch, U.; Adams, C. S.

2009-02-16

We demonstrate laser frequency stabilization to excited state transitions using cascade electromagnetically induced transparency. Using a room temperature Rb vapor cell as a reference, we stabilize a first diode laser to the D{sub 2} transition and a second laser to a transition from the intermediate 5P{sub 3/2} state to a highly excited state with principal quantum number n=19-70. A combined laser linewidth of 280{+-}50 kHz over a 100 {mu}s time period is achieved. This method may be applied generally to any cascade system and allows laser stabilization to an atomic reference in the absence of a direct absorption signal.

10. Transition States for Submerged Superhydrophobic Surfaces: Partially-Pinned Air-Water Interface

Tafreshi, Hooman; Hemeda, Ahmed; VCU Team

2015-11-01

The pressure at which a superhydrophobic surface transitions from the Cassie state to the Wenzel state is often referred to as the critical pressure. Our mathematical simulations have shown that the Cassie-to-Wenzel transition is a gradual process that takes place over a range of pressures as oppose to an event that happens at a certain pressure. During the transition period, the air-water interface may go through a series pinned, partially-pinned, and de-pinned states that depend on the geometry of the surface asperities. This in turn indicates that the drag-reduction effect produced by a submerged superhydrophobic surface can vary with the hydrostatic pressure, and is highly dependent on sharpness of the surface asperities. The study reported here reviews our recent discoveries in simulating the wetted area and drag reduction effect of superhydrophobic surfaces with different microstructures. National Science Foundation CMM 1029924 and CBET 1402655 programs.

11. Transition Marshall Space Flight Center Wind Profiler Splicing Algorithm to Launch Services Program Upper Winds Tool

NASA Technical Reports Server (NTRS)

Bauman, William H., III

2014-01-01

NASAs LSP customers and the future SLS program rely on observations of upper-level winds for steering, loads, and trajectory calculations for the launch vehicles flight. On the day of launch, the 45th Weather Squadron (45 WS) Launch Weather Officers (LWOs) monitor the upper-level winds and provide forecasts to the launch team via the AMU-developed LSP Upper Winds tool for launches at Kennedy Space Center (KSC) and Cape Canaveral Air Force Station. This tool displays wind speed and direction profiles from rawinsondes released during launch operations, the 45th Space Wing 915-MHz Doppler Radar Wind Profilers (DRWPs) and KSC 50-MHz DRWP, and output from numerical weather prediction models.The goal of this task was to splice the wind speed and direction profiles from the 45th Space Wing (45 SW) 915-MHz Doppler radar Wind Profilers (DRWPs) and KSC 50-MHz DRWP at altitudes where the wind profiles overlap to create a smooth profile. In the first version of the LSP Upper Winds tool, the top of the 915-MHz DRWP wind profile and the bottom of the 50-MHz DRWP were not spliced, sometimes creating a discontinuity in the profile. The Marshall Space Flight Center (MSFC) Natural Environments Branch (NE) created algorithms to splice the wind profiles from the two sensors to generate an archive of vertically complete wind profiles for the SLS program. The AMU worked with MSFC NE personnel to implement these algorithms in the LSP Upper Winds tool to provide a continuous spliced wind profile.The AMU transitioned the MSFC NE algorithms to interpolate and fill data gaps in the data, implement a Gaussian weighting function to produce 50-m altitude intervals in each sensor, and splice the data together from both DRWPs. They did so by porting the MSFC NE code written with MATLAB software into Microsoft Excel Visual Basic for Applications (VBA). After testing the new algorithms in stand-alone VBA modules, the AMU replaced the existing VBA code in the LSP Upper Winds tool with the new

12. Microwave Transitions Between Pair States Composed of Two rb Rydberg Atoms

Lee, Jeonghun; Gallagher, Tom

2015-06-01

Microwave transitions between pair states composed of two Rb Rydberg atoms in a magneto-optical trap are investigated. Our current interest is the transition from ndnd to (n+1)d(n-2)f states. This transition is allowed because the dipole-dipole induced configuration interaction between the ndnd state and the energetically close (n+2)p(n-2)f state admixes some of the latter state into the former. The resonance frequencies of the ndnd-(n+1)d(n-2)f transitions for n=35 to 42 have been measured and found to agree well with the calculated values. In addition, the power shifts of the resonance frequencies have been measured for n=35 to 42. The dependence of the fractional population transfer from the ndnd to (n+1)d(n-2)f states on the microwave field strength and atomic density has been measured and can be compared to a simple theoretical model. This work has been supported by the Air Force Office of Scientific Research.

13. Microwave transitions between pair states composed of two Rb Rydberg atoms

Lee, Jeonghun; Gallagher, Tom

2015-05-01

Microwave transitions between pair states composed of two Rb Rydberg atoms in a magneto-optical trap are investigated. Our current interest is the transition from ndnd to (n+1)d(n-2)f states. This transition is allowed because the dipole-dipole induced configuration interaction between the ndnd state and the energetically close (n+2)p(n-2)f state admixes some of the latter state into the former. The resonance frequencies of the ndnd-(n+1)d(n-2)f transitions for n = 35 to 42 have been measured and found to agree well with the calculated values. In addition, the power shifts of the resonance frequencies have been measured for n = 35 to 42. The dependence of the fractional population transfer from the ndnd to (n+1)d(n-2)f states on the microwave field strength and atomic density has been measured and can be compared to a simple theoretical model. This work has been supported by the Air Force Office of Scientific Research.

14. Tracking move-stop-move targets with state-dependent mode transition probabilities

Zhang, Shuo; Bar-Shalom, Yaakov

2009-08-01

This paper presents a novel method for tracking ground moving targets with a GMTI radar. To avoid detection by the GMTI radar, targets can deliberately stop for some time before moving again. The GMTI radar does not detect a target when the radial velocity (along the line-of-sight from the sensor) falls below a certain minimum detectable velocity (MDV). We develop a new approach by using state-dependent mode transition probabilities to track move-stop-move targets. Since in a real scenario, the maximum deceleration is always limited, a target can not switch to the stopped-target model from a high speed. Therefore, with the use of the stopped-target model, the Markov chain of the mode switching has jump probabilities that depend on the target's kinematic state. A mode transition matrix with zero jump probabilities to the stopped-target mode is used when the speed is above a certain "stopping" limit (above which the target cannot stop in one sampling interval, designated as "fast stage") and another transition matrix with non-zero jump probabilities to the stopped-target mode is used when the speed is below this limit (designated as "slow stage"). The stage probabilities are calculated using the kinematic state statistics from the IMM estimator and then used to combine the state-dependent mode transition probabilities (SDP) in the two different transition matrices. The experimental results show that the proposed algorithm outperforms previous methods.

15. Solving the inverse Ising problem by mean-field methods in a clustered phase space with many states

Decelle, Aurélien; Ricci-Tersenghi, Federico

2016-07-01

In this work we explain how to properly use mean-field methods to solve the inverse Ising problem when the phase space is clustered, that is, many states are present. The clustering of the phase space can occur for many reasons, e.g., when a system undergoes a phase transition, but also when data are collected in different regimes (e.g., quiescent and spiking regimes in neural networks). Mean-field methods for the inverse Ising problem are typically used without taking into account the eventual clustered structure of the input configurations and may lead to very poor inference (e.g., in the low-temperature phase of the Curie-Weiss model). In this work we explain how to modify mean-field approaches when the phase space is clustered and we illustrate the effectiveness of our method on different clustered structures (low-temperature phases of Curie-Weiss and Hopfield models).

16. Solving the inverse Ising problem by mean-field methods in a clustered phase space with many states.

PubMed

Decelle, Aurélien; Ricci-Tersenghi, Federico

2016-07-01

In this work we explain how to properly use mean-field methods to solve the inverse Ising problem when the phase space is clustered, that is, many states are present. The clustering of the phase space can occur for many reasons, e.g., when a system undergoes a phase transition, but also when data are collected in different regimes (e.g., quiescent and spiking regimes in neural networks). Mean-field methods for the inverse Ising problem are typically used without taking into account the eventual clustered structure of the input configurations and may lead to very poor inference (e.g., in the low-temperature phase of the Curie-Weiss model). In this work we explain how to modify mean-field approaches when the phase space is clustered and we illustrate the effectiveness of our method on different clustered structures (low-temperature phases of Curie-Weiss and Hopfield models). PMID:27575082

17. Transition between different quantum states in a mesoscopic system: The superconducting ring

SciTech Connect

Horane, E.M.; Castro, J.I.; Buscaglia, G.C.; Lopez, A.

1996-04-01

We investigate the thermodynamic properties of a superconducting ring, both analytically and numerically, relying upon the Ginzburg-Landau theory. We find that modulated solutions for the order parameter play a role in describing the thermodynamic transitions between consecutive modes of uniform order parameter, associated with different quantum numbers. Exact expressions for these solutions are given in terms of elliptic functions. We identify the family of energy extrema which, being saddle points of the energy in the functional space of the distributions of the order parameter, represent the energy barrier to be overcome for transitions between different solutions. {copyright} {ital 1996 The American Physical Society.}

18. Non-local Optical Topological Transitions and Critical States in Electromagnetic Metamaterials

Ishii, Satoshi; Narimanov, Evgenii

2015-12-01

Just as the topology of the Fermi surface defines the properties of the free electrons in metals and semiconductors, the geometry of the iso-frequency surface in the phase space of the propagating electromagnetic waves, determines the optical properties of the corresponding optical materials. Furthermore, in the direct analog to the Lifshitz transition in condensed matter physics, a change in the topology of iso-frequency surface has a dramatic effect on the emission, propagation and scattering of the electromagnetic waves. Here, we uncover a new class of such optical topological transitions in metamaterials, induced by the non-locality of the electromagnetic response inherent to these composites.

19. Non-local Optical Topological Transitions and Critical States in Electromagnetic Metamaterials

PubMed Central

Ishii, Satoshi; Narimanov, Evgenii

2015-01-01

Just as the topology of the Fermi surface defines the properties of the free electrons in metals and semiconductors, the geometry of the iso-frequency surface in the phase space of the propagating electromagnetic waves, determines the optical properties of the corresponding optical materials. Furthermore, in the direct analog to the Lifshitz transition in condensed matter physics, a change in the topology of iso-frequency surface has a dramatic effect on the emission, propagation and scattering of the electromagnetic waves. Here, we uncover a new class of such optical topological transitions in metamaterials, induced by the non-locality of the electromagnetic response inherent to these composites. PMID:26670600

20. Non-local Optical Topological Transitions and Critical States in Electromagnetic Metamaterials.

PubMed

Ishii, Satoshi; Narimanov, Evgenii

2015-01-01

Just as the topology of the Fermi surface defines the properties of the free electrons in metals and semiconductors, the geometry of the iso-frequency surface in the phase space of the propagating electromagnetic waves, determines the optical properties of the corresponding optical materials. Furthermore, in the direct analog to the Lifshitz transition in condensed matter physics, a change in the topology of iso-frequency surface has a dramatic effect on the emission, propagation and scattering of the electromagnetic waves. Here, we uncover a new class of such optical topological transitions in metamaterials, induced by the non-locality of the electromagnetic response inherent to these composites. PMID:26670600

1. Transition state for the NSD2-catalyzed methylation of histone H3 lysine 36.

PubMed

Poulin, Myles B; Schneck, Jessica L; Matico, Rosalie E; McDevitt, Patrick J; Huddleston, Michael J; Hou, Wangfang; Johnson, Neil W; Thrall, Sara H; Meek, Thomas D; Schramm, Vern L

2016-02-01

Nuclear receptor SET domain containing protein 2 (NSD2) catalyzes the methylation of histone H3 lysine 36 (H3K36). It is a determinant in Wolf-Hirschhorn syndrome and is overexpressed in human multiple myeloma. Despite the relevance of NSD2 to cancer, there are no potent, selective inhibitors of this enzyme reported. Here, a combination of kinetic isotope effect measurements and quantum chemical modeling was used to provide subangstrom details of the transition state structure for NSD2 enzymatic activity. Kinetic isotope effects were measured for the methylation of isolated HeLa cell nucleosomes by NSD2. NSD2 preferentially catalyzes the dimethylation of H3K36 along with a reduced preference for H3K36 monomethylation. Primary Me-(14)C and (36)S and secondary Me-(3)H3, Me-(2)H3, 5'-(14)C, and 5'-(3)H2 kinetic isotope effects were measured for the methylation of H3K36 using specifically labeled S-adenosyl-l-methionine. The intrinsic kinetic isotope effects were used as boundary constraints for quantum mechanical calculations for the NSD2 transition state. The experimental and calculated kinetic isotope effects are consistent with an SN2 chemical mechanism with methyl transfer as the first irreversible chemical step in the reaction mechanism. The transition state is a late, asymmetric nucleophilic displacement with bond separation from the leaving group at (2.53 Å) and bond making to the attacking nucleophile (2.10 Å) advanced at the transition state. The transition state structure can be represented in a molecular electrostatic potential map to guide the design of inhibitors that mimic the transition state geometry and charge. PMID:26787850

2. Transition state for the NSD2-catalyzed methylation of histone H3 lysine 36

PubMed Central

Poulin, Myles B.; Schneck, Jessica L.; Matico, Rosalie E.; McDevitt, Patrick J.; Huddleston, Michael J.; Hou, Wangfang; Johnson, Neil W.; Thrall, Sara H.; Meek, Thomas D.; Schramm, Vern L.

2016-01-01

Nuclear receptor SET domain containing protein 2 (NSD2) catalyzes the methylation of histone H3 lysine 36 (H3K36). It is a determinant in Wolf–Hirschhorn syndrome and is overexpressed in human multiple myeloma. Despite the relevance of NSD2 to cancer, there are no potent, selective inhibitors of this enzyme reported. Here, a combination of kinetic isotope effect measurements and quantum chemical modeling was used to provide subangstrom details of the transition state structure for NSD2 enzymatic activity. Kinetic isotope effects were measured for the methylation of isolated HeLa cell nucleosomes by NSD2. NSD2 preferentially catalyzes the dimethylation of H3K36 along with a reduced preference for H3K36 monomethylation. Primary Me-14C and 36S and secondary Me-3H3, Me-2H3, 5′-14C, and 5′-3H2 kinetic isotope effects were measured for the methylation of H3K36 using specifically labeled S-adenosyl-l-methionine. The intrinsic kinetic isotope effects were used as boundary constraints for quantum mechanical calculations for the NSD2 transition state. The experimental and calculated kinetic isotope effects are consistent with an SN2 chemical mechanism with methyl transfer as the first irreversible chemical step in the reaction mechanism. The transition state is a late, asymmetric nucleophilic displacement with bond separation from the leaving group at (2.53 Å) and bond making to the attacking nucleophile (2.10 Å) advanced at the transition state. The transition state structure can be represented in a molecular electrostatic potential map to guide the design of inhibitors that mimic the transition state geometry and charge. PMID:26787850

3. United States Civil Space Policy: Summary of a Workshop

MacAuley, Molly K.; Alexander, Joseph K.; National Research Council

In 2004, the NRC released a workshop report about the future direction of the U.S. civil space program. At the same time, the Administration announced the Vision for Space Exploration, and in June 2004, it issued a report that articulated a balanced space program for human and robotic exploration and science. Subsequent NRC reports, however, have noted that NASA has not been given the resources to carry out this broad-based program. This challenge, along with others faced by the U.S. civil space program, stimulated the NRC to form an ad hoc committee to organize a second workshop, held in November 2007, to address the space program's future directions. The workshop's goal was to air a range of views and perspectives so as to inform discussions of these questions by policymakers and the public. This book presents a summary of the workshop.

4. Deep Space Habitat Concept of Operations for Extended Duration Transit Missions

NASA Technical Reports Server (NTRS)

Hoffman, Stephen J.; Toups, Larry

2012-01-01

NASA's Capability-Driven Framework (CDF) describes an approach for progressively extending human exploration missions farther into the Solar System for longer periods of time as allowed by developments in technology and spacecraft systems. Within this framework design reference missions (DRMs) targeted for several specific destinations are being used to assess different combinations of vehicles, operations, and advanced technologies to help understand which combination will best support expanded human exploration both efficiently and sustainably. Several of the identified destinations have been found to require missions with a round trip duration exceeding one year. These mission durations exceed the capabilities of current human-rated spacecraft if resupply from Earth is not possible. This makes the design of an efficient and reliable Deep Space Habitat (DSH) critical for reaching these destinations. The paper will describe the current understanding of DSH capabilities and functions that must be exhibited by any future habitat design for these missions. This description of the DSH is presented in the form of a concept of operation, which focuses on the functions that any DSH must provide, as opposed to a specific DSH design concept. Development of a concept of operations, based on DRM features, provides a common basis for assessing the viability of design concepts incorporating differing configurations and technologies. A study team with representation from several NASA Centers and relevant engineering and scientific disciplines collaborated to develop this DSH concept of operations for the transit phases of these missions. The transit phase of a mission is defined as the time after leaving Earth but before arrival at the destination and the time after leaving the destination but before arriving back at Earth. These transit phases were found to have many common features across all of the destinations being assessed for the CDF and thus arguing for a common concept

5. An Analytical State Transition Matrix for Orbits Perturbed by an Oblate Spheroid

NASA Technical Reports Server (NTRS)

Mueller, A. C.

1977-01-01

An analytical state transition matrix and its inverse, which include the short period and secular effects of the second zonal harmonic, were developed from the nonsingular PS satellite theory. The fact that the independent variable in the PS theory is not time is in no respect disadvantageous, since any explicit analytical solution must be expressed in the true or eccentric anomaly. This is shown to be the case for the simple conic matrix. The PS theory allows for a concise, accurate, and algorithmically simple state transition matrix. The improvement over the conic matrix ranges from 2 to 4 digits accuracy.

6. Experimental investigation of a steady-state dynamical phase transition in a Jaynes-Cummings dimer

Raftery, James; Sadri, Darius; Mandt, Stephan; Tureci, Hakan; Houck, Andrew

Experimental progress in circuit-QED has made it possible to study non-equilibrium many-body physics using strongly correlated photons. Such open and driven systems can display new types of dynamical phase transitions. A steady state transition has also been predicted for a Jaynes-Cummings dimer where the photon current between the two cavities acts as an order parameter. Here, we discuss the theory and report measurements of the steady-state behavior of a circuit-QED dimer with in situ tunable inter-cavity coupling and on-site photon-photon interaction. Recently deceased.

7. Probing the transition state via photoelectron and photodetachment spectroscopy of H3O−

PubMed Central

Zhang, Dong H.; Yang, Minghui; Collins, Michael A.; Lee, Soo-Y.

2002-01-01

The H3O− anion has stable and metastable structures that resemble configurations in the vicinity of the transition state for the neutral reactions OH + H2 ↔ H2O + H. Photoelectron spectroscopy of this anion probes the neutral reaction dynamics in the critical transition-state region. Accurate quantum dynamics calculations of the photoelectron intensity and photodissociation product energies are shown to provide a quantitatively reliable means of interpreting such experimental observations and reveal a detailed picture of the reaction dynamics. PMID:12186977

8. Lifetime measurements and dipole transition rates for superdeformed states in {sup 190}Hg.

SciTech Connect

Amro, H.

1999-03-24

The Doppler-shift attenuation method was used to measure life-times of superdeformed (SD) states for both the yrast and the first excited superdeformed band of {sup 190}Hg. Intrinsic quadruple moments Q{sub 0} were extracted. For the first time, the dipole transition rates have been extracted for the inter-band transitions which connect the excited SD band to the yrast states in the second minimum. The results support the interpretation of the excited SD band as a rotational band built on an octupole vibration.

9. Points of Transition: Understanding the Constructed Identities of L2 Learners/Users across Time and Space

ERIC Educational Resources Information Center

2012-01-01

Using sociocultural and poststructuralist theoretical lenses, this study examines the narrative construction of language-learner identity across time and space. We applied cross-narrative methodologies to analyze language-learning autobiographies and interview data from three English users who had recently transitioned to a U.S. context for…

10. Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets

SciTech Connect

Zhao, Bin; Sun, Zhigang E-mail: hguo@unm.edu; Guo, Hua E-mail: hguo@unm.edu

2014-06-21

A recently proposed transition-state wave packet method [R. Welsch, F. Huarte-Larrañaga, and U. Manthe, J. Chem. Phys. 136, 064117 (2012)] provides an efficient and intuitive framework to study reactive quantum scattering at the state-to-state level. It propagates a few transition-state wave packets, defined by the eigenfunctions of the low-rank thermal flux operator located near the transition state, into the asymptotic regions of the reactant and product arrangement channels separately using the corresponding Jacobi coordinates. The entire S-matrix can then be assembled from the corresponding flux-flux cross-correlation functions for all arrangement channels. Since the transition-state wave packets can be defined in a relatively small region, its transformation into either the reactant or product Jacobi coordinates is accurate and efficient. Furthermore, the grid/basis for the propagation, including the maximum helicity quantum number K, is much smaller than that required in conventional wave packet treatments of state-to-state reactive scattering. This approach is implemented for atom-diatom reactions using a time-dependent wave packet method and applied to the H + D{sub 2} reaction with all partial waves. Excellent agreement with benchmark integral and differential cross sections is achieved.

11. A novel key-lock mechanism for inactivating amino acid neurotransmitters during transit across extracellular space.

PubMed

Baslow, Morris H

2010-01-01

There are two kinds of neurotransmissions that occur in brain. One is neuron to neuron at synapses, and the other is neuron to glia via extracellular fluid (ECF), both of which are important for maintenance of proper neuronal functioning. For neuron to neuron communications, several potent amino acid neurotransmitters are used within the confines of synaptic space. However, their presence at elevated concentrations in extra-synaptic space could be detrimental to well organized neuronal functioning. The significance of the synthesis and release of N-acetylaspartylglutamate (NAAG) by neurons has long been a puzzle since glutamate (Glu) itself is the "key" that can interact with all Glu receptors on membranes of all cells. Nonetheless, neurons synthesize this acetylated dipeptide, which cannot be catabolized by neurons, and release it to ECF where its specific physiological target is the Glu metabotropic receptor 3 on the surface of astrocytes. Since Glu is excitotoxic at elevated concentrations, it is proposed that formation and release of NAAG by neurons allows large quantities of Glu to be transported in ECF without the risk of injurious excitotoxic effects. The metabolic mechanism used by neurons is a key-lock system to detoxify Glu during its intercellular transit. This is accomplished by first synthesizing N-acetylaspartate (NAA), and then joining this molecule via a peptide bond to Glu. In this paper, a hypothesis is presented that neurons synthesize a variety of relatively nontoxic peptides and peptide derivatives, including NAA, NAAG, homocarnosine (gamma-aminobutyrylhistidine) and carnosine (beta-alanylhistidine) from potent excitatory and inhibitory amino acids for the purpose of releasing them to ECF to function as cell-specific neuron-to-glia neurotransmitters. PMID:19151913

12. Robotics technology developments in the United States space telerobotics program

NASA Technical Reports Server (NTRS)

Lavery, David

1994-01-01

In the same way that the launch of Yuri Gagarin in April 1961 announced the beginning of human space flight, last year's flight of the German ROTEX robot flight experiment is heralding the start of a new era of space robotics. After a gap of twelve years since the introduction of a new capability in space remote manipulation, ROTEX is the first of at least ten new robotic systems and experiments which will fly before the year 2000. As a result of redefining the development approach for space robotic systems, and capitalizing on opportunities associated with the assembly and maintenance of the space station, the space robotics community is preparing a whole new generation of operational robotic capabilities. Expanding on the capabilities of earlier manipulation systems such as the Viking and Surveyor soil scoops, the Russian Lunakhods, and the Shuttle Remote Manipulator System (RMS), these new space robots will augment astronaut on-orbit capabilities and extend virtual human presence to lunar and planetary surfaces.

13. Characterizing metastable states beyond energies and lifetimes: Dyson orbitals and transition dipole moments

Jagau, Thomas-C.; Krylov, Anna I.

2016-02-01

The theoretical description of electronic resonances is extended beyond calculations of energies and lifetimes. We present the formalism for calculating Dyson orbitals and transition dipole moments within the equation-of-motion coupled-cluster singles and doubles method for electron-attached states augmented by a complex absorbing potential (CAP-EOM-EA-CCSD). The capabilities of the new methodology are illustrated by calculations of Dyson orbitals of various transient anions. We also present calculations of transition dipole moments between transient and stable anionic states as well as between different transient states. Dyson orbitals characterize the differences between the initial neutral and final electron-attached states without invoking the mean-field approximation. By extending the molecular-orbital description to correlated many-electron wave functions, they deliver qualitative insights into the character of resonance states. Dyson orbitals and transition moments are also needed for calculating experimental observables such as spectra and cross sections. Physically meaningful results for those quantities are obtained only in the framework of non-Hermitian quantum mechanics, e.g., in the presence of a complex absorbing potential (CAP), when studying resonances. We investigate the dependence of Dyson orbitals and transition moments on the CAP strength and illustrate how Dyson orbitals help understand the properties of metastable species and how they are affected by replacing the usual scalar product by the so-called c-product.

14. State-space receptive fields of semicircular canal afferent neurons in the bullfrog

NASA Technical Reports Server (NTRS)

Paulin, M. G.; Hoffman, L. F.

2001-01-01

Receptive fields are commonly used to describe spatial characteristics of sensory neuron responses. They can be extended to characterize temporal or dynamical aspects by mapping neural responses in dynamical state spaces. The state-space receptive field of a neuron is the probability distribution of the dynamical state of the stimulus-generating system conditioned upon the occurrence of a spike. We have computed state-space receptive fields for semicircular canal afferent neurons in the bullfrog (Rana catesbeiana). We recorded spike times during broad-band Gaussian noise rotational velocity stimuli, computed the frequency distribution of head states at spike times, and normalized these to obtain conditional pdfs for the state. These state-space receptive fields quantify what the brain can deduce about the dynamical state of the head when a single spike arrives from the periphery. c2001 Elsevier Science B.V. All rights reserved.

15. Transit apps for people with brain injury and other cognitive disabilities: the state of the art.

PubMed

Livingstone-Lee, Sharon A; Skelton, Ronald W; Livingston, Nigel

2014-01-01

Individuals with cognitive disability have difficulty using public transit, but little research is directed toward this issue. Recent studies suggest that smartphones may be useful assistive devices in this context. Current objectives were to (1) survey research into difficulties people with cognitive disabilities experience when using public transit, (2) survey the current state of the art of transit and personal navigation applications (apps) and features, (3) recommend best existing transit apps for people with cognitive disability, and (4) recommend the best designs and features of these apps to developers of future transit apps. Potentially useful features were found in four categories: Transit apps for (1) individuals with cognitive disabilities and (2) healthy individuals, and personal navigation apps for (3) individuals with cognitive disabilities and (4) healthy individuals. A total of 159 apps were examined, but only seven were found specific to public transit for cognitive disability. By comparing research recommendations and currently available features, we identified several unmet needs. We note that there appears to be a shortage of apps for this population-function but that there is good research in the area and it is well suited to inform app development. PMID:25771606

16. Transit spectroscopy of exoplanets from space: how to optimize the wavelength coverage and spectral resolving power

Encrenaz, T.; Tinetti, G.; Tessenyi, M.; Drossart, P.; Hartogh, P.; Coustenis, A.

2015-12-01

The study of exoplanets is an exploding field in astronomy. Recent discoveries have made possible the development of a new research field, the spectroscopic characterization of the exoplanetary atmospheres, using both primary and eclipse transits. A dedicated space mission will make possible the characterization of many classes of exoplanets, from the hot Jupiters to the temperate super-Earths. In this paper, we discuss how the spectral range and the spectral resolving power can be optimized for identifying a maximum number of candidate atmospheric species. Spectral modeling shows that the simultaneous observation of the whole spectral range, from 0.55 to 16 μm is ideal for (1) capturing all types of planets at different temperatures, (2) detecting the variety of chemical atmospheric compounds with some redundancy, and (3) enabling an optimal retrieval of the chemical abundances and thermal profile. Limiting the spectral interval to 11 μm would make the retrieval more difficult in the case of cold exoplanets. In the visible range, the extension down to 0.4 s at different temperatures, (2) detecting the variety of chemical atmospheric compounds with some redundancy, and (3) enabling an optimal retrieval of the chemical abundances andst candidate molecules.

17. Distinct large-scale turbulent-laminar states in transitional pipe flow.

PubMed

Moxey, David; Barkley, Dwight

2010-05-01

When fluid flows through a channel, pipe, or duct, there are two basic forms of motion: smooth laminar motion and complex turbulent motion. The discontinuous transition between these states is a fundamental problem that has been studied for more than 100 yr. What has received far less attention is the large-scale nature of the turbulent flows near transition once they are established. We have carried out extensive numerical computations in pipes of variable lengths up to 125 diameters to investigate the nature of transitional turbulence in pipe flow. We show the existence of three fundamentally different turbulent states separated by two distinct Reynolds numbers. Below Re (1) approximately equal 2,300, turbulence takes the form of familiar equilibrium (or longtime transient) puffs that are spatially localized and keep their size independent of pipe length. At Re (1) the flow makes a striking transition to a spatio-temporally intermittent flow that fills the pipe. Irregular alternation of turbulent and laminar regions is inherent and does not result from random disturbances. The fraction of turbulence increases with Re until Re (2) approximately equal 2,600 where there is a continuous transition to a state of uniform turbulence along the pipe. We relate these observations to directed percolation and argue that Re (1) marks the onset of infinite-lifetime turbulence. PMID:20404193

18. Functional Rearrangement of the Light-Harvesting Antenna upon State Transitions in a Green Alga

PubMed Central

Wlodarczyk, Lucyna M.; Snellenburg, Joris J.; Ihalainen, Janne A.; van Grondelle, Rienk; van Stokkum, Ivo H.M.; Dekker, Jan P.

2015-01-01

State transitions in the green alga Chlamydomonas reinhardtii serve to balance excitation energy transfer to photosystem I (PSI) and to photosystem II (PSII) and possibly play a role as a photoprotective mechanism. Thus, light-harvesting complex II (LHCII) can switch between the photosystems consequently transferring more excitation energy to PSII (state 1) or to PSI (state 2) or can end up in LHCII-only domains. In this study, low-temperature (77 K) steady-state and time-resolved fluorescence measured on intact cells of Chlamydomonas reinhardtii shows that independently of the state excitation energy transfer from LHCII to PSI or to PSII occurs on two main timescales of <15 ps and ∼100 ps. Moreover, in state 1 almost all LHCIIs are functionally connected to PSII, whereas the transition from state 1 to a state 2 chemically locked by 0.1 M sodium fluoride leads to an almost complete functional release of LHCIIs from PSII. About 2/3 of the released LHCIIs transfer energy to PSI and ∼1/3 of the released LHCIIs form a component designated X-685 peaking at 685 nm that decays with time constants of 0.28 and 5.8 ns and does not transfer energy to PSI or to PSII. A less complete state 2 was obtained in cells incubated under anaerobic conditions without chemical locking. In this state about half of all LHCIIs remained functionally connected to PSII, whereas the remaining half became functionally connected to PSI or formed X-685 in similar amounts as with chemical locking. We demonstrate that X-685 originates from LHCII domains not connected to a photosystem and that its presence introduces a change in the interpretation of 77 K steady-state fluorescence emission measured upon state transitions in Chalamydomonas reinhardtii. PMID:25606675

19. Spatial perspectives in state-and-transition models: A missing link to land management?

Technology Transfer Automated Retrieval System (TEKTRAN)

Conceptual models of alternative states and thresholds are based largely on observations of ecosystem processes at a few points in space. Because the distribution of alternative states in spatially-structured ecosystems is the result of variations in pattern-process interactions at different scales,...

20. State space neural networks for short term rainfall-runoff forecasting
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