Science.gov

Sample records for state space transitions

  1. Consciousness related neural events viewed as brain state space transitions

    PubMed Central

    2008-01-01

    This theoretical and speculative essay addresses a categorical distinction between neural events of sensory-motor cognition and those presumably associated with consciousness. It proposes to view this distinction in the framework of the branch of Statistical Physics currently referred to as Modern Critical Theory (Stanley, Introduction to phase transitions and critical phenomena, 1987; Marro and Dickman, Nonequilibrium phase transitions in lattice, 1999). Based on established landmarks of brain dynamics, network configurations and their role for conveying oscillatory activity of certain frequencies bands, the question is examined: what kind of state space transitions can systems with these properties undergo, and could the relation between neural processes of sensory-motor cognition and those of events in consciousness be of the same category as is characterized by state transitions in non-equilibrium physical systems? Approaches for empirical validation of this view by suitably designed brain imaging studies, and for computational simulations of the proposed principle are discussed. PMID:19003465

  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

    NASA Astrophysics Data System (ADS)

    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. Space Station transition through Spacelab

    NASA Technical Reports Server (NTRS)

    Craft, Harry G., Jr.; Wicks, Thomas G.

    1990-01-01

    It is appropriate that NASA's Office of Space Science and Application's science management structures and processes that have proven successful on Spacelab be applied and extrapolated to Space Station utilization, wherever practical. Spacelab has many similarities and complementary aspects to Space Station Freedom. An understanding of the similarities and differences between Spacelab and Space Station is necessary in order to understand how to transition from Spacelab to Space Station. These relationships are discussed herein as well as issues which must be dealt with and approaches for transition and evolution from Spacelab to Space Station.

  5. 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}.

  6. 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.

  7. Transition States and transition state analogue interactions with enzymes.

    PubMed

    Schramm, Vern L

    2015-04-21

    Enzymatic transition states have lifetimes of a few femtoseconds (fs). Computational analysis of enzyme motions leading to transition state formation suggests that local catalytic site motions on the fs time scale provide the mechanism to locate transition states. An experimental test of protein fs motion and its relation to transition state formation can be provided by isotopically heavy proteins. Heavy enzymes have predictable mass-altered bond vibration states without altered electrostatic properties, according to the Born-Oppenheimer approximation. On-enzyme chemistry is slowed in most heavy proteins, consistent with altered protein bond frequencies slowing the search for the transition state. In other heavy enzymes, structural changes involved in reactant binding and release are also influenced. Slow protein motions associated with substrate binding and catalytic site preorganization are essential to allow the subsequent fs motions to locate the transition state and to facilitate the efficient release of products. In the catalytically competent geometry, local groups move in stochastic atomic motion on the fs time scale, within transition state-accessible conformations created by slower protein motions. The fs time scale for the transition state motions does not permit thermodynamic equilibrium between the transition state and stable enzyme states. Isotopically heavy enzymes provide a diagnostic tool for fast coupled protein motions to transition state formation and mass-dependent conformational changes. The binding of transition state analogue inhibitors is the opposite in catalytic time scale to formation of the transition state but is related by similar geometries of the enzyme-transition state and enzyme-inhibitor interactions. While enzymatic transition states have lifetimes as short as 10(-15) s, transition state analogues can bind tightly to enzymes with release rates greater than 10(3) s. Tight-binding transition state analogues stabilize the rare but

  8. Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.

    PubMed

    Shen, Jun; Piecuch, Piotr

    2012-04-14

    We have recently suggested the CC(P;Q) methodology that can correct energies obtained in the active-space coupled-cluster (CC) or equation-of-motion (EOM) CC calculations, which recover much of the nondynamical and some dynamical electron correlation effects, for the higher-order, mostly dynamical, correlations missing in the active-space CC/EOMCC considerations. It is shown that one can greatly improve the description of biradical transition states, both in terms of the resulting energy barriers and total energies, by combining the CC approach with singles, doubles, and active-space triples, termed CCSDt, with the CC(P;Q)-style correction due to missing triple excitations defining the CC(t;3) approximation.

  9. 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.

  10. 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.

  11. 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.

  12. Spectroscopic characterization of isomerization transition states

    NASA Astrophysics Data System (ADS)

    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.

  13. 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

  14. 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.

  15. Transition state structures in solution

    SciTech Connect

    Bertran, J.; Lluch, J. M.; Gonzalez-Lafont, A.; Dillet, V.; Perez, V.

    1995-04-05

    In the present paper the location of transition state structures for reactions in solution has been studied. Continuum model calculations have been carried out on the Friedel-Crafts alkylation reaction and a proton transfer through a water molecule between two oxygen atoms in formic acid. In this model the separation between the chemical system and the solvent has been introduced. On the other hand, the discrete Monte Carlo methodology has also been used to simulate the solvent effect on dissociative electron transfer processes. In this model, the hypothesis of separability is not assumed. Finally, the validity of both approaches is discussed.

  16. Transition state structures in solution

    NASA Astrophysics Data System (ADS)

    Bertrán, J.; Lluch, J. M.; Gonzàlez-Lafont, A.; Dillet, V.; Pérez, V.

    1995-04-01

    In the present paper the location of transition state structures for reactions in solution has been studied. Continuum model calculations have been carried out on the Friedel-Crafts alkylation reaction and a proton transfer through a water molecule between two oxygen atoms in formic acid. In this model the separation between the chemical system and the solvent has been introduced. On the other hand, the discrete Monte Carlo methodology has also been used to simulate the solvent effect on dissociative electron transfer processes. In this model, the hypothesis of separability is not assumed. Finally, the validity of both approaches is discussed.

  17. 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.

  18. Evolution of a Transition State

    PubMed Central

    Miller, Stephen P.; Gonçalves, Susana; Matias, Pedro M.; Dean, Antony M.

    2015-01-01

    An active site lysine essential to catalysis in isocitrate dehydrogenase (IDH) is absent from related enzymes. As all family members catalyze the same oxidative β-decarboxylation at the 2R-malate core common to their substrates, it seems odd that an amino acid essential to one is not found in all. Ordinarily, hydride transfer to a nicotinamide C4 neutralizes the positive charge at N1 directly. In IDH the negatively charged C4-carboxylate of isocitrate stabilizes the ground state positive charge on the adjacent nicotinamide N1, opposing hydride transfer. The critical lysine is poised to stabilize – and perhaps even protonate – an oxyanion formed on the nicotinamide 3-carboxamide, thereby enabling the hydride to be transferred while the positive charge at N1 is maintained. IDH may catalyze the same overall reaction as other family members, but dehydrogenation proceeds through a distinct, though related, transition state. Partial activation of lysine mutants by K+ and NH4+ represents a throwback to the primordial state of the first substrate promiscuous family member. PMID:24797066

  19. 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.

  20. Gravitational phase transitions with an exclusion constraint in position space

    NASA Astrophysics Data System (ADS)

    Chavanis, Pierre-Henri

    2014-01-01

    We discuss the statistical mechanics of a system of self-gravitating particles with an exclusion constraint in position space in a space of dimension d. The exclusion constraint puts an upper bound on the density of the system and can stabilize it against gravitational collapse. We plot the caloric curves giving the temperature as a function of the energy and investigate the nature of phase transitions as a function of the size of the system and of the dimension of space in both microcanonical and canonical ensembles. We consider stable and metastable states and emphasize the importance of the latter for systems with long-range interactions. For d ≤ 2, there is no phase transition. For d > 2, phase transitions can take place between a "gaseous" phase unaffected by the exclusion constraint and a "condensed" phase dominated by this constraint. The condensed configurations have a core-halo structure made of a "rocky core" surrounded by an "atmosphere", similar to a giant gaseous planet. For large systems there exist microcanonical and canonical first order phase transitions. For intermediate systems, only canonical first order phase transitions are present. For small systems there is no phase transition at all. As a result, the phase diagram exhibits two critical points, one in each ensemble. There also exist a region of negative specific heats and a situation of ensemble inequivalence for sufficiently large systems. We show that a statistical equilibrium state exists for any values of energy and temperature in any dimension of space. This differs from the case of the self-gravitating Fermi gas for which there is no statistical equilibrium state at low energies and low temperatures when d ≥ 4. By a proper interpretation of the parameters, our results have application for the chemotaxis of bacterial populations in biology described by a generalized Keller-Segel model including an exclusion constraint in position space. They also describe colloids at a fluid

  1. Emitter space charge layer transit time in bipolar junction transistors

    NASA Astrophysics Data System (ADS)

    Rustagi, S. C.; Chattopadhyaya, S. K.

    1981-04-01

    The charge defined emitter space charge layer transit times of double diffused transistors have been calculated using a regional approach, and compared with the corresponding base transit times. The results obtained for emitter space-charge layer transit times have been discussed with reference to the capacitance analysis of Morgan and Smit (1960) for graded p-n junctions.

  2. 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.

  3. The Aromaticity of Pericyclic Reaction Transition States

    ERIC Educational Resources Information Center

    Rzepa, Henry S.

    2007-01-01

    An approach is presented that starts from two fundamental concepts in organic chemistry, chirality and aromaticity, and combines them into a simple rule for stating selection rules for pericyclic reactions in terms of achiral Huckel-aromatic and chiral Mobius-aromatic transition states. This is illustrated using an example that leads to apparent…

  4. 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...

  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 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

  7. Cassini State Transitions with a Fossil Figure

    NASA Astrophysics Data System (ADS)

    Matsuyama, Isamu; Tuttle Keane, James

    2016-10-01

    The Moon has experienced large obliquity variations during Cassini state transitions which greatly impact tidal heating, and the long-term stability of polar volatiles. It has been known for centuries that the lunar rotational and tidal bulges are much larger than expected. The South Pole-Aitken basin can explain a large fraction of the excess deformation. Accounting for the contribution of this basin (and other large basins), the remaining excess deformation arises due to a fossil figure established when the Moon orbited much closer to Earth than it does today. Previous studies assume that the present, excess deformation is entirely preserved throughout Cassini state transitions. This ignores basin contributions to the excess deformation, and requires an interior with infinite rigidity. We consider Cassini state transition models that take into account basin contributions to the excess deformation, and the effect of finite rigidity on the fossil figure.

  8. Decomposition of Gene Expression State Space Trajectories

    PubMed Central

    Mar, Jessica C.; Quackenbush, John

    2009-01-01

    Representing and analyzing complex networks remains a roadblock to creating dynamic network models of biological processes and pathways. The study of cell fate transitions can reveal much about the transcriptional regulatory programs that underlie these phenotypic changes and give rise to the coordinated patterns in expression changes that we observe. The application of gene expression state space trajectories to capture cell fate transitions at the genome-wide level is one approach currently used in the literature. In this paper, we analyze the gene expression dataset of Huang et al. (2005) which follows the differentiation of promyelocytes into neutrophil-like cells in the presence of inducers dimethyl sulfoxide and all-trans retinoic acid. Huang et al. (2005) build on the work of Kauffman (2004) who raised the attractor hypothesis, stating that cells exist in an expression landscape and their expression trajectories converge towards attractive sites in this landscape. We propose an alternative interpretation that explains this convergent behavior by recognizing that there are two types of processes participating in these cell fate transitions—core processes that include the specific differentiation pathways of promyelocytes to neutrophils, and transient processes that capture those pathways and responses specific to the inducer. Using functional enrichment analyses, specific biological examples and an analysis of the trajectories and their core and transient components we provide a validation of our hypothesis using the Huang et al. (2005) dataset. PMID:20041215

  9. 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.

  10. A Model of Mental State Transition Network

    NASA Astrophysics Data System (ADS)

    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. 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.

  12. 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

  13. 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

  14. Symmetry calculation for molecules and transition states.

    PubMed

    Vandewiele, Nick M; Van de Vijver, Ruben; Van Geem, Kevin M; Reyniers, Marie-Françoise; Marin, Guy B

    2015-01-30

    The symmetry of molecules and transition states of elementary reactions is an essential property with important implications for computational chemistry. The automated identification of symmetry by computers is a very useful tool for many applications, but often relies on the availability of three-dimensional coordinates of the atoms in the molecule and hence becomes less useful when these coordinates are a priori unavailable. This article presents a new algorithm that identifies symmetry of molecules and transition states based on an augmented graph representation of the corresponding structures, in which both topology and the presence of stereocenters are accounted for. The automorphism group order of the graph associated with the molecule or transition state is used as a starting point. A novel concept of label-stereoisomers, that is, stereoisomers that arise after labeling homomorph substituents in the original molecule so that they become distinguishable, is introduced and used to obtain the symmetry number. The algorithm is characterized by its generic nature and avoids the use of heuristic rules that would limit the applicability. The calculated symmetry numbers are in agreement with expected values for a large and diverse set of structures, ranging from asymmetric, small molecules such as fluorochlorobromomethane to highly symmetric structures found in drug discovery assays. The new algorithm opens up new possibilities for the fast screening of the degree of symmetry of large sets of molecules.

  15. Searching for transition paths in multidimensional space with a fixed repulsive bias potential

    NASA Astrophysics Data System (ADS)

    Trushin, O. S.; Salo, P.; Ala-Nissila, T.; Ying, S. C.

    2004-01-01

    An efficient method for searching for transition paths in a multidimensional configuration space is proposed. It is based on using a fixed, locally repulsive bias potential, which forces the system to move from a given initial state to a different final state. This simple method is very effective in determining nearby configurations and possible transition paths for many-particle systems. Once the approximate transition paths are known, the corresponding activation energies can be computed using, e.g., the nudged elastic band method. The usefulness of the present method is demonstrated for both classical and quantum-mechanical systems.

  16. Human Orbitofrontal Cortex Represents a Cognitive Map of State Space.

    PubMed

    Schuck, Nicolas W; Cai, Ming Bo; Wilson, Robert C; Niv, Yael

    2016-09-21

    Although the orbitofrontal cortex (OFC) has been studied intensely for decades, its precise functions have remained elusive. We recently hypothesized that the OFC contains a "cognitive map" of task space in which the current state of the task is represented, and this representation is especially critical for behavior when states are unobservable from sensory input. To test this idea, we apply pattern-classification techniques to neuroimaging data from humans performing a decision-making task with 16 states. We show that unobservable task states can be decoded from activity in OFC, and decoding accuracy is related to task performance and the occurrence of individual behavioral errors. Moreover, similarity between the neural representations of consecutive states correlates with behavioral accuracy in corresponding state transitions. These results support the idea that OFC represents a cognitive map of task space and establish the feasibility of decoding state representations in humans using non-invasive neuroimaging. PMID:27657452

  17. 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…

  18. Elusive transition state of alcohol dehydrogenase unveiled

    PubMed Central

    Roston, Daniel; Kohen, Amnon

    2010-01-01

    For several decades the hydride transfer catalyzed by alcohol dehydrogenase has been difficult to understand. Here we add to the large corpus of anomalous and paradoxical data collected for this reaction by measuring a normal (> 1) 2° kinetic isotope effect (KIE) for the reduction of benzaldehyde. Because the relevant equilibrium effect is inverse (< 1), this KIE eludes the traditional interpretation of 2° KIEs. It does, however, enable the development of a comprehensive model for the “tunneling ready state” (TRS) of the reaction that fits into the general scheme of Marcus-like models of hydrogen tunneling. The TRS is the ensemble of states along the intricate reorganization coordinate, where H tunneling between the donor and acceptor occurs (the crossing point in Marcus theory). It is comparable to the effective transition state implied by ensemble-averaged variational transition state theory. Properties of the TRS are approximated as an average of the individual properties of the donor and acceptor states. The model is consistent with experimental findings that previously appeared contradictory; specifically, it resolves the long-standing ambiguity regarding the location of the TRS (aldehyde-like vs. alcohol-like). The new picture of the TRS for this reaction identifies the principal components of the collective reaction coordinate and the average structure of the saddle point along that coordinate. PMID:20457944

  19. 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

  20. 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.

  1. Contractive Maps in Locally Transitive Relational Metric Spaces

    PubMed Central

    2014-01-01

    Some fixed point results are given for a class of Meir-Keeler contractive maps acting on metric spaces endowed with locally transitive relations. Technical connections with the related statements due to Berzig et al. (2014) are also being discussed. PMID:24737960

  2. Contractive maps in locally transitive relational metric spaces.

    PubMed

    Turinici, Mihai

    2014-01-01

    Some fixed point results are given for a class of Meir-Keeler contractive maps acting on metric spaces endowed with locally transitive relations. Technical connections with the related statements due to Berzig et al. (2014) are also being discussed. PMID:24737960

  3. 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.

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

    NASA Technical Reports Server (NTRS)

    Ghazvinian, Farzad; Lindsey, William C.

    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.

  5. Human DNMT1 transition state structure

    PubMed Central

    Du, Quan; Wang, Zhen; Schramm, Vern L.

    2016-01-01

    Human DNA methyltransferase 1 (DNMT1) maintains the epigenetic state of DNA by replicating CpG methylation signatures from parent to daughter strands, producing heritable methylation patterns through cell divisions. The proposed catalytic mechanism of DNMT1 involves nucleophilic attack of Cys1226 to cytosine (Cyt) C6, methyl transfer from S-adenosyl-l-methionine (SAM) to Cyt C5, and proton abstraction from C5 to form methylated CpG in DNA. Here, we report the subangstrom geometric and electrostatic structure of the major transition state (TS) of the reaction catalyzed by human DNMT1. Experimental kinetic isotope effects were used to guide quantum mechanical calculations to solve the TS structure. Methyl transfer occurs after Cys1226 attack to Cyt C6, and the methyl transfer step is chemically rate-limiting for DNMT1. Electrostatic potential maps were compared for the TS and ground states, providing the electronic basis for interactions between the protein and reactants at the TS. Understanding the TS of DNMT1 demonstrates the possibility of using similar analysis to gain subangstrom geometric insight into the complex reactions of epigenetic modifications. PMID:26929335

  6. Human DNMT1 transition state structure.

    PubMed

    Du, Quan; Wang, Zhen; Schramm, Vern L

    2016-03-15

    Human DNA methyltransferase 1 (DNMT1) maintains the epigenetic state of DNA by replicating CpG methylation signatures from parent to daughter strands, producing heritable methylation patterns through cell divisions. The proposed catalytic mechanism of DNMT1 involves nucleophilic attack of Cys(1226) to cytosine (Cyt) C6, methyl transfer from S-adenosyl-l-methionine (SAM) to Cyt C5, and proton abstraction from C5 to form methylated CpG in DNA. Here, we report the subangstrom geometric and electrostatic structure of the major transition state (TS) of the reaction catalyzed by human DNMT1. Experimental kinetic isotope effects were used to guide quantum mechanical calculations to solve the TS structure. Methyl transfer occurs after Cys(1226) attack to Cyt C6, and the methyl transfer step is chemically rate-limiting for DNMT1. Electrostatic potential maps were compared for the TS and ground states, providing the electronic basis for interactions between the protein and reactants at the TS. Understanding the TS of DNMT1 demonstrates the possibility of using similar analysis to gain subangstrom geometric insight into the complex reactions of epigenetic modifications. PMID:26929335

  7. Torsional anharmonicity in transition state theory calculations.

    PubMed

    Sturdy, Yvette K; Clary, David C

    2007-05-21

    We present a new application for the Torsional Path Integral Monte Carlo (TPIMC) method in which the TPI partition functions are introduced into the calculation of Transition State Theory (TST) rate constants. In this way, an explicit treatment of torsional anharmonicity is included in the TST calculations and the magnitude of these effects can be assessed. The new method is tested on the C(2)H(6) + H hydrogen abstraction reaction and concerted hydrogen transfer in the carbonic acid dimer, for which we have developed torsional potential energy surfaces. For the C(2)H(6) + H reaction the rate constants are halved at room temperature on including a treatment of torsional anharmonicity, while the effects are found to be much smaller for the hydrogen transfer reaction in the carbonic acid dimer. PMID:17492103

  8. 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.

  9. 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

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

    NASA Astrophysics Data System (ADS)

    Araujo-Pradere, Eduardo A.

    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.”

  11. Excited state quantum phase transitions in many-body systems

    SciTech Connect

    Caprio, M.A. Cejnar, P.; Iachello, F.

    2008-05-15

    Phenomena analogous to ground state quantum phase transitions have recently been noted to occur among states throughout the excitation spectra of certain many-body models. These excited state phase transitions are manifested as simultaneous singularities in the eigenvalue spectrum (including the gap or level density), order parameters, and wave function properties. In this article, the characteristics of excited state quantum phase transitions are investigated. The finite-size scaling behavior is determined at the mean-field level. It is found that excited state quantum phase transitions are universal to two-level bosonic and fermionic models with pairing interactions.

  12. "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

  13. "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.

  14. State space control of frequency standards

    NASA Astrophysics Data System (ADS)

    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.

  15. Surface self-diffusion constants at low temperature: Monte Carlo transition state theory with importance sampling

    SciTech Connect

    Voter, A.F.; Doll, J.D.

    1984-06-01

    We present an importance-sampling method which, when combined with a Monte Carlo procedure for evaluating transition state theory rates, allows computation of classically exact, transition state theory surface diffusion constants at arbitrarily low temperature. In the importance-sampling method, a weighting factor is applied to the transition state region, and Metropolis steps are chosen from a special distribution which facilitates transfer between the two important regions of configuration space: the binding site minimum and the saddle point between two binding sites. We apply the method to the diffusion of Rh on Rh(111) and Rh on Rh(100), in the temperature range of existing field ion microscope experiments.

  16. Isotropic to anisotropic transition in a fractional quantum Hall state

    NASA Astrophysics Data System (ADS)

    Mulligan, Michael; Nayak, Chetan; Kachru, Shamit

    2010-08-01

    We study an Abelian gauge theory in 2+1 dimensions which has surprising theoretical and phenomenological features. The theory has a vanishing coefficient for the square of the electric field ei2 , characteristic of a quantum critical point with dynamical critical exponent z=2 , and a level- k Chern-Simons coupling, which is marginal at this critical point. For k=0 , this theory is dual to a free z=2 scalar field theory describing a quantum Lifshitz transition, but k≠0 renders the scalar description nonlocal. The k≠0 theory exhibits properties intermediate between the (topological) pure Chern-Simons theory and the scalar theory. For instance, the Chern-Simons term does not make the gauge field massive. Nevertheless, there are chiral edge modes when the theory is placed on a space with boundary and a nontrivial ground-state degeneracy kg when it is placed on a finite-size Riemann surface of genus g . The coefficient of ei2 is the only relevant coupling; it tunes the system through a quantum phase transition between an isotropic fractional quantum Hall state and an anisotropic fractional quantum Hall state. We compute zero-temperature transport coefficients in both phases and at the critical point and comment briefly on the relevance of our results to recent experiments.

  17. 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

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

    NASA Astrophysics Data System (ADS)

    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.

  19. Characterising a configuration interaction excited state using natural transition geminals

    NASA Astrophysics Data System (ADS)

    Coe, J. P.; Paterson, M. J.

    2014-03-01

    We introduce natural transition geminals as a means to qualitatively understand a transition where double excitations are important. The first two A1 singlet states of the CH cation are used as an initial example. We calculate these states with configuration interaction singles and state-averaged Monte Carlo configuration interaction (SA-MCCI). For each method, we compare the important natural transition geminals with the dominant natural transition orbitals. We then compare SA-MCCI and full configuration interaction with regards to the natural transition geminals using the beryllium atom. We compare using the natural transition geminals with analysing the important configurations in the CI expansion to give the dominant transition for the beryllium atom and the carbon dimer. Finally, we calculate the natural transition geminals for two electronic excitations of formamide.

  20. 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

  1. Noise-induced transition of atoms between dynamic phase-space attractors in a parametrically excited atomic trap

    SciTech Connect

    Kim, Kihwan; Heo, Myoung-Sun; Lee, Ki-Hwan; Ha, Hyoun-Jee; Jang, Kiyoub; Jhe, Wonho; Noh, Heung-Ryoul

    2005-11-15

    We have investigated the noise-induced transition of cold atoms between double or triple phase-space attractors that are produced in the parametrically driven magneto-optical trap. The transition rates between two dynamic attractors, directly measured for various modulation frequencies and amplitudes, are in good agreement with calculations from the dynamic version of Kramers' theory and Monte Carlo simulations. For the triple attractors, the transition rates are measured indirectly through the steady-state population and the results are also in agreement with simulations. Our experiment may be useful for study of nonlinear dynamic problems involving transitions between states far from equilibrium.

  2. 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

  3. Transitions between patterned states in vegetation models for semiarid ecosystems

    NASA Astrophysics Data System (ADS)

    Gowda, Karna; Riecke, Hermann; Silber, Mary

    2014-02-01

    A feature common to many models of vegetation pattern formation in semiarid ecosystems is a sequence of qualitatively different patterned states, "gaps → labyrinth → spots," that occurs as a parameter representing precipitation decreases. We explore the robustness of this "standard" sequence in the generic setting of a bifurcation problem on a hexagonal lattice, as well as in a particular reaction-diffusion model for vegetation pattern formation. Specifically, we consider a degeneracy of the bifurcation equations that creates a small bubble in parameter space in which stable small-amplitude patterned states may exist near two Turing bifurcations. Pattern transitions between these bifurcation points can then be analyzed in a weakly nonlinear framework. We find that a number of transition scenarios besides the standard sequence are generically possible, which calls into question the reliability of any particular pattern or sequence as a precursor to vegetation collapse. Additionally, we find that clues to the robustness of the standard sequence lie in the nonlinear details of a particular model.

  4. Transitions between patterned states in vegetation models for semiarid ecosystems.

    PubMed

    Gowda, Karna; Riecke, Hermann; Silber, Mary

    2014-02-01

    A feature common to many models of vegetation pattern formation in semiarid ecosystems is a sequence of qualitatively different patterned states, "gaps → labyrinth → spots," that occurs as a parameter representing precipitation decreases. We explore the robustness of this "standard" sequence in the generic setting of a bifurcation problem on a hexagonal lattice, as well as in a particular reaction-diffusion model for vegetation pattern formation. Specifically, we consider a degeneracy of the bifurcation equations that creates a small bubble in parameter space in which stable small-amplitude patterned states may exist near two Turing bifurcations. Pattern transitions between these bifurcation points can then be analyzed in a weakly nonlinear framework. We find that a number of transition scenarios besides the standard sequence are generically possible, which calls into question the reliability of any particular pattern or sequence as a precursor to vegetation collapse. Additionally, we find that clues to the robustness of the standard sequence lie in the nonlinear details of a particular model.

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

    NASA Astrophysics Data System (ADS)

    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.

  6. 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.…

  7. Analytical expressions for partial wave two-body Coulomb transition matrices at ground-state energy

    NASA Astrophysics Data System (ADS)

    Kharchenko, V. F.

    2016-11-01

    Leaning upon the Fock method of the stereographic projection of the three-dimensional momentum space onto the four-dimensional unit sphere the possibility of the analytical solving of the Lippmann-Schwinger integral equation for the partial wave two-body Coulomb transition matrix at the ground bound state energy has been studied. In this case new expressions for the partial p-, d- and f-wave two-body Coulomb transition matrices have been obtained in the simple analytical form. The developed approach can also be extended to determine analytically the partial wave Coulomb transition matrices at the energies of excited bound states.

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

    NASA Astrophysics Data System (ADS)

    Glushkov, A.; Malinovskaya, S.; Ambrosov, S.

    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 positronium Ps is an exotic hydrogen isotope with the atomic mass M 2m e sim 1 milli-amu and ground state binding energy of E 6 8 eV The hfs states of Ps differ in spin S life time t and mode of annihilation para-Ps S 0 t 1 25 cdot 10 -10 n 3 s 2 gamma annihilation and ortho-Ps S 1 t 1 4 cdot 10 -7 n 3 s 3 gamma annihilation As a rule probabilities of the cascade radiation transitions are more than the annihilation probability The ortho-Ps atom has a metastable state 2 3 s 1 and probability of two-photon radiation transition from this state into 1 3 s 1 state 1 8 cdot 10 -3 s -1 is significantly less than probability of the three-photon annihilation directly from 2 3 s 1 level 8 9 cdot 10 5 s -1 i e it is usually supposed that the ortho-Ps annihilates from 2 3 s 1 state Another situation may take place in plasma where it is arisen the competition process of destruction of the metastable level -- the photon-plasmon transition 2 3 s 1 -1 3 s 1 with emission of photon and Langmuir quanta

  9. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Systematics of α -decay transitions to excited states

    NASA Astrophysics Data System (ADS)

    Delion, D. S.; Dumitrescu, A.

    2015-08-01

    We systematize the available experimental material concerning α -decay transitions to low-lying excited states in even-even and odd-mass emitters. We generalize our previous theoretical prediction concerning the linear dependence between hindrance factors and the excitation energy for transitions in even-even α emitters. Thus, we show that α intensities for transitions to excited states depend linearly upon the excitation energy for all known even-even and odd-mass α emitters. It turns out that the well-known Viola-Seaborg law for α -decay transitions between ground states can be generalized for transitions to excited states. This rule can be used to predict any α -decay half-life to a low-lying excited state.

  12. 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.

  13. Finding mechanochemical pathways and barriers without transition state search

    NASA Astrophysics Data System (ADS)

    Avdoshenko, Stanislav M.; Makarov, Dmitrii E.

    2015-05-01

    In covalent mechanochemistry, precise application of mechanical stress to molecules of interest ("mechanophores") is used to induce to promote desired reaction pathways. Computational prediction of such phenomena and rational mechanophore design involves the computationally costly task of finding relevant transition-state saddles on force-deformed molecular potential energy surfaces (PESs). Finding a transition state often requires an initial guess about the pathway by which the reaction will proceed. Unfortunately, chemical intuition often fails when predicting likely consequences of mechanical stress applied to molecular systems. Here, we describe a fully deterministic method for finding mechanochemically relevant transition states and reaction pathways. The method is based on the observation that application of a sufficiently high mechanical force will eventually destabilize any molecular structure. Mathematically, such destabilization proceeds via a "catastrophe" occurring at a critical force where the energy minimum corresponding to the stable molecular structure coalesces with a transition state. Catastrophe theory predicts the force-deformed PES to have universal behavior in the vicinity of the critical force, allowing us to deduce the molecular structure of the transition state just below the critical force analytically. We then use the previously developed method of tracking transition-state evolution with the force to map out the entire reaction path and to predict the complete force dependence of the reaction barrier. Beyond its applications in mechanochemistry, this approach may be useful as a general method of finding transition states using fictitious forces to target specific reaction mechanisms.

  14. Improving Upon String Methods for Transition State Discovery.

    PubMed

    Chaffey-Millar, Hugh; Nikodem, Astrid; Matveev, Alexei V; Krüger, Sven; Rösch, Notker

    2012-02-14

    Transition state discovery via application of string methods has been researched on two fronts. The first front involves development of a new string method, named the Searching String method, while the second one aims at estimating transition states from a discretized reaction path. The Searching String method has been benchmarked against a number of previously existing string methods and the Nudged Elastic Band method. The developed methods have led to a reduction in the number of gradient calls required to optimize a transition state, as compared to existing methods. The Searching String method reported here places new beads on a reaction pathway at the midpoint between existing beads, such that the resolution of the path discretization in the region containing the transition state grows exponentially with the number of beads. This approach leads to favorable convergence behavior and generates more accurate estimates of transition states from which convergence to the final transition states occurs more readily. Several techniques for generating improved estimates of transition states from a converged string or nudged elastic band have been developed and benchmarked on 13 chemical test cases. Optimization approaches for string methods, and pitfalls therein, are discussed.

  15. 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.

  16. 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.

  17. Avoiding traps in trajectory space: metadynamics enhanced transition path sampling

    NASA Astrophysics Data System (ADS)

    Borrero, E. E.; Dellago, C.

    2016-07-01

    We propose a transition path sampling (TPS) scheme designed to enhance sampling in systems with multiple reaction channels. In this method, based on a combination of the metadynamics algorithm with the TPS shooting move, a history dependent bias drives the simulation towards unexplored reaction channels. The bias, constructed as a superposition of repulsive Gaussian potentials deposited on the trajectories harvested in the course of the simulation, acts only during the initial stage of the trajectory generation, but leaves the dynamics along the trajectories unaffected such that the sampled pathways are true dynamical trajectories. Simulations carried out for two test systems indicate that the new approach effortlessly switches between distinct reaction channels even if they are separated by high barriers in trajectory space.

  18. η' transition form factor from space- and timelike experimental data

    NASA Astrophysics Data System (ADS)

    Escribano, R.; Gonzàlez-Solís, S.; Masjuan, P.; Sanchez-Puertas, P.

    2016-09-01

    The η' transition form factor is reanalyzed in view of the recent first observation by BESIII of the Dalitz decay η'→γ e+e- in both space- and timelike regions at low and intermediate energies using the Padé approximants method. The present analysis provides a suitable parametrization for reproducing the measured form factor in the whole energy region and allows one to extract the corresponding low-energy parameters together with a prediction of their values at the origin, related to Γη'→γ γ , and the asymptotic limit. The η - η' mixing is reassessed within a mixing scheme compatible with the large-Nc chiral perturbation theory at next-to-leading order, with particular attention to the Okubo-Zweig-Iizuka-rule-violating parameters. The J /ψ , Z →η(')γ decays are also considered and predictions are reported.

  19. Phase transitions for rotational states within an algebraic cluster model

    NASA Astrophysics Data System (ADS)

    López Moreno, E.; Morales Hernández, G. E.; Hess, P. O.; Yépez Martínez, H.

    2016-07-01

    The ground state and excited, rotational phase transitions are investigated within the Semimicroscopic Algebraic Cluster Model (SACM). The catastrophe theory is used to describe these phase transitions. Short introductions to the SACM and the catastrophe theory are given. We apply the formalism to the case of 16O+α→20Ne.

  20. State-Space Regularization: Geometric Theory

    SciTech Connect

    Chavent, G.; Kunisch, K.

    1998-05-15

    Regularization of nonlinear ill-posed inverse problems is analyzed for a class of problems that is characterized by mappings which are the composition of a well-posed nonlinear and an ill-posed linear mapping. Regularization is carried out in the range of the nonlinear mapping. In applications this corresponds to the state-space variable of a partial differential equation or to preconditioning of data. The geometric theory of projection onto quasi-convex sets is used to analyze the stabilizing properties of this regularization technique and to describe its asymptotic behavior as the regularization parameter tends to zero.

  1. Momentum space imaging of the FFLO state

    NASA Astrophysics Data System (ADS)

    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.

  2. Momentum space imaging of the FFLO state

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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

  4. 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...

  5. Transition state theory and the dynamics of hard disks.

    PubMed

    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.

  6. 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.

  7. Policy to Performance: State ABE Transition Systems Report. Transitioning Adults to Opportunity

    ERIC Educational Resources Information Center

    Alamprese, Judith A.

    2012-01-01

    The U.S. Department of Education's Policy to Performance project was funded in 2009 to build the capacity of state adult basic education (ABE) staff to develop and implement policies and practices that would support an ABE transition system. Policy to Performance states were selected though a competitive process. State adult education…

  8. State-space models for multichannel detection

    NASA Astrophysics Data System (ADS)

    Roman, J. R.; Davis, D. W.

    1993-07-01

    In multichannel identification and detection (or model-based multichannel detection) problems the parameters of a model are identified from the observed channel process and the identified model is used to facilitate the detection of a signal in the observe process. A model-based multichannel detection algorithm was developed in the context of an innovations-based detection algorithm (IBDA) formulation for surveillance radar system applications. The state space model class was adopted to model the vector channel process because it is more general than the time series model class used in most analyses to date. An IBDA methodology was developed based on the canonical correlations algorithm which for state-space model identification offers performance advantages over alternative techniques. A computer simulation was developed to validate the methodology and the algorithm, and to carry out performance assessments. Simulation results indicate that the algorithm is capable of discriminating between the null hypothesis (clutter plus noise) and the alternative hypothesis (signal plus clutter plus noise). In summary, the applicability of the approach to radar system problems was established.

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

    NASA Astrophysics Data System (ADS)

    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.

  10. 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.

  11. 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

  12. Space and time renormalization in phase transition dynamics

    DOE PAGES

    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

  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. Diels–Alder Reactions of Allene with Benzene and Butadiene: Concerted, Stepwise, and Ambimodal Transition States

    PubMed Central

    2015-01-01

    Multiconfigurational complete active space methods (CASSCF and CASPT2) have been used to investigate the (4 + 2) cycloadditions of allene with butadiene and with benzene. Both concerted and stepwise radical pathways were examined to determine the mechanism of the Diels–Alder reactions with an allene dienophile. Reaction with butadiene occurs via a single ambimodal transition state that can lead to either the concerted or stepwise trajectories along the potential energy surface, while reaction with benzene involves two separate transition states and favors the concerted mechanism relative to the stepwise mechanism via a diradical intermediate. PMID:25216056

  15. Diels-Alder reactions of allene with benzene and butadiene: concerted, stepwise, and ambimodal transition states.

    PubMed

    Pham, Hung V; Houk, K N

    2014-10-01

    Multiconfigurational complete active space methods (CASSCF and CASPT2) have been used to investigate the (4 + 2) cycloadditions of allene with butadiene and with benzene. Both concerted and stepwise radical pathways were examined to determine the mechanism of the Diels-Alder reactions with an allene dienophile. Reaction with butadiene occurs via a single ambimodal transition state that can lead to either the concerted or stepwise trajectories along the potential energy surface, while reaction with benzene involves two separate transition states and favors the concerted mechanism relative to the stepwise mechanism via a diradical intermediate.

  16. 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.

  17. 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.

  18. Testing Transition State Theory on Kac-Zwanzig Model

    NASA Astrophysics Data System (ADS)

    Ariel, G.; vanden-Eijnden, E.

    2007-01-01

    A variant of the Kac-Zwanzig model is used to test the prediction of transition state theory (TST) and variational transition state theory (VTST). The model describes the evolution of a distinguished particle moving in a double-well external potential and coupled to N free particles through linear springs. While the Kac-Zwanzig model is deterministic, under appropriate choice of the model parameters the evolution of the distinguished particle can be approximated by a two-state Markov chain whose transition rate constants can be computed exactly in suitable limit. Here, these transition rate constants are compared with the predictions of TST and VTST. It is shown that the application of TST with a naive (albeit natural) choice of dividing surface leads to the wrong prediction of the transition rate constants. This is due to crossings of the dividing surface that do not correspond to actual transition events. However, optimizing over the dividing surface within VTST allows one to eliminate completely these spurious crossings, and therefore derive the correct transition rate constants for the model. The reasons why VTST is successful in this model are discussed, which allows one to speculate on the reliability of VTST in more complicated systems.

  19. 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.

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

    PubMed Central

    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

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

    NASA Astrophysics Data System (ADS)

    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.

  2. 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...

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

    NASA Technical Reports Server (NTRS)

    Askins, Bruce; Robinson, Kimberly

    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

  4. 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

  5. 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.

  6. Spin glasses - A transition in plain ordinary space

    NASA Astrophysics Data System (ADS)

    Souletie, J.

    We are living a fascinating moment where theorists, faced to ample experimental and (more recent) simulation evidence seem to have little choice other than to accept that the transition which they described, actually occurs in our ordinary space at 3 d. We review here some of the experimental arguments, based on critical measurements performed at equilibrium in the high temperature phase, and we stress the similarities and the differences with superparamagnetism and with an ordinary phase transition. By contrast, the slow relaxations which are observed in the low temperature phase below Tc are interpreted in terms of activation over finite energy barriers and would suggest little more than ordinary superparamagnetism. Some features of the Fulcher law which describes the edge between the equilibrium and the non equilibrium regimes, would allow to conciliate both points of view : it is the critical divergence of the barrier heights, on approaching Tc from above, which is responsible for the fact that the system appears blocked at a temperature Tg(t) slightly larger than Tc for all experiments performed in a finite time t. Nous vivons un moment fascinant ou les théoriciens, confrontés aux résultats de l'expérience et (plus récemment) de la simulation semblent n'avoir guère d'autre choix que d'accepter que la transition qu'ils avaient décrite existe bien dans notre espace à trois dimensions. Nous discutons ici quelques-uns des arguments expérimentaux basés sur l'étude de l'approche critique à Tc dans l'état paramagnétique et nous soulignons les similitudes et les différences avec le superparamagnétisme et avec une transition de phase ordinaire. Quant aux relaxations lentes qui sont observxA9es dans la phase de basse température au-dessous de Tc, leur interprétation en termes d'activation thermique suggérerait des barrières finies et du superparamagnétisme. Quelques aspects de la loi de Fulcher qui décrit bien le comportement de la temp

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

    NASA Astrophysics Data System (ADS)

    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

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

    DOE PAGES

    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

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

    NASA Astrophysics Data System (ADS)

    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.

  10. Analysis of slow transitions between nonequilibrium steady states

    NASA Astrophysics Data System (ADS)

    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.

  11. Analysis of slow transitions between nonequilibrium steady states

    NASA Astrophysics Data System (ADS)

    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.

  12. Transition probabilities of normal states determine the Jordan structure of a quantum system

    NASA Astrophysics Data System (ADS)

    Leung, Chi-Wai; Ng, Chi-Keung; Wong, Ngai-Ching

    2016-01-01

    Let Φ : 𝔖(M1) → 𝔖(M2) be a bijection (not assumed affine nor continuous) between the sets of normal states of two quantum systems, modelled on the self-adjoint parts of von Neumann algebras M1 and M2, respectively. This paper concerns with the situation when Φ preserves (or partially preserves) one of the following three notions of "transition probability" on the normal state spaces: the transition probability PU introduced by Uhlmann [Rep. Math. Phys. 9, 273-279 (1976)], the transition probability PR introduced by Raggio [Lett. Math. Phys. 6, 233-236 (1982)], and an "asymmetric transition probability" P0 (as introduced in this article). It is shown that the two systems are isomorphic, i.e., M1 and M2 are Jordan ∗-isomorphic, if Φ preserves all pairs with zero Uhlmann (respectively, Raggio or asymmetric) transition probability, in the sense that for any normal states μ and ν, we have P (" separators=" Φ ( μ ) , Φ ( ν ) " separators=" ) = 0 if and only if P(μ, ν) = 0, where P stands for PU (respectively, PR or P0). Furthermore, as an extension of Wigner's theorem, it is shown that there is a Jordan ∗-isomorphism Θ : M2 → M1 satisfying Φ = Θ∗|𝔖(M1) if and only if Φ preserves the "asymmetric transition probability." This is also equivalent to Φ preserving the Raggio transition probability. Consequently, if Φ preserves the Raggio transition probability, it will preserve the Uhlmann transition probability as well. As another application, the sets of normal states equipped with either the usual metric, the Bures metric or "the metric induced by the self-dual cone," are complete Jordan ∗-invariants for the underlying von Neumann algebras.

  13. 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

  14. Europe/United States space activities

    NASA Technical Reports Server (NTRS)

    Bainum, P. M. (Editor); Von Bun, F. (Editor)

    1985-01-01

    Among the topics discussed are: the Olympus satellite program; trends in the Italian space technology; and ESA Space Station planning. Consideration is also given to cooperative international programs, including the Eurostar platform, the Tethered Satellite System, and the SPAS system; space science and applications programs; and the development of next generation space propulsion systems. Among the specific propulsion technologies discussed are: LOX/LR2 engines; the Ariane 5 solid propellant booster; and propulsion systems for earth-to-orbit vehicles.

  15. Transition-state studies of xenon and SF sub 6 diffusion in silicalite

    SciTech Connect

    June, R.L.; Bell, A.T.; Theodorou, D.N. )

    1991-10-31

    Self-diffusion coefficients for infinitely dilute spherical sorbate molecules in the zeolite silicalite are computed by transition-state theory. The diffusion process is modeled as a series of uncorrelated jumps between potential minima (sites) determined from a Lennard-Jones representation of the silicalite lattice. Rate constants for jumping between different sites within the lattice are computed by transition-state theory and by the dynamically corrected transition-state theory of Voter and Doll for both a flexible and a rigid zeolite lattice model. Diffusivities are then determined from the rate constants by generating continuous-time/discrete-space Monte Carlo random walks. The computed diffusivities are shown to be in good agreement with molecular dynamics calculations performed on an identical model in the infinite dilution limit at low temperatures and with available experimental results. The transition-state theory and dynamically corrected transition-state theory methods afford computational savings of up to 2 orders of magnitude relative to full molecular dynamics simulations. Shortcomings in the various algorithms and zeolite models are discussed.

  16. 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.

  17. A new perspective on transition states: χ1 separatrix

    NASA Astrophysics Data System (ADS)

    Ledbetter, Paul J.; Clementi, Cecilia

    2011-07-01

    We present a new definition of the transition state for chemical reactions, named the χ1 separatrix. In contrast to previous transition state definitions which depend on the choice of reaction coordinates, the χ1 separatrix is defined by choosing a time scale for observation and is connected to exact rate constants in the high friction limit. We demonstrate that this separatrix appears in the isomerization of alanine dipeptide as a stationary population in quasi-equilibrium, without assuming a particular coordinate system or reactant and product surfaces.

  18. Granger causality for state-space models

    NASA Astrophysics Data System (ADS)

    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.

  19. Topological properties of flat electroencephalography's state space

    NASA Astrophysics Data System (ADS)

    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.

  20. State-space models for optical imaging.

    PubMed

    Myers, Kary L; Brockwell, Anthony E; Eddy, William F

    2007-09-20

    Measurement of stimulus-induced changes in activity in the brain is critical to the advancement of neuroscience. Scientists use a range of methods, including electrode implantation, surface (scalp) electrode placement, and optical imaging of intrinsic signals, to gather data capturing underlying signals of interest in the brain. These data are usually corrupted by artifacts, complicating interpretation of the signal; in the context of optical imaging, two primary sources of corruption are the heartbeat and respiration cycles. We introduce a new linear state-space framework that uses the Kalman filter to remove these artifacts from optical imaging data. The method relies on a likelihood-based analysis under the specification of a formal statistical model, and allows for corrections to the signal based on auxiliary measurements of quantities closely related to the sources of contamination, such as physiological processes. Furthermore, the likelihood-based modeling framework allows us to perform both goodness-of-fit testing and formal hypothesis testing on parameters of interest. Working with data collected by our collaborators, we demonstrate the method of data collection in an optical imaging study of a cat's brain.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. Steady-state plasma transition in the Venus ionosheath

    NASA Astrophysics Data System (ADS)

    Perez-de-Tejada, H.; Intriligator, D. S.; Strangeway, R. J.

    1991-02-01

    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.

  3. 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

  4. Correlated transition between two activity states of neurons

    NASA Astrophysics Data System (ADS)

    Uchida, Go; Fukuda, Mitsuhiro; Tanifuji, Manabu

    2006-03-01

    In order to understand the dynamical properties of a neural network, it is important to characterize the relation between spike trains of two neurons in the network. In this study, we show that in some neuron pairs in inferior temporal cortices of macaque monkeys, spike trains of a pair are described by a two-dimensional Poisson process whose means are modulated by a common two-state Markov process. The common two-state Markov process describes a correlated state transition between firing and nonfiring states of the constituent neurons of the pair.

  5. Transition state theory for laser-driven reactions

    SciTech Connect

    Kawai, Shinnosuke; Bandrauk, Andre D.; Jaffe, Charles; Bartsch, Thomas; Palacian, Jesus; Uzer, T.

    2007-04-28

    Recent developments in transition state theory brought about by dynamical systems theory are extended to time-dependent systems such as laser-driven reactions. Using time-dependent normal form theory, the authors construct a reaction coordinate with regular dynamics inside the transition region. The conservation of the associated action enables one to extract time-dependent invariant manifolds that act as separatrices between reactive and nonreactive trajectories and thus make it possible to predict the ultimate fate of a trajectory. They illustrate the power of our approach on a driven Henon-Heiles system, which serves as a simple example of a reactive system with several open channels. The present generalization of transition state theory to driven systems will allow one to study processes such as the control of chemical reactions through laser pulses.

  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. Critical behavior of the absorbing state transition in the contact process with relaxing immunization

    NASA Astrophysics Data System (ADS)

    Cruz, Claudia P. T.; Lyra, M. L.; Fulco, U. L.; Corso, Gilberto

    2012-11-01

    We introduce a model for the Contact Process with relaxing immunization CPRI. In this model, local memory is introduced by a time and space dependence of the contamination probability. The model has two parameters: a typical immunization time τ and a maximum contamination probability a. The system presents an absorbing state phase transition whenever the contamination probability a is above a minimum threshold. For short immunization times, the system evolves to a statistically stationary active state. Above τc(a), immunization predominates and the system evolves to the absorbing vacuum state. We employ a finite-size scaling analysis to show that the transition belongs to the standard directed percolation universality class. The critical immunization time diverges in the limit of a→1. In this regime, the density of active sites decays exponentially as τ increases, but never reaches the vacuum state in the thermodynamic limit.

  9. 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).

  10. 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...

  11. 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...

  12. 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…

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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).

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

    NASA Astrophysics Data System (ADS)

    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

  16. 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

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

    SciTech Connect

    Morimae, Tomoyuki

    2011-04-15

    In the framework of the computational tensor network [Phys. Rev. Lett. 98, 220503 (2007)], the quantum computation is performed in a virtual linear space called the correlation space. It was recently shown [Phys. Rev. Lett. 103, 050503 (2009)] that a state in a correlation space can be downloaded to the real physical space. In this paper, conversely, we study how to upload a state from a real physical space to the correlation space. After showing the impossibility of cloning a state between a real physical space and the correlation space, we propose a simple teleportation-like method of uploading. This method also enables the Gottesman-Chuang gate teleportation trick and entanglement swapping in the virtual-real hybrid setting. Furthermore, compared with the inverse of the downloading method by Cai et al. [Phys. Rev. Lett. 103, 050503 (2009)], which also works to upload, the proposed uploading method has several advantages.

  18. Transition State Analogues of Plasmodium falciparum and Human Orotate Phosphoribosyltransferases*

    PubMed Central

    Zhang, Yong; Evans, Gary B.; Clinch, Keith; Crump, Douglas R.; Harris, Lawrence D.; Fröhlich, Richard F. G.; Tyler, Peter C.; Hazleton, Keith Z.; Cassera, María B.; Schramm, Vern L.

    2013-01-01

    The survival and proliferation of Plasmodium falciparum parasites and human cancer cells require de novo pyrimidine synthesis to supply RNA and DNA precursors. Orotate phosphoribosyltransferase (OPRT) is an indispensible component in this metabolic pathway and is a target for antimalarials and antitumor drugs. P. falciparum (Pf) and Homo sapiens (Hs) OPRTs are characterized by highly dissociative transition states with ribocation character. On the basis of the geometrical and electrostatic features of the PfOPRT and HsOPRT transition states, analogues were designed, synthesized, and tested as inhibitors. Iminoribitol mimics of the ribocation transition state in linkage to pyrimidine mimics using methylene or ethylene linkers gave dissociation constants (Kd) as low as 80 nm. Inhibitors with pyrrolidine groups as ribocation mimics displayed slightly weaker binding affinities for OPRTs. Interestingly, p-nitrophenyl riboside 5′-phosphate bound to OPRTs with Kd values near 40 nm. Analogues designed with a C5-pyrimidine carbon–carbon bond to ribocation mimics gave Kd values in the range of 80–500 nm. Acyclic inhibitors with achiral serinol groups as the ribocation mimics also displayed nanomolar inhibition against OPRTs. In comparison with the nucleoside derivatives, inhibition constants of their corresponding 5′-phosphorylated transition state analogues are largely unchanged, an unusual property for a nucleotide-binding site. In silico docking of the best inhibitor into the HsOPRT active site supported an extensive hydrogen bond network associated with the tight binding affinity. These OPRT transition state analogues identify crucial components of potent inhibitors targeting OPRT enzymes. Despite their tight binding to the targets, the inhibitors did not kill cultured P. falciparum. PMID:24158442

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

    NASA Astrophysics Data System (ADS)

    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.

  20. 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

  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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  4. 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.

  5. Excited-state quantum phase transitions in Dicke superradiance models.

    PubMed

    Brandes, Tobias

    2013-09-01

    We derive analytical results for various quantities related to the excited-state quantum phase transitions in a class of Dicke superradiance models in the semiclassical limit. Based on a calculation of a partition sum restricted to Dicke states, we discuss the singular behavior of the derivative of the density of states and find observables such as the mean (atomic) inversion and the boson (photon) number and its fluctuations at arbitrary energies. Criticality depends on energy and a parameter that quantifies the relative weight of rotating versus counterrotating terms, and we find a close analogy to the logarithmic and jump-type nonanalyticities known from the Lipkin-Meshkov-Glick model. PMID:24125239

  6. The United States space observation policy

    NASA Technical Reports Server (NTRS)

    Chevrel, M.

    1980-01-01

    The steps pursued since 1978 to establish an operational civil space remote sensing system are outlined. The role of the National Oceanographic and Atmospheric Agency is defined, and the problems still remaining are discussed.

  7. 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

  8. Space transportation activities in the United States

    NASA Technical Reports Server (NTRS)

    Gabris, Edward A.

    1994-01-01

    The status of the existing space transportation systems in the U.S. and options for increased capability is being examined in the context of mission requirements, options for new vehicles, cost to operate the existing vehicles, cost to develop new vehicles, and the capabilities and plans of other suppliers. This assessment is addressing the need to build and resupply the space station, to maintain necessary military assets in a rapidly changing world, and to continue a competitive commercial space transportation industry. The Department of Defense (DOD) and NASA each conducted an 'access to space' study using a common mission model but with the emphasis on their unique requirements. Both studies considered three options: maintain and improve the existing capability, build a new launch vehicle using contemporary technology, and build a new launch vehicle using advanced technology. While no decisions have been made on a course of action, it will be influenced by the availability of funds in the U.S. budget, the changing need for military space assets, the increasing competition among space launch suppliers, and the emerging opportunity for an advanced technology, low cost system and international partnerships to develop it.

  9. Transits

    NASA Astrophysics Data System (ADS)

    Gilliland, Ronald L.

    Transits of the planets Mercury and especially Venus have been exciting events in the development of astronomy over the past few hundred years. Just two years ago the first transiting extra-solar planet, HD 209458b, was discovered, and subsequent studies during transit have contributed fundamental new knowledge. From the photometric light curve during transit one obtains a basic confirmation that the radial velocity detected object is indeed a planet by allowing precise determination of its mass and radius relative to these stellar quantities. From study of spectroscopic changes during transit it has been possible to probe for individual components of the transiting planets atmosphere. Planet transits are likely to become a primary tool for detection of new planets, especially other Earth-like planets with the Kepler Discovery Mission. Looking ahead, the additional aperture of the James Webb Space Space Telescope promises to allow the first possibility of studying the atmosphere of extra-solar Earth-analogue planets, perhaps even providing the first evidence of direct relevance to the search for signs of life on other planets.

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

    NASA Technical Reports Server (NTRS)

    Tadano, Thomas N.

    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.

  11. 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.

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

    NASA Astrophysics Data System (ADS)

    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

  13. 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.

  14. 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.

  15. Optimized dynamics of state to state transitions in 2-electron quantum dot molecules

    NASA Astrophysics Data System (ADS)

    Sælen, L.; Nepstad, R.; Degani, I.; Hansen, J. P.

    2009-11-01

    We investigate optimal control strategies for state to state transitions in a model of a quantum dot molecule containing two active strongly interacting electrons. The resulting optimized electric pulses are in the THz regime and can populate combinations of states with very short transition times. The speedup compared to intuitively constructed pulses is an order of magnitude. We furthermore make use of optimized pulse control in the simulation of an experimental preparation of the molecular quantum dot system. It is shown that exclusive population of certain excited states leads to a complete suppression of spin dephasing, as predicted in Nepstad et al. [1].

  16. 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.

  17. Abundant topological states in silicene with transition metal adatoms

    NASA Astrophysics Data System (ADS)

    Zhang, Jiayong; Zhao, Bao; Yang, Zhongqin

    2013-10-01

    Electronic and topological properties of silicene adsorbed with 4d transition metal (TM) atoms are investigated by using ab initio methods together with tight-binding models. All six kinds of TM adatoms (Y to Ru) we studied prefer hollow sites of silicene. The interplay of TM-induced exchange interactions, spin-orbit coupling, and staggered AB-sublattice potential triggers abundant topological states, including quantum anomalous Hall (QAH) states, valley Hall states, and valley-polarized metallic states. Particularly, QAH states with different Chern numbers are obtained, which is -2 in the Nb/Ru doped system and 1 in the Y doped system. Our results indicate that great potential for information processing applications exists in these systems of silicene adsorbed with TM atoms.

  18. A Transition in Brain State during Propofol-Induced Unconsciousness

    PubMed Central

    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.

    2014-01-01

    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. Transition state geometry in radical hydrogen atom abstraction

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    Meyer, Robert E

    2015-08-07

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. 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

  3. Connection between decoherence and excited state quantum phase transitions

    SciTech Connect

    Perez-Fernandez, P.; Arias, J. M.; Relano, A.; Dukelsky, J.; Garcia-Ramos, J. E.

    2010-04-26

    In this work we explore the relationship between an excited state quantum phase transition (ESQPT) and the phenomenon of quantum decoherence. For this purpose, we study how the decoherence is affected by the presence of a continuous ESQPT in the environment. This one is modeled as a two level boson system described by a Lipkin Hamiltonian. We will show that the decoherence of the system is maximal when the environment undergoes a continuous ESQPT.

  4. Space debris tracking needs improvements, report states

    NASA Astrophysics Data System (ADS)

    Showstack, Randy

    2012-09-01

    With more and more space debris littering the skies above Earth, the U.S. Air Force Space Command (AFSPC) needs to keep up with demands to track the debris and prevent collisions with satellites by improving the U.S. Strategic Command's Joint Space Operations Center (JSpOC) infrastructure, modernizing software, and increasing the ability to more easily incorporate new algorithms and sensor data into its system, according to a 6 September report by a U.S. National Research Council committee. “If there is a single message of this study, it is that the Air Force needs to encourage a change in culture to emphasize openness—in transparency of its algorithms, in the interaction of its people with the user community and the scientific community, and in its providing of a reasonable amount of sensor tracking data to the scientific community for testing algorithms,” according to the report, entitled Continuing Kepler's Quest: Assessing Air Force Command's Astrodynamics Standards. “The Air Force needs to position the JSpOC—and its overall space situational awareness system—to rapidly evaluate, adapt, and adopt evolving technologies to meet community needs proactively.”

  5. Superlinearly converging dimer method for transition state search

    NASA Astrophysics Data System (ADS)

    Kästner, Johannes; Sherwood, Paul

    2008-01-01

    Algorithmic improvements of the dimer method [G. Henkelman and H. Jónsson, J. Chem. Phys. 111, 7010 (1999)] are described in this paper. Using the limited memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) optimizer for the dimer translation greatly improves the convergence compared to the previously used conjugate gradient algorithm. It also saves one energy and gradient calculation per dimer iteration. Extrapolation of the gradient during repeated dimer rotations reduces the computational cost to one gradient calculation per dimer rotation. The L-BFGS algorithm also improves convergence of the rotation. Thus, three to four energy and gradient evaluations are needed per iteration at the beginning of a transition state search, while only two are required close to convergence. Moreover, we apply the dimer method in internal coordinates to reduce coupling between the degrees of freedom. Weighting the coordinates can be used to apply chemical knowledge about the system and restrict the transition state search to only part of the system while minimizing the remainder. These improvements led to an efficient method for the location of transition states without the need to calculate the Hessian. Thus, it is especially useful in large systems with expensive gradient evaluations.

  6. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  8. 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.

  9. Direct molecular dynamics observation of protein folding transition state ensemble.

    PubMed Central

    Ding, Feng; Dokholyan, Nikolay V; Buldyrev, Sergey V; Stanley, H Eugene; Shakhnovich, Eugene I

    2002-01-01

    The concept of the protein transition state ensemble (TSE), a collection of the conformations that have 50% probability to convert rapidly to the folded state and 50% chance to rapidly unfold, constitutes the basis of the modern interpretation of protein engineering experiments. It has been conjectured that conformations constituting the TSE in many proteins are the expanded and distorted forms of the native state built around a specific folding nucleus. This view has been supported by a number of on-lattice and off-lattice simulations. Here we report a direct observation and characterization of the TSE by molecular dynamic folding simulations of the C-Src SH3 domain, a small protein that has been extensively studied experimentally. Our analysis reveals a set of key interactions between residues, conserved by evolution, that must be formed to enter the kinetic basin of attraction of the native state. PMID:12496119

  10. Excited-state quantum phase transition in the Rabi model

    NASA Astrophysics Data System (ADS)

    Puebla, Ricardo; Hwang, Myung-Joong; Plenio, Martin B.

    2016-08-01

    The Rabi model, a two-level atom coupled to a harmonic oscillator, can undergo a second-order quantum phase transition (QPT) [M.-J. Hwang et al., Phys. Rev. Lett. 115, 180404 (2015), 10.1103/PhysRevLett.115.180404]. Here we show that the Rabi QPT accompanies critical behavior in the higher-energy excited states, i.e., the excited-state QPT (ESQPT). We derive analytic expressions for the semiclassical density of states, which show a logarithmic divergence at a critical energy eigenvalue in the broken symmetry (superradiant) phase. Moreover, we find that the logarithmic singularities in the density of states lead to singularities in the relevant observables in the system such as photon number and atomic polarization. We corroborate our analytical semiclassical prediction of the ESQPT in the Rabi model with its numerically exact quantum mechanical solution.

  11. Space Sciences Education Program of Moscow State University

    NASA Astrophysics Data System (ADS)

    Krasotkin, S.; Radchenko, V.; Zhuravlev, V.

    2007-12-01

    The main purpose of the space sciences education program developed in Moscow State University is to incorporate modern space research in the university and high education and popularize basics of space physics. The First Russian University Satellite "Universitetskiy-Tatyana" launched on January 20, 2005 formed a basis for development of a new approach to the space-physics education. The onboard scientific complex, as well as the mission control and information-receiving center, was designed and developed in Moscow State University. The scientific program of the mission includes measurements of space radiation in various energy ranges, and UV luminosity and lightening from the Earth. Educational materials are concentrated to upper high school, junior and senior university levels. There was developed a special computerized hands-on exercises based on the experimental quasi-realtime data obtained from "Universitetskiy-Tatyana" satellite and other internet resources. Students specialized in space physics from several Russian universities are involved in scientific work based on various scientific data. Moscow State University is now extending its space science education program by creation the electronic textbooks on remote sensing, space factors and materials study, satellite design and development, etc. "Space schools" for university teachers and students were held in 2004 - 2007. The main objective of these schools was to attract interest to space research. The mutual idea of these schools was to join forces of Moscow State University scientists, university teachers and students. For modern university world, it is very important to understand what skills future space scientists and space industry employees must be equipped with. The space sciences educational activity of Moscow State University is a non-profit project and is open for all interested parties.

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

    PubMed

    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.

  14. 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…

  15. 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…

  16. 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…

  17. A United States regulator's perspective on the ongoing chlorofluorocarbon transition.

    PubMed

    Meyer, R J

    1999-12-01

    The Food and Drug Administration (FDA) put in place a general ban on the use of chlorofluorocarbons for the products it regulates (medical devices, drugs, and foods) in 1978, exempting those products where chlorofluorocarbon use was determined to be essential for the public health. In the intervening years, as the international commitment to a full transition away from all chlorofluorocarbon use took shape under the Montreal Protocol, the FDA has worked with industry to facilitate the development and testing of alternative technologies and products for inhalation drug products. As these alternative products begin to move from testing through the approval process and into marketing, the FDA is working collaboratively with the Environmental Protection Agency, other governmental agencies, and nongovernmental stakeholders to develop a transition policy for the United States. The transition policy for metered dose inhalers must be one that achieves the dual aims of first protecting the patients who rely on these vital medical products, while also achieving the public health need of protecting the ozone layer. As a part of developing such a transition strategy, the FDA published an advance notice of proposed rulemaking (ANPRM) in March 1997. The ANPRM proposed mechanisms by which the FDA could determine when chlorofluorocarbon use in a drug product could no longer be considered essential. The ANPRM resulted in a large amount of valuable public debate and input. The FDA is now working to incorporate the knowledge gained from these public comments as it continues the rule-making process.

  18. 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.

  19. The transition of ground-based space environmental effects testing to the space environment

    NASA Technical Reports Server (NTRS)

    Zaat, Stephen V.; Schaefer, Glen A.; Wallace, John F.

    1991-01-01

    The goal of the space flight program at the Center for Commercial Development of Space (CCDS)--Materials for Space Structures is to provide environmentally stable structural materials to support the continued humanization and commercialization of the space frontier. Information on environmental stability will be obtained through space exposure, evaluation, documentation, and subsequent return to the supplier of the candidate material for internal investigation. This program provides engineering and scientific service to space systems development firms and also exposes CCDS development candidate materials to space environments representative of in-flight conditions. The maintenance of a technological edge in space for NASA suggests the immediate search for space materials that maintain their structural integrity and remain environmentally stable. The materials being considered for long-lived space structures are complex, high strength/weight ratio composites. In order for these new candidate materials to qualify for use in space structures, they must undergo strenuous testing to determine their reliability and stability when subjected to the space environment. Ultraviolet radiation, atomic oxygen, debris/micrometeoroids, charged particles radiation, and thermal fatigue all influence the design of space structural materials. The investigation of these environmental interactions is the key purpose of this center. Some of the topics discussed with respect to the above information include: the Space Transportation System, mission planning, spaceborne experiments, and space flight payloads.

  20. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. 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

  3. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  5. 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

  6. Wannier function analysis of charge states in transition metal oxides

    NASA Astrophysics Data System (ADS)

    Quan, Yundi; Pickett, Warren

    2015-03-01

    The charge (or oxidation) state of a cation has been a crucial concept in analyzing the electronic and magnetic properties of oxides as well as interpreting ``charge ordering'' metal-insulator transitions. In recent years a few methods have been proposed for the objective identification of charge states, beyond the conventional (and occasionally subjective) use of projected densities of states, weighted band structures (fatbands), and Born effective charges. In the past two decades Wannier functions (WFs) and particularly maximally localized WFs (MLWFs), have become an indispensable tool for several different purposes in electronic structure studies. These developments have motivated us to explore the charge state picture from the perspective of MLWFs. We will illustrate with a few transition metal oxide examples such as AgO and YNiO3 that the shape, extent, and location of the charge centers of the MLWFs provide insights into how cation-oxygen hybridization determines chemical bonding, charge distribution, and ``charge ordering.'' DOE DE-FG02-04ER46111.

  7. Fate of Extended States and Localization Transition at Weak Fields

    NASA Astrophysics Data System (ADS)

    Yang, Kun

    1997-03-01

    The reconciliation between the nonexistence of extended states in two dimensions in zero magnetic field, and the existence of critical energies in the high field limit, first addressed qualitatively (D. E. Khmelnitskii, Phys. Lett. A 106), 182 (1984); R. B. Laughlin, Phys. Rev. Lett. 52, 2304 (1984). a decade ago, has reemerged as a subject of considerable interest and debate, following experimental investigations in the two dimensional electron gas at low fields. We have addressed the problem on two fronts. For strong magnetic fields, where Landau level mixing effects are weak, we have developed a systematic analytic expansion in powers of 1\\over B. (F. D. M. Haldane and Kun Yang, Phys. Rev. Lett. 78), to appear. We find the dominant level repulsion effect (of order 1\\over B^2), lowers the energies of typical states in a Landau band. The critical energies, however, are not affected at this order. In contrast, we find that, the extended state energies levitates to order 1\\over B^3, thus reconciling levitation of extended states with level repulsion due to Landau level mixing. In the regime of weak magnetic field and strong Landau level mixing, where the perturbative approach is not applicable, we have performed a numerical study on lattice models, (Kun Yang and R. N. Bhatt, Phys. Rev. Lett. 76), 1316 (1996). which provides evidence for this levitation at weak magnetic field. Furthermore, we obtain a localization transition to an insulating phase at weak field, and a finite size scaling analysis shows that the localization length diverges at this transition with an exponent that is the same as that of the plateau transitions in the strong field regime, ν≈ 2.3. Relations between our theoretical results and experimental findings will be discussed.

  8. 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.

  9. 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.

  10. Mechanical induction of transitions into mesenchymal and amoeboid states

    NASA Astrophysics Data System (ADS)

    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.

  11. Transit spectroscopy with James Webb Space Telescope: systematics, starspots and stitching

    NASA Astrophysics Data System (ADS)

    Barstow, J. K.; Aigrain, S.; Irwin, P. G. J.; Kendrew, S.; Fletcher, L. N.

    2015-04-01

    The James Webb Space Telescope (JWST) is predicted to make great advances in the field of exoplanet atmospheres. Its 25 m2 mirror means that it can reach unprecedented levels of precision in observations of transit spectra, and can thus characterize the atmospheres of planets orbiting stars several hundred pc away. Its coverage of the infrared spectral region between 0.6 and 28 μm allows the abundances of key molecules to be probed during the transit of a planet in front of the host star, and when the same planet is eclipsed constraints can be placed on its temperature structure. In this work, we explore the possibility of using low-spectral-resolution observations by JWST/Near-Infrared Spectrograph and JWST/Mid-Infrared Instrumen-Low Resolution Spectrometer together to optimize wavelength coverage and break degeneracies in the atmospheric retrieval problem for a range of exoplanets from hot Jupiters to super-Earths. This approach involves stitching together non-simultaneous observations in different wavelength regions, rendering it necessary to consider the effect of time-varying instrumental and astrophysical systematics. We present the results of a series of retrieval feasibility tests examining the effects of instrument systematics and starspots on the recoverability of the true atmospheric state, and demonstrate that correcting for these systematics is key for successful exoplanet science with JWST.

  12. 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.

  13. Control of State Transitions in Complex and Biophysical Networks

    NASA Astrophysics Data System (ADS)

    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.

  14. 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

  15. Configuration-dependent diffusion can shift the kinetic transition state and barrier height of protein folding

    PubMed Central

    Chahine, Jorge; Oliveira, Ronaldo J.; Leite, Vitor B. P.; Wang, Jin

    2007-01-01

    We show that diffusion can play an important role in protein-folding kinetics. We explicitly calculate the diffusion coefficient of protein folding in a lattice model. We found that diffusion typically is configuration- or reaction coordinate-dependent. The diffusion coefficient is found to be decreasing with respect to the progression of folding toward the native state, which is caused by the collapse to a compact state constraining the configurational space for exploration. The configuration- or position-dependent diffusion coefficient has a significant contribution to the kinetics in addition to the thermodynamic free-energy barrier. It effectively changes (increases in this case) the kinetic barrier height as well as the position of the corresponding transition state and therefore modifies the folding kinetic rates as well as the kinetic routes. The resulting folding time, by considering both kinetic diffusion and the thermodynamic folding free-energy profile, thus is slower than the estimation from the thermodynamic free-energy barrier with constant diffusion but is consistent with the results from kinetic simulations. The configuration- or coordinate-dependent diffusion is especially important with respect to fast folding, when there is a small or no free-energy barrier and kinetics is controlled by diffusion. Including the configurational dependence will challenge the transition state theory of protein folding. The classical transition state theory will have to be modified to be consistent. The more detailed folding mechanistic studies involving phi value analysis based on the classical transition state theory also will have to be modified quantitatively. PMID:17804812

  16. Conformational States of Human Purine Nucleoside Phosphorylase at Rest, at Work and with Transition State Analogues†

    PubMed Central

    Edwards, Achelle A.; Tipton, Jeremiah D.; Brenowitz, Michael D.; Emmett, Mark R.; Marshall, Alan G.; Evans, Gary B.; Tyler, Peter C.; Schramm, Vern L.

    2010-01-01

    Human purine nucleoside phosphorylase (PNP) is a homotrimer binding tightly to the transition state analogues Immucillin-H (ImmH, Kd = 56 pM) and DATMe-ImmH-Immucillin-H (DATMe-ImmH, Kd = 8.6 pM). ImmH binds with a larger entropic penalty than DATMe-ImmH, a chemically more flexible inhibitor. The testable hypothesis is that PNP conformational states are more relaxed (dynamic) with DATMe-ImmH, despite tighter binding than with ImmH. PNP conformations are probed by peptide amide deuterium exchange (HDX) using liquid chromatography high-resolution Fourier transform ion cyclotron resonance mass spectrometry and by sedimentation rates. Catalytically equilibrating Michaelis complexes (PNP•PO4•Inosine ↔ PNP•Hx•R-1-P) and inhibited complexes (PNP•PO4•DATMe-ImmH and PNP•PO4•ImmH) show protection from HDX at 9, 13 and 15 sites per subunit relative to resting PNP (PNP•PO4) in extended incubations. The PNP•PO4•ImmH complex is more compact (by sedimentation rate) than the other complexes. HDX kinetic analysis of ligand-protected sites corresponds to peptides near the catalytic sites. HDX and sedimentation results establish that PNP protein conformation (dynamic motion) correlates more closely to entropy of binding than to affinity. Catalytically active turnover with saturated substrate sites causes less change in HDX and sedimentation rates than binding of transition state analogues. DATMe-ImmH more closely mimics the transition of human PNP than does ImmH, and achieves strong binding interactions at the catalytic site while causing relatively modest alterations of the protein dynamic motion. Transition state analogues causing the most rigid, closed protein conformation are therefore not necessarily the most tightly bound. Close mimics of the transition state are hypothesized to retain enzymatic dynamic motions related to transition state formation. PMID:20108972

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

    NASA Astrophysics Data System (ADS)

    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.

  18. 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

  19. 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.

  20. Transition state and ground state properties of the helix–coil transition in peptides deduced from high-pressure studies

    PubMed Central

    Neumaier, Sabine; Büttner, Maren; Bachmann, Annett; Kiefhaber, Thomas

    2013-01-01

    Volume changes associated with protein folding reactions contain valuable information about the folding mechanism and the nature of the transition state. However, meaningful interpretation of such data requires that overall volume changes be deconvoluted into individual contributions from different structural components. Here we focus on one type of structural element, the α-helix, and measure triplet–triplet energy transfer at high pressure to determine volume changes associated with the helix–coil transition. Our results reveal that the volume of a 21-amino-acid alanine-based peptide shrinks upon helix formation. Thus, helices, in contrast with native proteins, become more stable with increasing pressure, explaining the frequently observed helical structures in pressure-unfolded proteins. Both helix folding and unfolding become slower with increasing pressure. The volume changes associated with the addition of a single helical residue to a preexisting helix were obtained by comparing the experimental results with Monte Carlo simulations based on a kinetic linear Ising model. The reaction volume for adding a single residue to a helix is small and negative (−0.23 cm3 per mol = −0.38 Å3 per molecule) implying that intrahelical hydrogen bonds have a smaller volume than peptide-water hydrogen bonds. In contrast, the transition state has a larger volume than either the helical or the coil state, with activation volumes of 2.2 cm3/mol (3.7 Å3 per molecule) for adding and 2.4 cm3/mol (4.0 Å3 per molecule) for removing one residue. Thus, addition or removal of a helical residue proceeds through a transitory high-energy state with a large volume, possibly due to the presence of unsatisfied hydrogen bonds, although steric effects may also contribute. PMID:24324160

  1. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    Morimae, Tomoyuki

    2011-04-01

    In the framework of the computational tensor network [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.98.220503 98, 220503 (2007)], the quantum computation is performed in a virtual linear space called the correlation space. It was recently shown [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.103.050503 103, 050503 (2009)] that a state in a correlation space can be downloaded to the real physical space. In this paper, conversely, we study how to upload a state from a real physical space to the correlation space. After showing the impossibility of cloning a state between a real physical space and the correlation space, we propose a simple teleportation-like method of uploading. This method also enables the Gottesman-Chuang gate teleportation trick and entanglement swapping in the virtual-real hybrid setting. Furthermore, compared with the inverse of the downloading method by Cai [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.103.050503 103, 050503 (2009)], which also works to upload, the proposed uploading method has several advantages.

  4. Space research scientific and educational project of Moscow State University

    NASA Astrophysics Data System (ADS)

    Krasotkin, S. A.; Mjagkova, I. N.; Panasyuk, M. I.; Radchenko, V. V.; Ryazantseva, M. O.

    The scientific and educational project of space research was initiated in Lomonosov Moscow State University in order to incorporate modern space research in the university and high education, to popularize basics of space physics, and to enhance public interest in space exploration. On 20 January, 2005 the First Russian University Satellite UNIVERSITETSKIY 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 center, was designed and developed in Moscow State University. The scientific program of the mission include measurements of space radiation in different energy channels, and Earth UV luminosity and lightening. A multimedia lectures "Life of the Earth in the Solar Atmosphere" containing the basic information and demonstrations of the 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 was created a dozen of special computerized lab exercises based on the experimental quasi-realtime data obtained from our satellites. Students specialized in space physics from a few Russian universities are involved in scientific work based. Educational program of the project (both the multimedia lectures and lab exercises) is concentrated to upper high school, middle university and special level for space physics students. The space research scientific and educational activity of Moscow State University is a non-profit project and is open for all interested parties.

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

    NASA Astrophysics Data System (ADS)

    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.

  6. High spin states in the transitional nucleus88Mo

    NASA Astrophysics Data System (ADS)

    Weiszflog, M.; Lieb, K. P.; Cristancho, F.; Gross, C. J.; Jungclaus, A.; Rudolph, D.; Grawe, H.; Heese, J.; Maier, K.-H.; Schubart, R.; Eberth, J.; Skoda, S.

    1992-09-01

    The reaction58Ni(36Ar, α q ρ)88Mo has been studied at 145 MeV beam energy. A detector array consisting of the OSIRIS spectrometer, four charged-particle ΔE detectors and seven NE213 neutron detectors has been used to meaure the gamma radiation in γγ- and particle- γγ-coincidence mode. The level scheme of88Mo has been extended up to 11.6 MeV excitation energy and probable spin 23 ħ; some 70 transitions and 40 levels have been identified. Spin assignments have been proposed on the basis of measured DCO ratios. Hartree Fock cranking calculations of the Total Routhians and shell model calculations of the high spin states are presented which imply near-sphericity of the yrast line up to the highest spins found. A classification of the high spin states according to their leading seniority is proposed.

  7. Monte Carlo method for determining free-energy differences and transition state theory rate constants

    SciTech Connect

    Voter, A.F.

    1985-02-15

    We present a new Monte Carlo procedure for determining the Helmholtz free-energy difference between two systems that are separated in configuration space. Unlike most standard approaches, no integration over intermediate potentials is required. A Metropolis walk is performed for each system, and the average Metropolis acceptance probability for a hypothetical step along a probe vector into the other system is accumulated. Either classical or quantum free energies may be computed, and the procedure is also ideally suited for evaluating generalized transition state theory rate constants. As an application we determine the relative free energies of three configurations of a tungsten dimer on the W(110) surface.

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

    NASA Astrophysics Data System (ADS)

    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).

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

    NASA Astrophysics Data System (ADS)

    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.

  10. Glycosylasparaginase inhibition studies: competitive inhibitors, transition state mimics, noncompetitive inhibitors.

    PubMed

    Risley, J M; Huang, D H; Kaylor, J J; Malik, J J; Xia, Y Q

    2001-01-01

    Glycosylasparaginase catalyzes the hydrolysis of the N-glycosylic bond between asparagine and N-acetylglucosamine in the catabolism of N-linked glycoproteins. Previously only three competitive inhibitors, one noncompetitive inhibitor, and one irreversible inhibitor of glycosylasparaginase activity had been reported. Using human glycosylasparaginase from human amniotic fluid, L-aspartic acid and four of its analogues, where the alpha-amino group was substituted with a chloro, bromo, methyl or hydrogen, were competitive inhibitors having Ki values between 0.6-7.7 mM. These results provide supporting evidence for a proposed intramolecular autoproteolytic activation reaction. A proposed phosphono transition state mimic and a sulfo transition state mimic were competitive inhibitors with Ki values 0.9 mM and 1.4 mM, respectively. These results support a mechanism for the enzyme-catalyzed reaction involving formation of a tetrahedral high-energy intermediate. Three analogues of the natural substrate were noncompetitive inhibitors with Ki values between 0.56-0.75 mM, indicating the presence of a second binding site that may recognize (substituted)acetamido groups.

  11. 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

  12. Transition states of magnetization reversal in ferromagnetic nanorings

    NASA Astrophysics Data System (ADS)

    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)

  13. 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.

  14. 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

  15. 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.

  16. Issue Space Utilization in State Natural Resource Magazines.

    ERIC Educational Resources Information Center

    Stromp, Bruce A.

    State natural resource magazines' tremendous potential as information sources and their unique economic situation led to this study of space utilization in individual issues. Three issues from each of 40 state magazines published in the summer of 1977 were divided into five subscription-rate and four staff-size categories. Category averages for…

  17. 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.

  18. State-Space Stabilizing Controllers for Descriptor Systems

    NASA Astrophysics Data System (ADS)

    Inoue, Masaki; Wada, Teruyo; Ikeda, Masao; Uezato, Eiho

    This paper considers stabilization of linear time-invariant descriptor systems by dynamic output feedback controllers. We deal with general descriptor systems including those being irregular or impulsive, and derive state-space stabilizing controllers. On the derivation process of the state-space controllers, we first consider descriptor-type controllers. We present a necessary and sufficient condition for the existence of a descriptor-type controller which makes the closed-loop descriptor system regular, impulse-free, and stable. The condition is expressed in terms of linear matrix inequalities (LMIs), and we show that coefficient matrices of any descriptor-type stabilizing controller of the same size as the given descriptor system can be represented by the solution of the LMIs. Then, we present a necessary and sufficient condition for the descriptor-type controller to be transformable to an input-output equivalent state-space controller with the dimension of the dynamic order (the rank of the coefficient matrix for the time-derivative of the descriptor variable) of the given descriptor system, that is, a state-space stabilizing controller. The transformability condition is mild and almost always satisfied by the obtained descriptor-type controller. Furthermore, even if the transformability condition is not satisfied, a slightly modified solution of the LMIs, which always exists, gives a descriptor-type controller being transformable to a state-space controller. The transformation is carried out analytically, thus the coefficient matrices of any such state-space stabilizing controller can be expressed by the solution of the LMIs. We also reveal that if we restrict the classes of descriptor systems or descriptor-type controllers such that their transfer functions are strictly proper, the descriptor-type controllers obtained by the LMI condition are always transformable to state-space controllers.

  19. Coherent states on horospheric three-dimensional Lobachevsky space

    NASA Astrophysics Data System (ADS)

    Kurochkin, Yu.; Rybak, I.; Shoukavy, Dz.

    2016-08-01

    In the paper it is shown that due to separation of variables in the Laplace-Beltrami operator (Hamiltonian of a free quantum particle) in horospheric and quasi-Cartesian coordinates of three dimensional Lobachevsky space, it is possible to introduce standard ("conventional" according to Perelomov [Generalized Coherent States and Their Applications (Springer-Verlag, 1986), p. 320]) coherent states. Some problems (oscillator on horosphere, charged particle in analogy of constant uniform magnetic field) where coherent states are suitable for treating were considered.

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

    NASA Astrophysics Data System (ADS)

    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.

  1. 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.

  2. Equations of state and phase transitions in stellar matter

    SciTech Connect

    Raduta, Ad. R.; Gulminelli, F.; Aymard, F.; Oertel, M.; Margueron, J.

    2014-05-09

    Realistic description of core-collapsing supernovae evolution and structure of proto-neutron stars chiefly depends on microphysics input in terms of equations of state, chemical composition and weak interaction rates. At sub-saturation densities the main uncertainty comes from the symmetry energy. Within a nuclear statistical equilibrium (NSE) model with consistent treatment of clusterized and unbound components we investigate the meaning of symmetry energy in the case of dis-homogeneous systems, as the one thought to constitute the neutron star crust, and its sensitivity to the isovector properties of the effective interaction. At supra-saturation densities the situation is much more difficult because of the poor knowledge of nucleon-hyperon and hyperon-hyperon interactions and thermodynamic behavior in terms of phase transitions. Within a simple (npΛ) model we show that compressed baryonic matter with strangeness manifests a complex phase diagram with first and second order phase transitions. The fact that both are explored under strangeness chemical equilibrium and survive Coulomb suggests that they might have sizable consequences on star evolution. An example in this sense is the drastic reduction of the neutrino-mean free path in the vicinity of the critical point obtained within RPA which would lead to a less rapid star cooling.

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

    NASA Astrophysics Data System (ADS)

    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

  4. Equation of state and QCD transition at finite temperature

    SciTech Connect

    Bazavov, A; Bhattacharya, T; Cheng, M; Christ, N H; DeTar, C; Ejiri, S; Gottlieb, S; Gupta, R; Heller, U M; Huebner, K; Jung, C; Karsch, F; Laermann, E; Levkova, L; Miao, C; Mawhinney, R D; Petreczky, P; Schmidt, C; Soltz, R A; Soeldner, W; Sugar, R; Toussaint, D; Vranas, P

    2009-03-25

    We calculate the equation of state in 2+1 flavor QCD at finite temperature with physical strange quark mass and almost physical light quark masses using lattices with temporal extent N{sub {tau}} = 8. Calculations have been performed with two different improved staggered fermion actions, the asqtad and p4 actions. Overall, we find good agreement between results obtained with these two O(a{sup 2}) improved staggered fermion discretization schemes. A comparison with earlier calculations on coarser lattices is performed to quantify systematic errors in current studies of the equation of state. We also present results for observables that are sensitive to deconfining and chiral aspects of the QCD transition on N{sub {tau}} = 6 and 8 lattices. We find that deconfinement and chiral symmetry restoration happen in the same narrow temperature interval. In an Appendix we present a simple parametrization of the equation of state that can easily be used in hydrodynamic model calculations. In this parametrization we also incorporated an estimate of current uncertainties in the lattice calculations which arise from cutoff and quark mass effects. We estimate these systematic effects to be about 10 MeV.

  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. 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.

  7. 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.

  8. 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

  9. Confinement-deconfinement transition in the algebraic RVB states

    NASA Astrophysics Data System (ADS)

    Pei, Ji-Quan; Jian, Shao-Kai; Yao, Hong

    2015-03-01

    Deconfined algebraic spin liquids are usually expected when Gutzwiller projecting the non-interacting wave function of half-filled electrons on the square lattice with staggered flux ϕ. However, our large-scale variational Monte Carlo simulations show that there is the confinement-deconfinement transition at ϕ =ϕc where ϕc ~ 0 . 2 is the critical flux. When 0 < ϕ <ϕc , spinors are confined and the ground state develops an unexpected antiferromagnetic Neel ordering. From renormalization group analysis of anisotropic Dirac fermions coupled with U(1) compact gauge fields, we argue that the confinement of spinors in the Gutzwiller projected wave function might be due to the large anisotropy of Fermi velocity of Dirac fermions.

  10. Relativistic nuclear hydrodynamics and phase transition to the deconfinement state

    SciTech Connect

    Barz, H.W.; Kaempfer, B.; Lukacs, B.

    1987-11-01

    The possible formation of nuclear matter in the phase of a quark--gluon plasma in relativistic heavy-ion collisions is considered in the framework of a hydrodynamic approach. The main results are obtained in a single-fluid model of the formation of a baryon-enriched plasma and relate to nuclear collisions at energies up to 10 GeV/nucleon. At higher energies, a two-fluid model predicts the formation of a plasma in the fragmentation region, but the baryon density is much lower. In all the investigations, including scaling hydrodynamics in the baryon-depleted region of intermediate rapidities, allowance is made for a delayed phase transition to the deconfinement state. A generally covariant formulation of relativistic hydrodynamics is presented as a useful numerical method, together with some extensions of the methods of the standard theory (selection of comoving coordinates, allowance for sink terms, and two-fluid interaction).

  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.

  12. 31 CFR 560.406 - Transshipment or transit through the United States.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 31 Money and Finance:Treasury 3 2014-07-01 2014-07-01 false Transshipment or transit through the... SANCTIONS REGULATIONS Interpretations § 560.406 Transshipment or transit through the United States. (a) The prohibitions in § 560.201 apply to the importation into the United States, for transshipment or transit,...

  13. Near-optimal energy transitions for energy-state trajectories of hypersonic aircraft

    NASA Astrophysics Data System (ADS)

    Ardema, M. D.; Bowles, J. V.; Terjesen, E. J.; Whittaker, T.

    1992-08-01

    A problem of the instantaneous energy transition that occurs in energy-state approximation is considered. The transitions are modeled as a sequence of two load-factor bounded paths (either climb-dive or dive-climb). The boundary-layer equations associated with the energy-state dynamic model are analyzed to determine the precise location of the transition.

  14. 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…

  15. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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. PMID:27415384

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. 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.

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

    DOE PAGES

    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

  6. 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.

  7. Space science public outreach at Louisiana State University

    NASA Astrophysics Data System (ADS)

    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.

  8. Monte Carlo sampling from the quantum state space. I

    NASA Astrophysics Data System (ADS)

    Shang, Jiangwei; Seah, Yi-Lin; Khoon Ng, Hui; Nott, David John; Englert, Berthold-Georg

    2015-04-01

    High-quality random samples of quantum states are needed for a variety of tasks in quantum information and quantum computation. Searching the high-dimensional quantum state space for a global maximum of an objective function with many local maxima or evaluating an integral over a region in the quantum state space are but two exemplary applications of many. These tasks can only be performed reliably and efficiently with Monte Carlo methods, which involve good samplings of the parameter space in accordance with the relevant target distribution. We show how the standard strategies of rejection sampling, importance sampling, and Markov-chain sampling can be adapted to this context, where the samples must obey the constraints imposed by the positivity of the statistical operator. For illustration, we generate sample points in the probability space of qubits, qutrits, and qubit pairs, both for tomographically complete and incomplete measurements. We use these samples for various purposes: establish the marginal distribution of the purity; compute the fractional volume of separable two-qubit states; and calculate the size of regions with bounded likelihood.

  9. Parameter redundancy in discrete state-space and integrated models.

    PubMed

    Cole, Diana J; McCrea, Rachel S

    2016-09-01

    Discrete state-space models are used in ecology to describe the dynamics of wild animal populations, with parameters, such as the probability of survival, being of ecological interest. For a particular parametrization of a model it is not always clear which parameters can be estimated. This inability to estimate all parameters is known as parameter redundancy or a model is described as nonidentifiable. In this paper we develop methods that can be used to detect parameter redundancy in discrete state-space models. An exhaustive summary is a combination of parameters that fully specify a model. To use general methods for detecting parameter redundancy a suitable exhaustive summary is required. This paper proposes two methods for the derivation of an exhaustive summary for discrete state-space models using discrete analogues of methods for continuous state-space models. We also demonstrate that combining multiple data sets, through the use of an integrated population model, may result in a model in which all parameters are estimable, even though models fitted to the separate data sets may be parameter redundant.

  10. 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.

  11. The Apollo Number: Space Suits, Self-Support, and the Walk-Run Transition

    PubMed Central

    Carr, Christopher E.; McGee, Jeremy

    2009-01-01

    Background How space suits affect the preferred walk-run transition is an open question with relevance to human biomechanics and planetary extravehicular activity. Walking and running energetics differ; in reduced gravity (<0.5 g), running, unlike on Earth, uses less energy per distance than walking. Methodology/Principal Findings The walk-run transition (denoted *) correlates with the Froude Number (Fr = v2/gL, velocity v, gravitational acceleration g, leg length L). Human unsuited Fr* is relatively constant (∼0.5) with gravity but increases substantially with decreasing gravity below ∼0.4 g, rising to 0.9 in 1/6 g; space suits appear to lower Fr*. Because of pressure forces, space suits partially (1 g) or completely (lunar-g) support their own weight. We define the Apollo Number (Ap = Fr/M) as an expected invariant of locomotion under manipulations of M, the ratio of human-supported to total transported mass. We hypothesize that for lunar suited conditions Ap* but not Fr* will be near 0.9, because the Apollo Number captures the effect of space suit self-support. We used the Apollo Lunar Surface Journal and other sources to identify 38 gait events during lunar exploration for which we could determine gait type (walk/lope/run) and calculate Ap. We estimated the binary transition between walk/lope (0) and run (1), yielding Fr* (0.36±0.11, mean±95% CI) and Ap* (0.68±0.20). Conclusions/Significance The Apollo Number explains 60% of the difference between suited and unsuited Fr*, appears to capture in large part the effects of space suits on the walk-run transition, and provides several testable predictions for space suit locomotion and, of increasing relevance here on Earth, exoskeleton locomotion. The knowledge of how space suits affect gait transitions can be used to optimize space suits for use on the Moon and Mars. PMID:19672305

  12. 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…

  13. Model abstraction results using state-space system identifications

    NASA Astrophysics Data System (ADS)

    Popken, Douglas A.

    2000-06-01

    In this paper we report on state-space system identification approaches to dynamic behavioral abstraction of military simulation models. Two stochastic simulation models were identified under a variety of scenarios. The `Attrition Simulation' is a model of two opposing forces with multiple weapon system types. The `Mission Simulation' is a model of a squadron of aircraft performing battlefield air interdiction. Four system identification techniques: Maximum Entropy, Compartmental Models, Canonical State-Space Models, and Hidden Markov Models (HMM), were applied to these simulation models. The system identification techniques were evaluated on how well their resulting abstractions replicated the distributions of the simulation states as well as the decision outputs. Encouraging results were achieved by the HMM technique applied to the Attrition Simulation--and by the Maximum Entropy technique applied to the Mission Simulation.

  14. 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…

  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. Variable-cell double-ended surface walking method for fast transition state location of solid phase transitions.

    PubMed

    Zhang, Xiao-Jie; Liu, Zhi-Pan

    2015-10-13

    To identify the low energy pathway for solid-to-solid phase transition has been a great challenge in physics and material science. This work develops a new theoretical method, namely, variable-cell double-ended surface walking (VC-DESW) to locate the transition state (TS) and deduce the pathway in solid phase transition. Inherited from the DESW method ( J. Chem. Theory Comput. 2013 , 9 , 5745 ) for molecular systems, the VC-DESW method implements an efficient mechanism to couple the lattice and atom degrees of freedom. The method features with fast pseudopathway building and accurate TS location for solid phase transition systems without requiring expensive Hessian computation and iterative pathway optimization. A generalized coordinate, consisting of the lattice vectors and the scaled atomic coordinates, is designed for describing the crystal potential energy surface (PES), which is able to capture the anisotropic behavior in phase transition. By comparing with the existing method for solid phase transition in different systems, we show that the VC-DESW method can be much more efficient for finding the TS in crystal phase transition. With the combination of the recently developed unbiased stochastic surface walking pathway sampling method, the VC-DESW is further utilized to resolve the lowest energy pathway of SiO2 α-quartz to quartz-II phase transition from many likely reaction pathways. These new methods provide a powerful platform for understanding and predicting the solid phase transition mechanism and kinetics.

  17. Methods for finding transition states on reduced potential energy surfaces

    NASA Astrophysics Data System (ADS)

    Burger, Steven K.; Ayers, Paul W.

    2010-06-01

    Three new algorithms are presented for determining transition state (TS) structures on the reduced potential energy surface, that is, for problems in which a few important degrees of freedom can be isolated. All three methods use constrained optimization to rapidly find the TS without an initial Hessian evaluation. The algorithms highlight how efficiently the TS can be located on a reduced surface, where the rest of the degrees of freedom are minimized. The first method uses a nonpositive definite quasi-Newton update for the reduced degrees of freedom. The second uses Shepard interpolation to fit the Hessian and starts from a set of points that bound the TS. The third directly uses a finite difference scheme to calculate the reduced degrees of freedom of the Hessian of the entire system, and searches for the TS on the full potential energy surface. All three methods are tested on an epoxide hydrolase cluster, and the ring formations of cyclohexane and cyclobutenone. The results indicate that all the methods are able to converge quite rapidly to the correct TS, but that the finite difference approach is the most efficient.

  18. Iterative minimization algorithm for efficient calculations of transition states

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  20. 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

  1. Mantle transition zone discontinuities beneath the contiguous United States

    NASA Astrophysics Data System (ADS)

    Gao, Stephen S.; Liu, Kelly H.

    2014-08-01

    Using over 310,000 high-quality radial receiver functions recorded by the USArray and other seismic stations in the contiguous United States, the depths of the 410 km and 660 km discontinuities (d410 and d660) are mapped in over 1,000 consecutive overlapping circles with a radius of 1°. The average mantle transition zone (MTZ) thickness for both the western and central/eastern U.S. is within 3 km from the global average of 250 km, suggesting an overall normal MTZ temperature beneath both areas. The Pacific Coast Ranges and the southern Basin and Range Province are underlain by a depressed d410, indicating higher-than-normal temperature in the upper MTZ. The proposed Yellowstone and Raton hot spots are not associated with clear undulations of the MTZ discontinuities, but d410 beneath another proposed hot spot, Bermuda, is depressed significantly and d660 has a normal depth. Low-temperature regions are found in the upper MTZ associated with the subducted Juan de Fuca slab beneath the northern Rocky Mountains and in two circular areas beneath the northern Basin and Range Province and the southern Colorado Plateau. Part of the Great Plains is characterized by a depressed d660. This observation, when combined with results from seismic tomography, suggests the existence of a cold region in the lower MTZ, probably associated with subducted Farallon slab segments.

  2. 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

  3. 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

  4. Transition-state theory predicts clogging at the microscale

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    Hosom, John-Paul

    2009-04-01

    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 analogs of 5'-methylthioadenosine nucleosidase disrupt quorum sensing.

    SciTech Connect

    Gutierrez, J.; Crowder, T; Rinaldo-Matthis, A; Ho, M; Almo, S; Schramm, V

    2009-01-01

    5'-Methylthioadenosine/S-adenosylhomocysteine nucleosidase (MTAN) is a bacterial enzyme involved in S-adenosylmethionine-related quorum sensing pathways that induce bacterial pathogenesis factors. Transition state analogs MT-DADMe-Immucillin-A, EtT-DADMe-Immucillin-A and BuT-DADMe-Immucillin-A are slow-onset, tight-binding inhibitors of Vibrio cholerae MTAN (VcMTAN), with equilibrium dissociation constants of 73, 70 and 208 pM, respectively. Structural analysis of VcMTAN with BuT-DADMe-Immucillin-A revealed interactions contributing to the high affinity. We found that in V. cholerae cells, these compounds are potent MTAN inhibitors with IC50 values of 27, 31 and 6 nM for MT-, EtT- and BuT-DADMe-Immucillin-A, respectively; the compounds disrupt autoinducer production in a dose-dependent manner without affecting growth. MT- and BuT-DADMe-Immucillin-A also inhibited autoinducer-2 production in enterohemorrhagic Escherichia coli O157:H7 with IC{sub 50} values of 600 and 125 nM, respectively. BuT-DADMe-Immucillin-A inhibition of autoinducer-2 production in both strains persisted for several generations and caused reduction in biofilm formation. These results support MTAN's role in quorum sensing and its potential as a target for bacterial anti-infective drug design.

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

    NASA Astrophysics Data System (ADS)

    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

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    Liang, Yulan; Kelemen, Arpad

    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

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

    PubMed

    Liang, Yulan; Kelemen, Arpad

    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.

  11. 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

  12. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

  14. Evaluating transition state structures of vanadium-phosphatase protein complexes using shape analysis.

    PubMed

    Sánchez-Lombardo, Irma; Alvarez, Santiago; McLauchlan, Craig C; Crans, Debbie C

    2015-06-01

    Shape analysis of coordination complexes is well-suited to evaluate the subtle distortions in the trigonal bipyramidal (TBPY-5) geometry of vanadium coordinated in the active site of phosphatases and characterized by X-ray crystallography. Recent studies using the tau (τ) analysis support the assertion that vanadium is best described as a trigonal bipyramid, because this geometry is the ideal transition state geometry of the phosphate ester substrate hydrolysis (C.C. McLauchlan, B.J. Peters, G.R. Willsky, D.C. Crans, Coord. Chem. Rev. http://dx.doi.org/10.1016/j.ccr.2014.12.012 ; D.C. Crans, M.L. Tarlton, C.C. McLauchlan, Eur. J. Inorg. Chem. 2014, 4450-4468). Here we use continuous shape measures (CShM) analysis to investigate the structural space of the five-coordinate vanadium-phosphatase complexes associated with mechanistic transformations between the tetrahedral geometry and the five-coordinate high energy TBPY-5 geometry was discussed focusing on the protein tyrosine phosphatase 1B (PTP1B) enzyme. No evidence for square pyramidal geometries was observed in any vanadium-protein complexes. The shape analysis positioned the metal ion and the ligands in the active site reflecting the mechanism of the cleavage of the organic phosphate in a phosphatase. We identified the umbrella distortions to be directly on the reaction path between tetrahedral phosphate and the TBPY-5-types of high-energy species. The umbrella distortions of the trigonal bipyramid are therefore identified as being the most relevant types of transition state structures for the phosphoryl group transfer reactions for phosphatases and this may be related to the possibility that vanadium is an inhibitor for enzymes that support both exploded and five-coordinate transition states.

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

    NASA Astrophysics Data System (ADS)

    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. State space reconstruction in the presence of noise

    NASA Astrophysics Data System (ADS)

    Casdagli, Martin; Eubank, Stephen; Farmer, J. Doyne; Gibson, John

    1991-08-01

    Takens' theorem demonstrates that in the absence of noise a multidimensional state space can be reconstructed from a scalar time series. This theorem gives little guidance, however, about practical considerations for reconstructing a good state space. We extend Takens' treatment, applying statistical methods to incorporate the effects of observational noise and estimation error. We define the distortion matrix, which is proportional to the conditional covariance of a state, given a series of noisy measurements, and the noise amplification, which is proportional to root-square time series prediction errors with an ideal model. We derive explicit formulae for these quantities, and we prove that in the low noise limit minimizing the distortion is equivalent to minimizing the noise amplification. We identify several different scaling regimes for distortion and noise amplification, and derive asymptotic scaling laws. When the dimension and Lyapunov exponents are sufficiently large these scaling laws show that, no matter how the state space is reconstructed, there is an explosion in the noise amplification - from a practical point of view determinism is lost, and the time series is effectively a random process. In the low noise, large data limit we show that the technique of local singular value decomposition is an optimal coordinate transformation, in the sense that it achieves the minimum distortion in a state space of the lowest possible dimension. However, in numerical experiments we find that estimation error complicates this issue. For local approximation methods, we analyze the effect of reconstruction on estimation error, derive a scaling law, and suggest an algorithm for reducing estimation errors.

  17. 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...

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

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 31 Money and Finance:Treasury 3 2014-07-01 2014-07-01 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 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...

  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 560.406 - Transshipment or transit through United States prohibited.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 31 Money and Finance:Treasury 3 2011-07-01 2011-07-01 false Transshipment or transit through... TRANSACTIONS REGULATIONS Interpretations § 560.406 Transshipment or transit through United States prohibited... or transit, of Iranian-origin goods or goods owned or controlled by the Government of Iran which...

  2. 31 CFR 593.413 - Transshipment or transit through the United States prohibited.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 31 Money and Finance:Treasury 3 2011-07-01 2011-07-01 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...

  3. 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.

  4. Youth and administrator perspectives on transition in Kentucky's state agency schools.

    PubMed

    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 defined within alternative education programs; key strengths of transition practice are present in nontraditional schools; and the coordination barriers within this fluid inter-agency transition system are most apparent in students' frequent inter-setting transitions between nontraditional and home schools.

  5. Discontinuous transition of molecular-hydrogen chain to the quasiatomic state: Combined exact diagonalization and ab initio approach

    NASA Astrophysics Data System (ADS)

    Kådzielawa, Andrzej P.; Biborski, Andrzej; Spałek, Józef

    2015-10-01

    We obtain in a direct and rigorous manner a transition from a stable molecular-hydrogen n H2 single chain to the quasiatomic two-chain 2 n H state. We devise a method composed of an exact diagonalization in the Fock space combined with an ab initio adjustment of the single-particle wave function in the correlated state. In this approach the well-known problem of double counting the interparticle interaction does not arise at all. The transition is strongly discontinuous, and appears even for relatively short chains that are possible to tackle, n =3 -6 . The signature of the transition as a function of applied force is a discontinuous change of the equilibrium intramolecular distance. The corresponding change of the Hubbard ratio U /W reflects the Mott-Hubbard transition aspect of atomization. A universal feature of the transition relation to the Mott criterion for the insulator-metal transition is also noted. The role of electron correlations is thus shown to be of fundamental significance in this case. The long-range nature of Coulomb interactions is included.

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

    NASA Astrophysics Data System (ADS)

    Gharaee, Zahra; Fatehi, Alireza; Mirian, Maryam S.; Nili Ahmadabadi, Majid

    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.

  7. 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.

  8. 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.

  9. Mantle Transition Zone Discontinuities beneath the Contiguous United States

    NASA Astrophysics Data System (ADS)

    Gao, S. S.; Liu, K. H.

    2014-12-01

    The depths of the 410 km (d410) and 660 km (d660) discontinuities are robust indicators of in-situ temperature in the upper and lower boundary, respectively, of the mantle transition zone (MTZ), and thus can provide critical constraints on the depth extent of major tectonic features. Using over 310,000 high-quality radial receiver functions recorded by the USArray and other seismic stations in the contiguous United States, the depths of the d410 and d660 are mapped in over 1000 consecutive overlapping circles with a radius of 1 degree. The average MTZ thickness for both the western and central/eastern US is within 3 km from the global average of 250 km, suggesting an overall normal MTZ temperature beneath both areas. The Pacific Coast Ranges and the southern Basin and Range Province are underlain by a depressed d410, indicating higher-than-normal temperature in the upper MTZ. The proposed Yellowstone and Raton hotspots are not associated with clear undulations of the MTZ discontinuities, but d410 beneath another proposed hotspot, Bermuda, is depressed significantly and d660 has a normal depth. Low-temperature regions are found in the upper MTZ associated with the subducted Juan de Fuca slab beneath the northern Rocky Mountains, and in two circular areas beneath the northern Basin and Range Province and the southern Colorado Plateau. Part of the Great Plains is characterized by a depressed d660. This observation, when combined with results from seismic tomography, suggests the existence of a cold region in the lower MTZ, probably associated with subducted Farallon slab segments.

  10. 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

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

    NASA Astrophysics Data System (ADS)

    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.

  12. 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

  13. Transitions in the computational power of thermal states for measurement-based quantum computation

    SciTech Connect

    Barrett, Sean D.; Bartlett, Stephen D.; Jennings, David; Doherty, Andrew C.; Rudolph, Terry

    2009-12-15

    We show that the usefulness of the thermal state of a specific spin-lattice model for measurement-based quantum computing exhibits a transition between two distinct 'phases' - one in which every state is a universal resource for quantum computation, and another in which any local measurement sequence can be simulated efficiently on a classical computer. Remarkably, this transition in computational power does not coincide with any phase transition, classical, or quantum in the underlying spin-lattice model.

  14. 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...

  15. 45 CFR 150.221 - Transition to State enforcement.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... to ensure that a transition is effected with respect to the following: (1) Consumer complaints and... negotiate a process to ensure that, to the extent practicable, and as permitted by law, its...

  16. 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...

  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. 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...

  19. 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. § 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...

  20. Space Monitoring Data Center at Moscow State University

    NASA Astrophysics Data System (ADS)

    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.

  1. 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.

  2. Transitive and intransitive gesture execution and observation compared to resting state: the hemodynamic measures (fNIRS).

    PubMed

    Balconi, Michela; Vanutelli, Maria Elide; Bartolo, Angela; Cortesi, Livia

    2015-09-01

    The present study explored cortical correlates of gesture execution and observation in peripersonal space, using functional near-infrared spectroscopy (fNIRS). Moreover, a direct comparison was realized between resting state condition and execution/observation. Meaningful gestures produced in the presence (transitive action) or in the absence (intransitive action) of the object were considered in a real context (situated representation of gestures). Subjects were required to execute or observe transitive versus intransitive gestures during fNIRS registration. Gesture execution was related to higher brain activity (increased oxygenated hemoglobin levels) with respect to observation in motor areas (premotor cortex, PMC; supplementary motor cortex, SM1). In contrast, the posterior parietal cortex was similarly activated in case of both execution and observation task. Moreover, both tasks showed increased brain activity within these areas compared to resting state. Finally, it was shown that action execution and observation of transitive gestures was supported by similar parietal posterior areas. These findings support the hypothesis of a partial common network for observation and execution of gestures within peripersonal space, mainly in transitive condition. PMID:26224278

  3. 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

  4. 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.

  5. Stability of multifinger action in different state spaces.

    PubMed

    Reschechtko, Sasha; Zatsiorsky, Vladimir M; Latash, Mark L

    2014-12-15

    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

  6. Stability of multifinger action in different state spaces

    PubMed Central

    Reschechtko, Sasha; Zatsiorsky, Vladimir M.

    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

  7. 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

  8. Electronic nature of the transition state for nucleoside hydrolase. A blueprint for inhibitor design.

    PubMed

    Horenstein, B A; Schramm, V L

    1993-07-20

    A new approach to understanding transition-state structure is presented which involves the sequential application of experimental and computational methods. A family of experimentally determined kinetic isotope effects is fit simultaneously in a vibrational analysis to provide a geometric model of the transition state. The electrostatic potential surface of the geometric model is defined by molecular orbital calculations to detail the electronic nature of the transition state. The method provides both geometric and charge information for the enzyme-stabilized transition state. Electrostatic potential surface calculations were applied to the N-glycohydrolase reaction catalyzed by nucleoside hydrolase from the trypanosome Crithidia fasciculata. A geometric model of the transition-state structure for the enzymatic hydrolysis of inosine by nucleoside hydrolase has been established by the analysis of a family of kinetic isotope effects [Horenstein, B.A., Parkin, D.W., Estupinan, B., & Schramm, V.L. (1991) Biochemistry 30, 10788]. The transition state has substantial oxycarbonium ion character, but the results of electrostatic potential calculations indicate that the transition-state charge is distributed over the ribosyl ring rather than existing as a localized C+-O<==>C = O+ resonance pair. The electrostatic potential surfaces of the substrate and enzyme-bound products differ considerably from that of the transition state. At the transition state both hypoxanthine and ribose demonstrate regions of positive charge. The positive charge on the ribosyl oxycarbonium ion is moderated by association with an enzyme-directed water nucleophile. The enzyme-bound products contain adjacent areas of negative charge. The electrostatic potential surfaces provide novel insights into transition-state structure and the forces causing release of products.(ABSTRACT TRUNCATED AT 250 WORDS)

  9. 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

  10. Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory.

    PubMed

    Hele, Timothy J H; Althorpe, Stuart C

    2013-02-28

    Surprisingly, there exists a quantum flux-side time-correlation function which has a non-zero t → 0+ limit and thus yields a rigorous quantum generalization of classical transition-state theory (TST). In this Part I of two articles, we introduce the new time-correlation function and derive its t → 0+ limit. The new ingredient is a generalized Kubo transform which allows the flux and side dividing surfaces to be the same function of path-integral space. Choosing this function to be a single point gives a t → 0+ limit which is identical to an expression introduced on heuristic grounds by Wigner in 1932; however, this expression does not give positive-definite quantum statistics, causing it to fail while still in the shallow-tunnelling regime. Positive-definite quantum statistics is obtained only if the dividing surface is invariant to imaginary-time translation, in which case the t → 0+ limit is identical to ring-polymer molecular dynamics (RPMD) TST. The RPMD-TST rate is not a strict upper bound to the exact quantum rate, but is a good approximation to one if real-time coherence effects are small. Part II will show that the RPMD-TST rate is equal to the exact quantum rate in the absence of recrossing.

  11. 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.

  12. Ozonolysis reactions of monoterpenes: a variational transition state investigation.

    PubMed

    Oliveira, R C de M; Bauerfeldt, G F

    2015-03-26

    The O3-initiated oxidation reactions of α-pinene ([1S,5S]-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene), β-pinene ([1R,5R]-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane), camphene ([1R,4S]-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) and sabinene ([1R,5R]-4-methylene-1-(1-methylethyl)bicycle[3.1.0]hexane), four monoterpenes typically emitted into the atmosphere, were studied at the B3LYP/6-31+G(2d,2p) level of theory. The rate coefficients were calculated on the basis of the variational transition state theory for two kinetic models, in order to investigate the reaction mechanism: first assuming a direct bimolecular reaction and the second, assuming the formation of a prebarrier-complex, which further reacts forming the corresponding molozonide. The barrier heights leading to the formation of exo-conformers of the molozonides of α-pinene and camphene are lower than the barrier heights for the formation of the endo-conformers of these molozonides, whereas the inverse trend is observed for β-pinene and sabinene. The canonical variational rate coefficients are found in reasonable agreement with the experimental data, especially when the prebarrier complexes are considered. Microcanonical variational rate coefficients are also calculated, as a final validation test, being found in an expected agreement with the canonical rate coefficients. The best predictions for the rate coefficients at 298 K, based on the microcanonical variational method, for α-pinene, β-pinene, camphene, and sabine are (in units cm(3) molecule(-1) s(-1)): 6.92 × 10(-17), 1.06 × 10(-17), 4.61 × 10(-19), and 4.81 × 10(-17), respectively. Our results suggest that the prebarrier complex is an important specie in the ozone addition mechanism and should be taken into account for the proper description of the overall kinetics.

  13. Lithuanian health care in transitional state: ethical problems

    PubMed Central

    Jakušovaitė, Irayda; Darulis, Žilvinas; Žekas, Romualdas

    2005-01-01

    Background Throughout the economic and political reforms in post-communist countries, significant changes have also occurred in public morality. One of the tasks of the Lithuanian health policy is to create mechanisms for strengthening the significance of ethical considerations in the decision-making processes concerning health care of individuals and groups of individuals, as well as considering the positions of physicians and the health care system itself in a general way. Thus, health care ethics could be analyzed at two levels: the micro level (the ethics of doctor-patient relationships) and the macro level (the ethics of health policy-making, which can be realized by applying the principles of equal access, reasonable quality, affordable care and shared responsibilities). To date, the first level remains dominant, but the need arises for our attention to refocus now from the micro level to the patterns of managing and delivering care, managing the health care resources, and conducting business practices. Discussion In attempting to increase the efficiency of health services in Lithuania, a common strategy has been in place for the last fifteen years. Decentralization and privatization have been implemented as part of its policy to achieve greater efficiency. Although decentralization in theory is supposed to improve efficiency, in practice the reform of decentralization has still to be completely implemented in Lithuania. Debates on health policy in Lithuania also include the issue of private versus public health care. Although the approach of private health care is changing in a positive way, it is obvious that reduced access to health services is the most vulnerable aspect. In the Lithuanian Health Program adopted in July 1998, the target of equity was stressed, stating that by 2010, differences in health and health care between various socio-economic groups should be reduced by 25%. Summary The restructuring of health care system in Lithuania should be

  14. 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.

  15. 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…

  16. 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.

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

    DOE PAGES

    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

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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 .

  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}.

  1. 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

  2. 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.

  3. Characterization of the transition state of protein unfolding by use of molecular dynamics: chymotrypsin inhibitor 2.

    PubMed Central

    Li, A; Daggett, V

    1994-01-01

    Temperature-induced unfolding of chymotrypsin inhibitor 2 in water was investigated by molecular dynamics simulations. The major transition state of unfolding was identified on the basis of structural and conformational changes in the protein during the unfolding reaction. The native tertiary contacts in the hydrophobic core were considerably disrupted in the transition state, whereas the secondary structure was partially intact. The extent of structural change of the protein around a particular residue was represented quantitatively by the ratio of the number of contacts the residue makes in the transition state relative to the native state, phi MD, which allows quantitative comparison with the experimentally determined phi F values. For the region of the unfolding trajectory that is identified as the transition state, the phi MD and phi F values are in good agreement, suggesting that the transition state identified in the unfolding simulation corresponds to that probed with protein engineering methods. Although speculative, the transition state identified in the simulation is consistent with available experimental data and provides an in-depth view of what the transition state of unfolding may look like. Images PMID:7937969

  4. 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.

  5. 45 CFR 150.221 - Transition to State enforcement.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... ACCESS CMS ENFORCEMENT IN GROUP AND INDIVIDUAL INSURANCE MARKETS CMS Enforcement Processes for... State enforcement. (a) If CMS determines that a State for which it has assumed enforcement authority has... appropriate to return enforcement authority to the State, CMS will enter into discussions with State...

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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).

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    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.

  9. 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.

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

    PubMed

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

    2015-12-01

    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.

  11. Background field functional renormalization group for absorbing state phase transitions.

    PubMed

    Buchhold, Michael; Diehl, Sebastian

    2016-07-01

    We present a functional renormalization group approach for the active to inactive phase transition in directed percolation-type systems, in which the transition is approached from the active, finite density phase. By expanding the effective potential for the density field around its minimum, we obtain a background field action functional, which serves as a starting point for the functional renormalization group approach. Due to the presence of the background field, the corresponding nonperturbative flow equations yield remarkably good estimates for the critical exponents of the directed percolation universality class, even in low dimensions. PMID:27575107

  12. Background field functional renormalization group for absorbing state phase transitions

    NASA Astrophysics Data System (ADS)

    Buchhold, Michael; Diehl, Sebastian

    2016-07-01

    We present a functional renormalization group approach for the active to inactive phase transition in directed percolation-type systems, in which the transition is approached from the active, finite density phase. By expanding the effective potential for the density field around its minimum, we obtain a background field action functional, which serves as a starting point for the functional renormalization group approach. Due to the presence of the background field, the corresponding nonperturbative flow equations yield remarkably good estimates for the critical exponents of the directed percolation universality class, even in low dimensions.

  13. 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

  14. Model of EF4-induced ribosomal state transitions and mRNA translocation

    NASA Astrophysics Data System (ADS)

    Xie, Ping

    2014-08-01

    EF4, a highly conserved protein present in bacteria, mitochondria and chloroplasts, can bind to both the posttranslocation and pretranslocation ribosomal complexes. When binding to the posttranslocation state, it catalyzes backward translocation to a pretranslocation state. When binding to the pretranslocation state, it catalyzes transition to another pretranslocation state that is similar and possibly identical to that resulting from the posttranslocation state bound by EF4, and competes with EF-G to regulate the elongation cycle. However, the molecular mechanism on how EF4 induces state transitions and mRNA translocation remains unclear. Here, we present both the model for state transitions induced by EF4 binding to the posttranslocation state and that by EF4 binding to the pretranslocation state, based on which we study the kinetics of EF4-induced state transitions and mRNA translocation, giving quantitative explanations of the available experimental data. Moreover, we present some predicted results on state transitions and mRNA translocation induced by EF4 binding to the pretranslocation state complexed with the mRNA containing a duplex region.

  15. 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.

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

    NASA Astrophysics Data System (ADS)

    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

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

    NASA Astrophysics Data System (ADS)

    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.

  18. Transitioning premature infants supine: state of the science.

    PubMed

    McMullen, Sherri L

    2013-01-01

    Safe infant sleep has been the focus of two decades of research. Improving supine sleep position in infants has coincided with a reduction in sudden infant death syndrome (SIDS). Premature infants spend time prone while hospitalized to promote appropriate growth and development; however, after hospitalization, infants should be positioned supine to reduce the risk of SIDS. Research has not been conducted on the optimal timing of transitioning the premature infant supine prior to hospital discharge. Infants transitioned too early are at risk for developmental delays, and infants not transitioned prior to discharge are at risk for being positioned in a nonsupine position, thereby increasing the risk of SIDS. Parents can observe appropriate role modeling of their infant while hospitalized and potentially improve the rate of supine sleep after discharge to reduce the risk of SIDS. This review explores the current literature on transitioning the premature infant to the supine position prior to hospital discharge to improve evidence-based practice and potentially further reducing the SIDS rate. PMID:23060326

  19. 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

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

    NASA Astrophysics Data System (ADS)

    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.

  1. High-spin states and coexisting states in the Pt-Au transition region

    SciTech Connect

    Riedinger, L.L.; Carpenter, M.P.; Courtney, L.H.; Janzen, V.P.; Schmitz, W.

    1986-01-01

    High-spin states in the N = 104 to 108 region have been studied by in-beam spectroscopy techniques in a number of Ir, Pt, and Au nuclei. These measurements have been performed at tandem Van de Graaff facilities at the Oak Ridge National Laboratory and at McMaster University. Through comparison of band crossings in a variety of odd-A and even-A nuclei, we are able to assign the first neutron and first proton alignment processes, which are nearly degenerate for /sup 184/Pt. These measurements yield the trend of these crossing frequencies with N and Z in this region. Knowledge of this trend is important, since these crossing frequencies can give an estimate of how the shape parameters vary across this transitional region. 22 refs., 7 figs., 1 tab.

  2. 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

  3. 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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

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

    PubMed

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

    2013-07-01

    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.

  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. 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.

  9. Predicting differences in gene regulatory systems by state space models.

    PubMed

    Yamaguchi, Rui; Imoto, Seiya; Yamauchi, Mai; Nagasaki, Masao; Yoshida, Ryo; Shimamura, Teppei; Hatanaka, Yosuke; Ueno, Kazuko; Higuchi, Tomoyuki; Gotoh, Noriko; Miyano, Satoru

    2008-01-01

    We propose a statistical strategy to predict differentially regulated genes of case and control samples from time-course gene expression data by leveraging unpredictability of the expression patterns from the underlying regulatory system inferred by a state space model. The proposed method can screen out genes that show different patterns but generated by the same regulations in both samples, since these patterns can be predicted by the same model. Our strategy consists of three steps. Firstly, a gene regulatory system is inferred from the control data by a state space model. Then the obtained model for the underlying regulatory system of the control sample is used to predict the case data. Finally, by assessing the significance of the difference between case and predicted-case time-course data of each gene, we are able to detect the unpredictable genes that are the candidate as the key differences between the regulatory systems of case and control cells. We illustrate the whole process of the strategy by an actual example, where human small airway epithelial cell gene regulatory systems were generated from novel time courses of gene expressions following treatment with(case)/without(control) the drug gefitinib, an inhibitor for the epidermal growth factor receptor tyrosine kinase. Finally, in gefitinib response data we succeeded in finding unpredictable genes that are candidates of the specific targets of gefitinib. We also discussed differences in regulatory systems for the unpredictable genes. The proposed method would be a promising tool for identifying biomarkers and drug target genes.

  10. Constrained proper sampling of conformations of transition state ensemble of protein folding.

    PubMed

    Lin, Ming; Zhang, Jian; Lu, Hsiao-Mei; Chen, Rong; Liang, Jie

    2011-02-21

    Characterizing the conformations of protein in the transition state ensemble (TSE) is important for studying protein folding. A promising approach pioneered by Vendruscolo et al. [Nature (London) 409, 641 (2001)] to study TSE is to generate conformations that satisfy all constraints imposed by the experimentally measured φ values that provide information about the native likeness of the transition states. Faísca et al. [J. Chem. Phys. 129, 095108 (2008)] generated conformations of TSE based on the criterion that, starting from a TS conformation, the probabilities of folding and unfolding are about equal through Markov Chain Monte Carlo (MCMC) simulations. In this study, we use the technique of constrained sequential Monte Carlo method [Lin et al., J. Chem. Phys. 129, 094101 (2008); Zhang et al. Proteins 66, 61 (2007)] to generate TSE conformations of acylphosphatase of 98 residues that satisfy the φ-value constraints, as well as the criterion that each conformation has a folding probability of 0.5 by Monte Carlo simulations. We adopt a two stage process and first generate 5000 contact maps satisfying the φ-value constraints. Each contact map is then used to generate 1000 properly weighted conformations. After clustering similar conformations, we obtain a set of properly weighted samples of 4185 candidate clusters. Representative conformation of each of these cluster is then selected and 50 runs of Markov chain Monte Carlo (MCMC) simulation are carried using a regrowth move set. We then select a subset of 1501 conformations that have equal probabilities to fold and to unfold as the set of TSE. These 1501 samples characterize well the distribution of transition state ensemble conformations of acylphosphatase. Compared with previous studies, our approach can access much wider conformational space and can objectively generate conformations that satisfy the φ-value constraints and the criterion of 0.5 folding probability without bias. In contrast to previous

  11. Probes of shape transitions from mass and charge radii of nuclear ground states

    NASA Astrophysics Data System (ADS)

    Sun, B. H.; Liu, C. Y.

    2016-09-01

    The masses and sizes of nuclear ground states constitute two of the most precise and extensive arrays of experimental information. These data make a model-independent view of microscopic nuclear structure possible. Relevant differential observables of nuclear mass and charge radius can be highly sensitive to nuclear shape transitions. In this contribution, we examine the correlation of these two bulk properties to nuclear shape transitions. By combining different observables, it is even possible to isolate shape transitions from nuclear shell closures.

  12. Space science public outreach at Louisiana State University

    NASA Astrophysics Data System (ADS)

    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.

  13. Charting the Shape of Quantum-State Space

    NASA Astrophysics Data System (ADS)

    Fuchs, Christopher A.

    2011-10-01

    Physicists have become accustomed to the idea that a theory's content is most transparent when written in coordinate-free language. But sometimes the choice of a good coordinate system can be quite useful for settling deep conceptual issues. This is particularly so for the Quantum Bayesian, or QBist, approach to quantum theory: One good coordinate system may be worth more than a hundred blue-in-the-face arguments over the meaning of quantum states. The philosophy here is that if quantum theory really is a theory about how to structure one's degrees of belief, rather than a theory of ontic quantum states, then the theory should become conceptually clearest when written in its native terms—i.e., in a purely probabilistic language, with no quantum states at all as intermediaries. This paper will chronicle the benefits of one particularly nice class of "coordinate systems" (i.e., operator bases) for enacting a map from quantum states on a finite dimensional Hilbert space to an appropriately chosen finite dimensional probability simplex. This is the so-called Symmetric Informationally Complete measurements or SICs.

  14. Reentrant transition from an incipient charge-ordered state to a ferromagnetic metallic state in a rare-earth manganate

    NASA Astrophysics Data System (ADS)

    Arulraj, Anthony; Biswas, Amlan; Raychaudhuri, A. K.; Rao, C. N. R.; Woodward, P. M.; Vogt, T.; Cox, D. E.; Cheetham, A. K.

    1998-04-01

    A reentrant transition from an incipient charge-ordered (CO) state to a charge-delocalized ferromagnetic (CDFM) state has been established in the manganate Nd0.25La0.25Ca0.5MnO3, in which the average A-site ionic radius is 1.19 Å. The reentrant CDFM phase is associated with a first-order phase transition that reduces the orthorhombic distortion of the lattice, in contrast to the CO transition in other manganates where the orthorhombically distorted CO state is stabilized at low temperatures. At the CO-CDFM transition, there is a collapse of the charge-ordering gap as measured by vacuum tunneling spectroscopy.

  15. Modeling enzymatic transition states by force field methods

    NASA Astrophysics Data System (ADS)

    Hansen, M. B.; Jensen, H. J. A.; Jensen, F.

    The SEAM method, which models a transition structure as a minimum on the seam of two diabatic surfaces represented by force field functions, has been used to generate 20 transition structures for the decarboxylation of orotidine by the orotidine-5prime-monophosphate decarboxylase enzyme. The dependence of the TS geometry on the flexibility of the system has been probed by fixing layers of atoms around the active site and using increasingly larger nonbonded cutoffs. The variability over the 20 structures is found to decrease as the system is made more flexible. Relative energies have been calculated by various electronic structure methods, where part of the enzyme is represented by a force field description and the effects of the solvent are represented by a continuum model. The relative energies vary by several hundreds of kJ/mol between the transition structures, and tests showed that a large part of this variation is due to changes in the enzyme structure at distances more than 5 Å from the active site. There are significant differences between the results obtained by pure quantum methods and those from mixed quantum and molecular mechanics methods.

  16. 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)

  17. 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.

  18. 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

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

    NASA Astrophysics Data System (ADS)

    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.

  20. 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...

  1. 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…

  2. 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…

  3. 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....

  4. 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....

  5. 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…

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

    NASA Astrophysics Data System (ADS)

    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

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

    NASA Astrophysics Data System (ADS)

    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.

  8. Review of State Policies and Programs to Support Young People Transitioning Out of Foster Care

    ERIC Educational Resources Information Center

    Dworsky, Amy; Havlicek, Judy

    2009-01-01

    This comprehensive review of policies and programs designed to support youth transitioning out of foster care spans all 50 states and the District of Columbia. As part of the review, Chapin Hall administered a web-based survey of state independent living services coordinators to collect up-to-date information about their state's policies and…

  9. 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.

  10. 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

  11. Thermoelectric signals of state transition in polycrystalline SmB6

    NASA Astrophysics Data System (ADS)

    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.

  12. Thermoelectric signals of state transition in polycrystalline SmB6

    NASA Astrophysics Data System (ADS)

    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.

  13. 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.

  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, 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,...

  16. 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,...

  17. 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,...

  18. 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,...

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

    PubMed

    Zhao, Han; Longhi, Stefano; Feng, Liang

    2015-11-23

    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.

  20. 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

  1. Transition-state searches in metal clusters by first-principle methods.

    PubMed

    Cruz-Olvera, Domingo; Vasquez, Alejandra de la Trinidad; Geudtner, Gerald; Vásquez-Pérez, José Manuel; Calaminici, Patrizia; Köster, Andreas M

    2015-03-01

    Elucidation of the chemical reactivity of metal clusters is often cumbersome due to the nonintuitive structures of the corresponding transition states. In this work, a hierarchical transition-state algorithm as implemented in the deMon2k code has been applied to locate transition states of small sodium clusters with 6-10 atoms. This algorithm combines the so-called double-ended interpolation method with the uphill trust region method. The minimum structures needed as input were obtained from Born-Oppenheimer molecular dynamics simulations. To connect the found transition states with the corresponding minimum structures, the intrinsic reaction coordinates were calculated. This work demonstrates how nonintuitive rearrangement mechanisms can be studied in metal clusters. PMID:25072358

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  4. Transition state structure of E. coli tRNA-specific adenosine deaminase.

    PubMed

    Luo, Minkui; Schramm, Vern L

    2008-02-27

    Bacterial tRNA-specific adenosine deaminase (TadA) catalyzes the essential deamination of adenosine to inosine at the wobble position of tRNAs and is necessary to permit a single tRNA species to recognize multiple codons. The transition state structure of Escherichia coli TadA was characterized by kinetic isotope effects (KIEs) and quantum chemical calculations. A stem loop of E. coli tRNA(Arg2) was used as a minimized TadA substrate, and its adenylate editing site was isotopically labeled as [1'-(3)H], [5'-(3)H2], [1'-(14)C], [6-(13)C], [6-(15)N], [6-(13)C, 6-(15)N] and [1-(15)N]. The intrinsic KIEs of 1.014, 1.022, 0.994, 1.014 and 0.963 were obtained for [6-(13)C]-, [6-(15)N]-, [1-(15)N]-, [1'-(3)H]-, [5'-(3)H2]-labeled substrates, respectively. The suite of KIEs are consistent with a late SNAr transition state with a complete, pro-S-face hydroxyl attack and nearly complete N1 protonation. A significant N6-C6 dissociation at the transition state of TadA is indicated by the large [6-(15)N] KIE of 1.022 and corresponds to an N6-C6 distance of 2.0 A in the transition state structure. Another remarkable feature of the E. coli TadA transition state structure is the Glu70-mediated, partial proton transfer from the hydroxyl nucleophile to the N6 leaving group. KIEs correspond to H-O and H-N distances of 2.02 and 1.60 A, respectively. The large inverse [5'-(3)H] KIE of -3.7% and modest normal [1'-(3)H] KIE of 1.4% indicate that significant ribosyl 5'-reconfiguration and purine rotation occur on the path to the transition state. The late SNAr transition-state established here for E. coli TadA is similar to the late transition state reported for cytidine deaminase. It differs from the early SNAr transition states described recently for the adenosine deaminases from human, bovine, and Plasmodium falciparum sources. The ecTadA transition state structure reveals the detailed architecture for enzymatic catalysis. This approach should be readily transferable for transition

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

    NASA Astrophysics Data System (ADS)

    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).

  6. Transition Rates of Decays from Collective States in 150Nd

    NASA Astrophysics Data System (ADS)

    Chakraborty, A.; Prados-Estévez, F. M.; Choudry, S. N.; Crider, B. P.; Kumar, A.; McEllistrem, M. T.; Mukhopadhyay, S.; Mynk, M. G.; Peters, E. E.; Wood, J. L.; Yates, S. W.; Garrett, P. E.; Kulp, W. D.; Orce, J. N.

    2013-03-01

    The low-lying level structure of the "so-called" transitional nucleus 150Nd has been explored using the (n, n' γ) reaction. A significant extension of the level scheme was made within the energy and spin regime of 2 MeV and 6ħ, respectively. Level lifetimes were extracted through a Doppler-shift attenuation analysis, and the level decay properties have been investigated. The observed low-lying level structure of 150Nd indicates a close resemblance to its neighboring isotone, 152Sm.

  7. L-Enantiomers of Transition State Analogue Inhibitors Bound to Human Purine Nucleoside Phosphorylase

    SciTech Connect

    Rinaldo-Matthis,A.; Murkin, A.; Ramagopal, U.; Clinch, K.; Mee, S.; Evans, G.; Tyler, P.; Furneaux, R.; Almo, S.; Schramm, v.

    2008-01-01

    Human purine nucleoside phosphorylase (PNP) was crystallized with transition-state analogue inhibitors Immucillin-H and DADMe-Immucillin-H synthesized with ribosyl mimics of l-stereochemistry. The inhibitors demonstrate that major driving forces for tight binding of these analogues are the leaving group interaction and the cationic mimicry of the transition state, even though large geometric changes occur with d-Immucillins and l-Immucillins bound to human PNP.

  8. 19 CFR 123.64 - Baggage in transit through the United States between ports in Canada or in Mexico.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 19 Customs Duties 1 2014-04-01 2014-04-01 false Baggage in transit through the United States... Baggage § 123.64 Baggage in transit through the United States between ports in Canada or in Mexico. (a) Procedure. Baggage in transit from point to point in Canada or Mexico through the United States may...

  9. 19 CFR 123.64 - Baggage in transit through the United States between ports in Canada or in Mexico.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 19 Customs Duties 1 2012-04-01 2012-04-01 false Baggage in transit through the United States... Baggage § 123.64 Baggage in transit through the United States between ports in Canada or in Mexico. (a) Procedure. Baggage in transit from point to point in Canada or Mexico through the United States may...

  10. 19 CFR 123.64 - Baggage in transit through the United States between ports in Canada or in Mexico.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 19 Customs Duties 1 2013-04-01 2013-04-01 false Baggage in transit through the United States... Baggage § 123.64 Baggage in transit through the United States between ports in Canada or in Mexico. (a) Procedure. Baggage in transit from point to point in Canada or Mexico through the United States may...

  11. MOST Space-based Photometry of the Transiting Exoplanet System HD 189733: Precise Timing Measurements for Transits across an Active Star

    NASA Astrophysics Data System (ADS)

    Miller-Ricci, Eliza; Rowe, Jason F.; Sasselov, Dimitar; Matthews, Jaymie M.; Kuschnig, Rainer; Croll, Bryce; Guenther, David B.; Moffat, Anthony F. J.; Rucinski, Slavek M.; Walker, Gordon A. H.; Weiss, Werner W.

    2008-07-01

    We have measured transit times for HD 189733b passing in front of its bright (V = 7.67), chromospherically active, and spotted parent star. Nearly continuous broadband optical photometry of this system was obtained with the Microvariability and Oscillations of Stars (MOST) space telescope during 21 days in 2006 August, monitoring 10 consecutive transits. We have used these data to search for deviations from a constant orbital period which can indicate the presence of additional planets in the system that are as yet undetected by Doppler searches. There are no transit timing variations above the level of ±45 s, ruling out super-Earths (of masses 1-4 M⊕) in the 1:2 and 2:3 inner resonances, and planets of 20 M⊕ in the 2:1 outer resonance of the known planet. We also discuss complications in measuring transit times for a planet that transits an active star with large starspots, and how the transits can help constrain and test spot models. This has implications for the large number of such systems expected to be discovered by the COROT and Kepler missions. Based on data from the MOST satellite, a Canadian Space Agency mission, jointly operated by Dynacon Inc., the University of Toronto Institute for Aerospace Studies, and the University of British Columbia, with the assistance of the University of Vienna.

  12. Characterizing the Atmospheres of Transiting Planets with a Dedicated Space Telescope

    NASA Astrophysics Data System (ADS)

    Tessenyi, M.; Ollivier, M.; Tinetti, G.; Beaulieu, J. P.; Coudé du Foresto, V.; Encrenaz, T.; Micela, G.; Swinyard, B.; Ribas, I.; Aylward, A.; Tennyson, J.; Swain, M. R.; Sozzetti, A.; Vasisht, G.; Deroo, P.

    2012-02-01

    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

  13. 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

  14. Pressure induced phase transitions and equation of state of adamantane

    NASA Astrophysics Data System (ADS)

    Vijayakumar, V.; Garg, Alka B.; Godwal, B. K.; Sikka, S. K.

    2001-03-01

    Results of angle dispersive x-ray powder diffraction measurements under pressure up to 25 GPa on adamantane carried out at the synchrotron source SPRING-8 are reported. The disorder-order transition at 0.5 GPa in adamantane known earlier is reproduced with detailed structural information. For this ordered tetragonal (Pφ) of the two molecules within the cell about the c-axis increases from 8.5° to 10.5°. This is consistent with values determined from energy minimization in this pressure region. The anomaly in the pressure variation of c/a, and the failure of the constrained Rietveld refinement, occurring close to 9 GPa, are interpreted as due to distortion of the adamantane molecule when H...H distance decreases below the critical value of 1.9 Å. Above 16 GPa there is a subtle change in the diffraction pattern that indicates a transition to a closely related phase. Beyond 22 GPa, a monoclinic phase with one molecule per cell could only index the patterns. The ambient cubic phase is recovered on unloading indicating the absence of decomposition or polymerization. The results of high pressure x-ray diffraction experiments confirm the changes in the Raman spectra observed in the earlier measurements.

  15. 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.

  16. Ratcheted molecular-dynamics simulations identify efficiently the transition state of protein folding

    NASA Astrophysics Data System (ADS)

    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).

  17. 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.

  18. 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

  19. 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.

  20. 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.

  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.

    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.

  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.

    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.

  3. Spatiotemporal variability of the precipitation dipole transition zone in the western United States

    NASA Astrophysics Data System (ADS)

    Wise, Erika K.

    2010-04-01

    El Niño-Southern Oscillation-related hydroclimatic variability in the western United States is characterized by a north-south dipole pattern of precipitation anomalies with opposing signs. Here I use a high-resolution dataset to analyze spatiotemporal patterns in the transition zone between the centers of opposite association. Results indicate that the transition zone is spatially limited west of the continental divide, consisting of a narrow zone within the 40-42°N latitude band and portions of eastern Washington, eastern Oregon, and western Colorado. The transition zone was narrower when the Southern Oscillation Index and the Pacific Decadal Oscillation (PDO) were in a constructive phase and during the negative Atlantic Multidecadal Oscillation phase. Although the transition zone has remained remarkably stationary across the Great Basin, shifts (likely PDO-related) have occurred over time in the West Coast states. Implications for water resource planning in river basins underlying the transition zone vary by region.

  4. 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

  5. Transitional steady states of exchange dynamics between finite quantum systems

    NASA Astrophysics Data System (ADS)

    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.

  6. 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.

  7. Exact transition probabilities in a 6-state Landau–Zener system with path interference

    DOE PAGES

    Sinitsyn, Nikolai A.

    2015-04-23

    In this paper, 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. Finally, we discuss reasons for integrability of this system and provide numerical tests of the suggested expression for the transition probability matrix.

  8. In situ wetting state transition on micro- and nanostructured surfaces at high temperature.

    PubMed

    Wang, Jingming; Liu, Meng; Ma, Rui; Wang, Qianbin; Jiang, Lei

    2014-09-10

    We studied the in situ transition of the droplets' wetting state on the heated solid surfaces. The wetting behaviors of four micro- and nanostructured surfaces with different chemical components were studied. These parameters included the maximum contact areas (MCA), the maximum evaporation areas (MEA) and the wetting transition temperature (T(trans)). The reduction in MEAs has a specific transition process from wetting (Wenzel state) or partial wetting (Wenzel-Cassie intermediate state) to nonwetting (Cassie State) as the surface temperature rises. When the MEAs drop to zero at a critical temperature (T(trans)), the droplets rebound from the heated surfaces to complete the wetting transition process. The chemical compounds and the surfaces' rough structure play an important role in the droplets' wetting transition behavior. Before FAS-modification, microstructures can increase the MCAs, MEAs, and T(trans). However, the microstructures are less effective at increasing the MEAs and T(trans) than changes to nanostructures. After FAS-modification, both the nano- and microstructures reduce the T(trans). On the FAS-MNSi surfaces, the MEAs are always zero--the droplets rebounded at room temperature, and the wetting transition did occur. We propose two high-temperature mechanisms to explain these transition phenomena.

  9. 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.

  10. Topological and unconventional magnetic states in transition metal oxides

    NASA Astrophysics Data System (ADS)

    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.

  11. Transitional discharge based on therapeutic relationships: state of the art.

    PubMed

    Forchuk, Cheryl; Reynolds, William; Sharkey, Siobhan; Martin, Mary-Lou; Jensen, Elsabeth

    2007-04-01

    The Transitional Discharge Model (TDM) has been used to facilitate effective discharge from psychiatric hospital to community. A summary of the research to date on TDM is given. The model is based on the provision of therapeutic relationships to provide a safety net throughout the discharge and community reintegration processes. These relationships include both staff and peer involvement; hospital inpatient staff continue to remain involved with the client until a therapeutic relationship is established with a community care provider, and peer support is offered from a former consumer of mental health services who is currently living in the community. Studies found that the TDM facilitates increased discharge rates, lower readmission rates, and cost savings--making it a collaborative, cost-effective method of providing quality patient care and positive health care outcomes. The TDM Plan of Research is presented and reflects the collaboration between stakeholders and the integration of consumer advocacy, clinical practice, education, policy, and research in various countries.

  12. 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.

  13. Radiative transitions to an eta/sub c/(2980) candidate state and the observation of hadronic decays of this state

    SciTech Connect

    Bloom, E.D.

    1980-06-01

    Preliminary results from the Crystal Ball and Mark II experiments at SPEAR are presented on radiative transitions from psi'(3684) and J/psi(3095) to an eta/sub c/(2980) candidate state. In addition to the inclusive photon signals reported previously by the Crystal Ball, both detectors now see exclusive hadronic final state signals at masses consistent with the states inclusively determined mass of 2981 +- 16 MeV.

  14. Employment outcomes of transition-aged adults with autism spectrum disorders: a state of the States report.

    PubMed

    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 served by VR for the same time period. Although there was variability both within and among states, the results of this study indicate that, over time, the number of young adults with ASD seeking VR services has increased; however, employment outcomes including the percent of adults with ASD achieving employment, the number of hours worked, and wages earned have not improved for this group. The cost to provide VR services to transition-aged adults with ASD was relatively stable over time. Transition-aged adults with ASD were more likely to become successfully employed as a result of receiving VR services than the overall population of transition-aged adults served by VR. However, the employed transition-aged adults consistently worked fewer hours and earned lower wages than those in the overall population. Factors that may influence variability within and among states, and between groups, and implications for research and practice are discussed.

  15. 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

  16. 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

  17. 2D dynamical arrest transition in a mixed nanoparticle-phospholipid layer studied in real and momentum spaces

    NASA Astrophysics Data System (ADS)

    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.

  18. 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.

  19. Probing the electron states and metal-insulator transition mechanisms in molybdenum disulphide vertical heterostructures.

    PubMed

    Chen, Xiaolong; Wu, Zefei; Xu, Shuigang; Wang, Lin; Huang, Rui; Han, Yu; Ye, Weiguang; Xiong, Wei; Han, Tianyi; Long, Gen; Wang, Yang; He, Yuheng; Cai, Yuan; Sheng, Ping; Wang, Ning

    2015-01-01

    The metal-insulator transition is one of the remarkable electrical properties of atomically thin molybdenum disulphide. Although the theory of electron-electron interactions has been used in modelling the metal-insulator transition in molybdenum disulphide, the underlying mechanism and detailed transition process still remain largely unexplored. Here we demonstrate that the vertical metal-insulator-semiconductor heterostructures built from atomically thin molybdenum disulphide are ideal capacitor structures for probing the electron states. The vertical configuration offers the added advantage of eliminating the influence of large impedance at the band tails and allows the observation of fully excited electron states near the surface of molybdenum disulphide over a wide excitation frequency and temperature range. By combining capacitance and transport measurements, we have observed a percolation-type metal-insulator transition, driven by density inhomogeneities of electron states, in monolayer and multilayer molybdenum disulphide. In addition, the valence band of thin molybdenum disulphide layers and their intrinsic properties are accessed.

  20. Anyon condensation and continuous topological phase transitions in non-Abelian fractional quantum Hall states.

    PubMed

    Barkeshli, Maissam; Wen, Xiao-Gang

    2010-11-19

    We find a series of possible continuous quantum phase transitions between fractional quantum Hall states at the same filling fraction in two-component quantum Hall systems. These can be driven by tuning the interlayer tunneling and/or interlayer repulsion. One side of the transition is the Halperin (p,p,p-3) Abelian two-component state, while the other side is the non-Abelian Z4 parafermion (Read-Rezayi) state. We predict that the transition is a continuous transition in the 3D Ising class. The critical point is described by a Z2 gauged Ginzburg-Landau theory. These results have implications for experiments on two-component systems at ν=2/3 and single-component systems at ν=8/3. PMID:21231341

  1. Anyon Condensation and Continuous Topological Phase Transitions in Non-Abelian Fractional Quantum Hall States

    NASA Astrophysics Data System (ADS)

    Barkeshli, Maissam; Wen, Xiao-Gang

    2010-11-01

    We find a series of possible continuous quantum phase transitions between fractional quantum Hall states at the same filling fraction in two-component quantum Hall systems. These can be driven by tuning the interlayer tunneling and/or interlayer repulsion. One side of the transition is the Halperin (p,p,p-3) Abelian two-component state, while the other side is the non-Abelian Z4 parafermion (Read-Rezayi) state. We predict that the transition is a continuous transition in the 3D Ising class. The critical point is described by a Z2 gauged Ginzburg-Landau theory. These results have implications for experiments on two-component systems at ν=2/3 and single-component systems at ν=8/3.

  2. Exact cover of states in the discrete state-space system

    NASA Astrophysics Data System (ADS)

    Wiśniewski, Remigiusz; Stefanowicz, Łukasz; Wiśniewska, Monika; Kur, Daniel

    2015-12-01

    Given the discrete state-space system, the set cover problem is defined as selection of the minimal number of global states to cover all the local states. Commonly known methods base on the matrix reduction, boolean function transformation or heuristics ideas. Most of them are inefficient because of computational/memory complexity or non-optimal results. We propose an application of xt-hypergraphs to compute the solution in case where the discrete system can be represented by an xt-hypergraph. Recognition, as well as computation of exact cover in case of xt-hypergraphs is bounded by a polynomial in the number of local states. Therefore, the whole cover process problem turns out to be polynomial.

  3. Transit Observations of Venus's Atmosphere in 2012 from Terrestrial and Space Telescopes as Exoplanet Analogs

    NASA Astrophysics Data System (ADS)

    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

  4. 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.

  5. 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.

  6. 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

  7. 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…

  8. Building and Maintaining Connection: Supporting Transition in a Rural State

    ERIC Educational Resources Information Center

    Flannery, Ann; Mason, Paula; Dunagan, Janna

    2016-01-01

    Deaf and hard of hearing students at Rocky Mountain High School (RMHS), a public school in Meridian, Idaho--and other deaf and hard of hearing students throughout the state, needed skills for the workplace. The demand was critical, and administrators knew change was needed. Co-authors Janna Dunagan, who teaches deaf and hard of hearing students,…

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

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... attorney for those State, local, or interstate air pollution control agencies that have independent legal.... (iii) Issue permits for a fixed term of 5 years in the case of permits with acid rain provisions and... is not used to modify the acid rain program requirements. (4) Relevant permitting...

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

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... attorney for those State, local, or interstate air pollution control agencies that have independent legal.... (iii) Issue permits for a fixed term of 5 years in the case of permits with acid rain provisions and... is not used to modify the acid rain program requirements. (4) Relevant permitting...

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

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... attorney for those State, local, or interstate air pollution control agencies that have independent legal.... (iii) Issue permits for a fixed term of 5 years in the case of permits with acid rain provisions and... is not used to modify the acid rain program requirements. (4) Relevant permitting...

  12. 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.

  13. 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.

  14. 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.

  15. Ratio of forbidden transition rates in the ground-state configuration of O ii

    NASA Astrophysics Data System (ADS)

    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.

  16. 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. PMID:27547831

  17. STATE TRANSITIONS IN LOW-MASS X-RAY BINARIES

    SciTech Connect

    Bradley, Charles K.; Frank, Juhan

    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.

  18. United States Changing Demographics - English/Spanish Space Education

    NASA Astrophysics Data System (ADS)

    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.

  19. 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.

  20. 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

  1. 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…

  2. 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...

  3. 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...

  4. Early stage spin-state transition in LaCoO3 investigated by first principles

    NASA Astrophysics Data System (ADS)

    Leighton, C.; Hsu, H.; Cococcioni, M.; Wentzcovitch, R. M.

    2009-12-01

    Thermal-induced spin-state transition in LaCoO3 has been a highly debated phenomenon. The point in controversy is whether the intermediate-spin (IS) state can stably exist, and whether the intermediate-spin or high-spin (HS) state is the first excited state. In our calculation, we have successfully stabilized isolated HS and IS Co in an array of low-spin (LS) Co in LaCoO3 using the local density approximation + Hubbard U (LDA+U) method. The HS/LS (or IS/LS) Co population ratio is set to 1:7, so that the early stage of spin-state transition is properly approximated. The Hubbard U is self-consistently determined by first principles, so that the equation of state and the energy of Co in each spin state can be determined with better accuracy. We show that at low temperature, isolated IS Co has higher energy than isolated HS Co. We also show that low concentration of isolated IS Co can lead to metallic LaCoO3. Therefore, the early stage spin-state transition in LaCoO3 is LS-to-HS transition. This work was supported primarily by the MRSEC Program of the National Science Foundation under Award Number DMR-0212302 and DMR-0819885. It was also partially supported by NSF grants ITR-0426757 (VLab) and EAR 0757903. Calculations were performed at Minnesota Supercomputing Institute (MSI).

  5. P-20 Education Policy: School to College Transition Policy in Washington State

    ERIC Educational Resources Information Center

    Pitre, Paul E.

    2011-01-01

    This study examines Washington State's attempt to move toward an integrated, P-20 system of education that enhances student transitions from high school to college. In analyzing Washington as a single case study, a profile of the state is developed on key access related characteristics. Data for this study were gathered utilizing fundamental case…

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. Decoding brain state transitions in the pedunculopontine nucleus: cooperative phasic and tonic mechanisms.

    PubMed

    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.

  11. 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

  12. Observation of electric quadrupole transitions to Rydberg nd states of ultracold rubidium atoms

    SciTech Connect

    Tong, D.; Farooqi, S. M.; Kempen, E. G. M. van; Pavlovic, Z.; Stanojevic, J.; Cote, R.; Eyler, E. E.; Gould, P. L.

    2009-05-15

    We report the observation of dipole-forbidden, but quadrupole-allowed, one-photon transitions to high-Rydberg states in Rb. Using pulsed uv excitation of ultracold atoms in a magneto-optical trap, we excite 5s{yields}nd transitions over a range of principal quantum numbers n=27-59. Compared to dipole-allowed (E1) transitions from 5s{yields}np, these E2 transitions are weaker by a factor of approximately 2000. We also report measurements of the anomalous np{sub 3/2}:np{sub 1/2} fine-structure transition strength ratio for n=28-75. Both results are in agreement with theoretical predictions.

  13. 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

  14. Chloroplast remodeling during state transitions in Chlamydomonas reinhardtii as revealed by noninvasive techniques in vivo.

    PubMed

    Nagy, Gergely; Ünnep, Renáta; Zsiros, Ottó; Tokutsu, Ryutaro; Takizawa, Kenji; Porcar, Lionel; Moyet, Lucas; Petroutsos, Dimitris; Garab, Győző; Finazzi, Giovanni; Minagawa, Jun

    2014-04-01

    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

  15. Laboratory rotational ground state transitions of NH3D+ and CF+

    NASA Astrophysics Data System (ADS)

    Stoffels, A.; Kluge, L.; Schlemmer, S.; Brünken, S.

    2016-09-01

    Aims: This paper reports accurate laboratory frequencies of the rotational ground state transitions of two astronomically relevant molecular ions, NH3D+ and CF+. Methods: Spectra in the millimetre-wave band were recorded by the method of rotational state-selective attachment of He atoms to the molecular ions stored and cooled in a cryogenic ion trap held at 4 K. The lowest rotational transition in the A state (ortho state) of NH3D+ (JK = 10-00), and the two hyperfine components of the ground state transition of CF+ (J = 1-0) were measured with a relative precision better than 10-7. Results: For both target ions, the experimental transition frequencies agree with recent observations of the same lines in different astronomical environments. In the case of NH3D+ the high-accuracy laboratory measurements lend support to its tentative identification in the interstellar medium. For CF+ the experimentally determined hyperfine splitting confirms previous quantum-chemical calculations and the intrinsic spectroscopic nature of a double-peaked line profile observed in the J = 1-0 transition towards the Horsehead photon-dominated region (PDR).

  16. 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.

  17. Estimation of HIV infection and incubation via state space models.

    PubMed

    Tan, W Y; Ye, Z

    2000-09-01

    By using the state space model (Kalman filter model) of the HIV epidemic, in this paper we have developed a general Bayesian procedure to estimate simultaneously the HIV infection distribution, the HIV incubation distribution, the numbers of susceptible people, infective people and AIDS cases. The basic approach is to use the Gibbs sampling method combined with the weighted bootstrap method. We have applied this method to the San Francisco AIDS incidence data from January 1981 to December 1992. The results show clearly that both the probability density function of the HIV infection and the probability density function of the HIV incubation are curves with two peaks. The results of the HIV infection distribution are clearly consistent with the finding by Tan et al. [W.Y. Tan, S.C. Tang, S.R. Lee, Estimation of HIV seroconversion and effects of age in San Francisco homosexual populations, J. Appl. Stat. 25 (1998) 85]. The results of HIV incubation distribution seem to confirm the staged model used by Satten and Longini [G. Satten, I. Longini, Markov chain with measurement error: estimating the 'true' course of marker of the progression of human immunodeficiency virus disease, Appl. Stat. 45 (1996) 275]. PMID:10942785

  18. Holography and quantum states in elliptic de Sitter space

    NASA Astrophysics Data System (ADS)

    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.

  19. Hierarchical state-space estimation of leatherback turtle navigation ability.

    PubMed

    Mills Flemming, Joanna; Jonsen, Ian D; Myers, Ransom A; Field, Christopher A

    2010-01-01

    Remotely sensed tracking technology has revealed remarkable migration patterns that were previously unknown; however, models to optimally use such data have developed more slowly. Here, we present a hierarchical Bayes state-space framework that allows us to combine tracking data from a collection of animals and make inferences at both individual and broader levels. We formulate models that allow the navigation ability of animals to be estimated and demonstrate how information can be combined over many animals to allow improved estimation. We also show how formal hypothesis testing regarding navigation ability can easily be accomplished in this framework. Using Argos satellite tracking data from 14 leatherback turtles, 7 males and 7 females, during their southward migration from Nova Scotia, Canada, we find that the circle of confusion (the radius around an animal's location within which it is unable to determine its location precisely) is approximately 96 km. This estimate suggests that the turtles' navigation does not need to be highly accurate, especially if they are able to use more reliable cues as they near their destination. Moreover, for the 14 turtles examined, there is little evidence to suggest that male and female navigation abilities differ. Because of the minimal assumptions made about the movement process, our approach can be used to estimate and compare navigation ability for many migratory species that are able to carry electronic tracking devices. PMID:21203382

  20. A Knowledge Discovery from POS Data using State Space Models

    NASA Astrophysics Data System (ADS)

    Sato, Tadahiko; Higuchi, Tomoyuki

    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.

  1. Geometry of state space in plane Couette flow

    NASA Astrophysics Data System (ADS)

    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.

  2. Hierarchical state-space estimation of leatherback turtle navigation ability.

    PubMed

    Mills Flemming, Joanna; Jonsen, Ian D; Myers, Ransom A; Field, Christopher A

    2010-12-28

    Remotely sensed tracking technology has revealed remarkable migration patterns that were previously unknown; however, models to optimally use such data have developed more slowly. Here, we present a hierarchical Bayes state-space framework that allows us to combine tracking data from a collection of animals and make inferences at both individual and broader levels. We formulate models that allow the navigation ability of animals to be estimated and demonstrate how information can be combined over many animals to allow improved estimation. We also show how formal hypothesis testing regarding navigation ability can easily be accomplished in this framework. Using Argos satellite tracking data from 14 leatherback turtles, 7 males and 7 females, during their southward migration from Nova Scotia, Canada, we find that the circle of confusion (the radius around an animal's location within which it is unable to determine its location precisely) is approximately 96 km. This estimate suggests that the turtles' navigation does not need to be highly accurate, especially if they are able to use more reliable cues as they near their destination. Moreover, for the 14 turtles examined, there is little evidence to suggest that male and female navigation abilities differ. Because of the minimal assumptions made about the movement process, our approach can be used to estimate and compare navigation ability for many migratory species that are able to carry electronic tracking devices.

  3. Structural transition, subgap states, and carrier transport in anion-engineered zinc oxynitride nanocrystalline films

    NASA Astrophysics Data System (ADS)

    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.

  4. 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.

  5. Magnetic transitions and Fe(II) spin state in mackinawite

    NASA Astrophysics Data System (ADS)

    Schroeder, C.; Wan, M.; Peiffer, S.

    2012-12-01

    (S=1) state, but not high spin (S=2). Paramagnetic substances which become magnetically ordered below a certain temperature must have unpaired electrons (S≠0). Fe(II) in mackinawite is tetrahedrally coordinated to S, and frontier molecular orbital theory modeling suggests Fe to be either in intermediate spin (S=1) or high spin (S=2) state [7]. Combined with Mössbauer isomer shifts, Fe(II) in mackinawite must therefore be in the intermediate spin (S=1) state. The absence of magnetic ordering in the freshly precipitated and filtered mackinawite sample can be explained by either extremely small particle size resulting in superparamagnetic behavior, or Fe(II) is in a low spin (S=0) state and therefore diamagnetic. In the latter case this phase cannot be mackinawite but may be cubic FeSc, the Fe equivalent of sphalerite (cubic ZnS). References: [1] Wan et al., Mineral. Mag. 75(3) (2011) 2112. [2] Wan et al., Geophysical Research Abstracts 14, EGU2012-4724-3. [3] Hellige et al., Geochim. Cosmochim. Ac. 81 (2012) 69-81. [4] Morice et al., J. inorg. nucl. Chem. 31 (1969) 3797-3802. [5] Vaughan and Ridout, J. inorg. nucl. Chem. 33 (1971) 741-746. [6] Mullet et al., Geochim. Cosmochim. Ac. 66 (2002) 829-836. [7] Luther III, personal communication.

  6. 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.

  7. 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

    NASA Astrophysics Data System (ADS)

    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.

  8. 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

  9. 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…

  10. 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

  11. Multireference general-model-space state-universal and state-specific coupled-cluster approaches to excited states

    NASA Astrophysics Data System (ADS)

    Li, Xiangzhu; Paldus, Josef

    2010-11-01

    The concept of C-conditions, originally introduced in the framework of the multireference (MR), general-model-space (GMS), state-universal (SU), coupled-cluster (CC) approach with singles and doubles (GMS-SU-CCSD) to account for the internal amplitudes that vanish in the case of a complete model space, is applied to a state-selective or state-specific Mukherjee MR-CC method (MkCCSD). In contrast to the existing applications, the emphasis is on the description of excited states, particularly those belonging to the same symmetry species. The applicability of the C-conditions in all MR-SU-CC approaches is emphasized. Convergence problems encountered in the MkCCSD method when handling higher-lying states are pointed out. The performance of the GMS-SU-CCSD and MkCCSD methods is illustrated by considering low-lying vertical excitation energies of the ethylene molecule and para-benzyne diradical. A comparison with the equation-of-motion CCSD results, as well as with the available experimental data and recent multireference configuration interaction theoretical results, is also provided.

  12. 45 CFR 205.170 - State standards for office space, equipment, and facilities.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 2 2014-10-01 2012-10-01 true State standards for office space, equipment, and... SERVICES GENERAL ADMINISTRATION-PUBLIC ASSISTANCE PROGRAMS § 205.170 State standards for office space...-A, X, XIV, or XVI(AABD) of the Social Security Act must provide that: (a) The State agency...

  13. 45 CFR 205.170 - State standards for office space, equipment, and facilities.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 2 2011-10-01 2011-10-01 false State standards for office space, equipment, and... SERVICES GENERAL ADMINISTRATION-PUBLIC ASSISTANCE PROGRAMS § 205.170 State standards for office space...-A, X, XIV, or XVI(AABD) of the Social Security Act must provide that: (a) The State agency...

  14. Spontaneous transitions in the synchronisation states of a Chlamydomonas mutant

    NASA Astrophysics Data System (ADS)

    Wan, Kirsty; Leptos, Kyriacos; Polin, Marco; Tuval, Idan; Goldstein, Raymond

    2011-03-01

    The mechanisms by which eukaryotic flagella are found to synchronise is poorly understood; the origins being dependent upon the hydrodynamics, as well as the underlying molecular biochemistry. Exemplifying how available phenotypic variations in a species may be exploited to extend our mathematical models for flagellar coupling, we turn to ptx1 - a non-phototactic mutant strain of the biflagellated alga Chlamydomonas with seemingly intact flagellar apparatus, which does not exhibit any gross motility defects. Intriguingly however, our high-speed imaging analysis of flagellar dynamics in ptx1 have revealed that rather unlike their wildtype predecessors, which beat mostly in synchrony interrupted by brief periods of drifts or slip, the two flagella of ptx1 are observed to consistently revert from synchrony to a state of stable, coupled, anti-phase beating dynamics. Incorporating the interpretation of the flagella pair as coupled noisy oscillators, we show how such behaviour corroborates readily with a secondary contribution to the coupling, which is further conjectured to be inherent in the wildtype.

  15. Inhibition of Norovirus 3CL Protease by Bisulfite Adducts of Transition State Inhibitors

    PubMed Central

    Mandadapu, Sivakoteswara Rao; Gunnam, Mallikarjuna Reddy; Tiew, Kok-Chuan; Uy, Roxanne Adeline Z.; Prior, Allan M.; Alliston, Kevin R.; Hua, Duy H.; Kim, Yunjeong; Chang, Kyeong-Ok; Groutas, William C.

    2013-01-01

    Noroviruses are the most common cause of acute viral gastroenteritis, accounting for >21 million cases annually in the U.S. alone. Norovirus infections constitute an important health problem for which there are no specific antiviral therapeutics or vaccines. In this study, a series of bisulfite adducts derived from representative transition state inhibitors (dipeptidyl aldehydes and α-ketoamides) was synthesized and shown to exhibit anti-norovirus activity in a cell-based replicon system. The ED50 of the most effective inhibitor was 60 nM. This study demonstrates for the first time the utilization of bisulfite adducts of transition state inhibitors in the inhibition of norovirus 3C-like protease in vitro and in a cell-based replicon system. The approach described herein can be extended to the synthesis of the bisulfite adducts of other classes of transition state inhibitors of serine and cysteine proteases, such as α-ketoheterocycles and α-ketoesters. PMID:23218713

  16. 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.

  17. Using dark states for exciton storage in transition-metal dichalcogenides

    NASA Astrophysics Data System (ADS)

    Tseng, Frank; Simsek, Ergun; Gunlycke, Daniel

    2016-01-01

    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.

  18. Inhibition of norovirus 3CL protease by bisulfite adducts of transition state inhibitors.

    PubMed

    Mandadapu, Sivakoteswara Rao; Gunnam, Mallikarjuna Reddy; Tiew, Kok-Chuan; Uy, Roxanne Adeline Z; Prior, Allan M; Alliston, Kevin R; Hua, Duy H; Kim, Yunjeong; Chang, Kyeong-Ok; Groutas, William C

    2013-01-01

    Noroviruses are the most common cause of acute viral gastroenteritis, accounting for >21 million cases annually in the US alone. Norovirus infections constitute an important health problem for which there are no specific antiviral therapeutics or vaccines. In this study, a series of bisulfite adducts derived from representative transition state inhibitors (dipeptidyl aldehydes and α-ketoamides) was synthesized and shown to exhibit anti-norovirus activity in a cell-based replicon system. The ED(50) of the most effective inhibitor was 60 nM. This study demonstrates for the first time the utilization of bisulfite adducts of transition state inhibitors in the inhibition of norovirus 3C-like protease in vitro and in a cell-based replicon system. The approach described herein can be extended to the synthesis of the bisulfite adducts of other classes of transition state inhibitors of serine and cysteine proteases, such as α-ketoheterocycles and α-ketoesters.

  19. 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

  20. 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

  1. 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

  2. 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

  3. Development of three-dimensional state-space wake theory and application in dynamic ground effect

    NASA Astrophysics Data System (ADS)

    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.

  4. 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

  5. Reduced linewidth enhancement factor due to excited state transition of quantum dot lasers.

    PubMed

    Xu, Peng-Fei; Ji, Hai-Ming; Xiao, Jin-Long; Gu, Yong-Xian; Huang, Yong-Zhen; Yang, Tao

    2012-04-15

    The carrier induced refractive index change and linewidth enhancement factor α due to ground-state (GS) and excited-state (ES) transitions have been compared by measuring the optical gain spectra from an InAs/GaAs quantum dot (QD) laser structure. It is shown that the ES transition exhibits a reduced α-factor compared to the value due to the GS transition. This result can be explained by the α-factor due to the ES transition having a smaller increase from the non-resonant carriers in the combined state of the wetting layer and InGaAs strain reducing layer than the α-factor increase due to the GS transition, since the relaxation time for carriers from the combined state of the wetting layer and InGaAs strain reducing layer to the ES is shorter than to the GS. The result reported here shows another advantage of using ES QD lasers for optical communication, in addition to their higher modulation speed.

  6. Phase-space representation of quantum state vectors: The relative-state approach and the displacement-operator approach

    NASA Astrophysics Data System (ADS)

    Ban, Masashi

    1999-08-01

    Phase-space representation of quantum state vectors has been recently formulated by means of the relative-state method developed by the present author [J. Math. Phys. 39, 1744 (1998)]. It is, however, pointed out by Mo/ller that the displacement-operator method provides another basis of phase-space representation of quantum state vectors [J. Math. Phys. (to appear)]. Hence the relation between the relative-state approach and the displacement-operator approach is discussed, both of which yield equivalent phase-space representations.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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

  12. Irreversible transitions in the exchange-striction model of spin-glass state

    NASA Astrophysics Data System (ADS)

    Valkov, V. I.; Golovchan, A. V.

    2014-08-01

    Based on the assumption of a negative volume dependence of random exchange integrals, it is possible to switch to a compressible Sherrington-Kirkpatrick spin-glass model. Within the proposed model, temperature-pressure phase diagrams were calculated and pressure- and magnetic-field-induced first-order phase transitions from the initial paramagnetic and spin-glass states to the ferromagnetic state were predicted. It was shown that the application of pressure in the spin-glass state not only increases and shifts magnetic susceptibility, but also reduces the critical magnetic fields of irreversible induced phase transitions from the spin-glass to the ferromagnetic state. The obtained results are used to describe the spin-glass state in (Sm1-xGdx)0.55Sr0.45MnO3.

  13. Points of Transition: Understanding the Constructed Identities of L2 Learners/Users across Time and Space

    ERIC Educational Resources Information Center

    Adawu, Anthony; Martin-Beltran, Melinda

    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…

  14. 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

  15. 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.

  16. 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.

  17. Cascade of quantum phase transitions in tunnel-coupled edge states.

    PubMed

    Yang, I; Kang, W; Baldwin, K W; Pfeiffer, L N; West, K W

    2004-02-01

    We report on the cascade of quantum phase transitions exhibited by tunnel-coupled edge states across a quantum Hall line junction. We identify a series of quantum critical points between successive strong and weak tunneling regimes in the zero-bias conductance. Scaling analysis shows that the conductance near the critical magnetic fields B(c) is a function of a single scaling argument /B-B(c)/T(-kappa), where the exponent kappa=0.42. This puzzling resemblance to a quantum Hall-insulator transition points to the importance of interedge correlation between the coupled edge states.

  18. 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

  19. Solving the inverse Ising problem by mean-field methods in a clustered phase space with many states

    NASA Astrophysics Data System (ADS)

    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).

  20. Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets.

    PubMed

    Zhao, Bin; Sun, Zhigang; Guo, Hua

    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 + D2 reaction with all partial waves. Excellent agreement with benchmark integral and differential cross sections is achieved.