Modeling for Transition Management

NARCIS (Netherlands)

Chappin, Emile J L; Dijkema, Gerard P.J.

2015-01-01

A framework for the modeling and simulation of transitions is presented. A transition, “substantial change in the state of a socio-technical system”, typically unfolds over a long timespan. We therefore suggest to use simulation to inform transition managers on the effect of their decisions.

Model of Ca(2+) Concentration Controlled by Sarcoplasmic Reticulum of Skeletal Muscle, Using the State Transition

National Research Council Canada - National Science Library

Yokota, M

2001-01-01

...). This report proposed a model that represents Ca(2+) in a muscle cell controlled by the SR using a state transition probability model in which one state means that protein in the SR is binding ligands, and the other...

State-and-transition prototype model of riparian vegetation downstream of Glen Canyon Dam, Arizona

Science.gov (United States)

Ralston, Barbara E.; Starfield, Anthony M.; Black, Ronald S.; Van Lonkhuyzen, Robert A.

2014-01-01

Facing an altered riparian plant community dominated by nonnative species, resource managers are increasingly interested in understanding how to manage and promote healthy riparian habitats in which native species dominate. For regulated rivers, managing flows is one tool resource managers consider to achieve these goals. Among many factors that can influence riparian community composition, hydrology is a primary forcing variable. Frame-based models, used successfully in grassland systems, provide an opportunity for stakeholders concerned with riparian systems to evaluate potential riparian vegetation responses to alternative flows. Frame-based, state-and-transition models of riparian vegetation for reattachment bars, separation bars, and the channel margin found on the Colorado River downstream of Glen Canyon Dam were constructed using information from the literature. Frame-based models can be simple spreadsheet models (created in Microsoft® Excel) or developed further with programming languages (for example, C-sharp). The models described here include seven community states and five dam operations that cause transitions between states. Each model divides operations into growing (April–September) and non-growing seasons (October–March) and incorporates upper and lower bar models, using stage elevation as a division. The inputs (operations) can be used by stakeholders to evaluate flows that may promote dynamic riparian vegetation states, or identify those flow options that may promote less desirable states (for example, Tamarisk [Tamarix sp.] temporarily flooded shrubland). This prototype model, although simple, can still elicit discussion about operational options and vegetation response.

Integrating Ecosystem Carbon Dynamics into State-and-Transition Simulation Models of Land Use/Land Cover Change

Science.gov (United States)

Sleeter, B. M.; Daniel, C.; Frid, L.; Fortin, M. J.

2016-12-01

State-and-transition simulation models (STSMs) provide a general approach for incorporating uncertainty into forecasts of landscape change. Using a Monte Carlo approach, STSMs generate spatially-explicit projections of the state of a landscape based upon probabilistic transitions defined between states. While STSMs are based on the basic principles of Markov chains, they have additional properties that make them applicable to a wide range of questions and types of landscapes. A current limitation of STSMs is that they are only able to track the fate of discrete state variables, such as land use/land cover (LULC) classes. There are some landscape modelling questions, however, for which continuous state variables - for example carbon biomass - are also required. Here we present a new approach for integrating continuous state variables into spatially-explicit STSMs. Specifically we allow any number of continuous state variables to be defined for each spatial cell in our simulations; the value of each continuous variable is then simulated forward in discrete time as a stochastic process based upon defined rates of change between variables. These rates can be defined as a function of the realized states and transitions of each cell in the STSM, thus providing a connection between the continuous variables and the dynamics of the landscape. We demonstrate this new approach by (1) developing a simple IPCC Tier 3 compliant model of ecosystem carbon biomass, where the continuous state variables are defined as terrestrial carbon biomass pools and the rates of change as carbon fluxes between pools, and (2) integrating this carbon model with an existing LULC change model for the state of Hawaii, USA.

Optimal trajectories of brain state transitions.

Science.gov (United States)

Gu, Shi; Betzel, Richard F; Mattar, Marcelo G; Cieslak, Matthew; Delio, Philip R; Grafton, Scott T; Pasqualetti, Fabio; Bassett, Danielle S

2017-03-01

The complexity of neural dynamics stems in part from the complexity of the underlying anatomy. Yet how white matter structure constrains how the brain transitions from one cognitive state to another remains unknown. Here we address this question by drawing on recent advances in network control theory to model the underlying mechanisms of brain state transitions as elicited by the collective control of region sets. We find that previously identified attention and executive control systems are poised to affect a broad array of state transitions that cannot easily be classified by traditional engineering-based notions of control. This theoretical versatility comes with a vulnerability to injury. In patients with mild traumatic brain injury, we observe a loss of specificity in putative control processes, suggesting greater susceptibility to neurophysiological noise. These results offer fundamental insights into the mechanisms driving brain state transitions in healthy cognition and their alteration following injury. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Enhanced Prognostic Model for Lithium Ion Batteries Based on Particle Filter State Transition Model Modification

Directory of Open Access Journals (Sweden)

Buddhi Arachchige

2017-11-01

Full Text Available This paper focuses on predicting the End of Life and End of Discharge of Lithium ion batteries using a battery capacity fade model and a battery discharge model. The proposed framework will be able to estimate the Remaining Useful Life (RUL and the Remaining charge through capacity fade and discharge models. A particle filter is implemented that estimates the battery’s State of Charge (SOC and State of Life (SOL by utilizing the battery’s physical data such as voltage, temperature, and current measurements. The accuracy of the prognostic framework has been improved by enhancing the particle filter state transition model to incorporate different environmental and loading conditions without retuning the model parameters. The effect of capacity fade in the reduction of the EOD (End of Discharge time with cycling has also been included, integrating both EOL (End of Life and EOD prediction models in order to get more accuracy in the estimations.

Methods used to parameterize the spatially-explicit components of a state-and-transition simulation model

Directory of Open Access Journals (Sweden)

Rachel R. Sleeter

2015-06-01

Full Text Available Spatially-explicit state-and-transition simulation models of land use and land cover (LULC increase our ability to assess regional landscape characteristics and associated carbon dynamics across multiple scenarios. By characterizing appropriate spatial attributes such as forest age and land-use distribution, a state-and-transition model can more effectively simulate the pattern and spread of LULC changes. This manuscript describes the methods and input parameters of the Land Use and Carbon Scenario Simulator (LUCAS, a customized state-and-transition simulation model utilized to assess the relative impacts of LULC on carbon stocks for the conterminous U.S. The methods and input parameters are spatially explicit and describe initial conditions (strata, state classes and forest age, spatial multipliers, and carbon stock density. Initial conditions were derived from harmonization of multi-temporal data characterizing changes in land use as well as land cover. Harmonization combines numerous national-level datasets through a cell-based data fusion process to generate maps of primary LULC categories. Forest age was parameterized using data from the North American Carbon Program and spatially-explicit maps showing the locations of past disturbances (i.e. wildfire and harvest. Spatial multipliers were developed to spatially constrain the location of future LULC transitions. Based on distance-decay theory, maps were generated to guide the placement of changes related to forest harvest, agricultural intensification/extensification, and urbanization. We analyze the spatially-explicit input parameters with a sensitivity analysis, by showing how LUCAS responds to variations in the model input. This manuscript uses Mediterranean California as a regional subset to highlight local to regional aspects of land change, which demonstrates the utility of LUCAS at many scales and applications.

Methods used to parameterize the spatially-explicit components of a state-and-transition simulation model

Science.gov (United States)

Sleeter, Rachel; Acevedo, William; Soulard, Christopher E.; Sleeter, Benjamin M.

2015-01-01

Spatially-explicit state-and-transition simulation models of land use and land cover (LULC) increase our ability to assess regional landscape characteristics and associated carbon dynamics across multiple scenarios. By characterizing appropriate spatial attributes such as forest age and land-use distribution, a state-and-transition model can more effectively simulate the pattern and spread of LULC changes. This manuscript describes the methods and input parameters of the Land Use and Carbon Scenario Simulator (LUCAS), a customized state-and-transition simulation model utilized to assess the relative impacts of LULC on carbon stocks for the conterminous U.S. The methods and input parameters are spatially explicit and describe initial conditions (strata, state classes and forest age), spatial multipliers, and carbon stock density. Initial conditions were derived from harmonization of multi-temporal data characterizing changes in land use as well as land cover. Harmonization combines numerous national-level datasets through a cell-based data fusion process to generate maps of primary LULC categories. Forest age was parameterized using data from the North American Carbon Program and spatially-explicit maps showing the locations of past disturbances (i.e. wildfire and harvest). Spatial multipliers were developed to spatially constrain the location of future LULC transitions. Based on distance-decay theory, maps were generated to guide the placement of changes related to forest harvest, agricultural intensification/extensification, and urbanization. We analyze the spatially-explicit input parameters with a sensitivity analysis, by showing how LUCAS responds to variations in the model input. This manuscript uses Mediterranean California as a regional subset to highlight local to regional aspects of land change, which demonstrates the utility of LUCAS at many scales and applications.

Mental models accurately predict emotion transitions.

Science.gov (United States)

Thornton, Mark A; Tamir, Diana I

2017-06-06

Successful social interactions depend on people's ability to predict others' future actions and emotions. People possess many mechanisms for perceiving others' current emotional states, but how might they use this information to predict others' future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others' emotional dynamics. People could then use these mental models of emotion transitions to predict others' future emotions from currently observable emotions. To test this hypothesis, studies 1-3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants' ratings of emotion transitions predicted others' experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation-valence, social impact, rationality, and human mind-inform participants' mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants' accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone.

Mental models accurately predict emotion transitions

Science.gov (United States)

Thornton, Mark A.; Tamir, Diana I.

2017-01-01

Successful social interactions depend on people’s ability to predict others’ future actions and emotions. People possess many mechanisms for perceiving others’ current emotional states, but how might they use this information to predict others’ future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others’ emotional dynamics. People could then use these mental models of emotion transitions to predict others’ future emotions from currently observable emotions. To test this hypothesis, studies 1–3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants’ ratings of emotion transitions predicted others’ experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation—valence, social impact, rationality, and human mind—inform participants’ mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants’ accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone. PMID:28533373

Variational transition-state theory

International Nuclear Information System (INIS)

Truhlar, D.G.; Garrett, B.C.

1980-01-01

A general introduction to and some results from studies of a procedure called variational transition-state theory are presented. A fundamental assumption of this theory is that the net rate of forward reaction at equilibrium equals the equilibrium flux in the product direction through the transition state where the transition state is a surface in phase space dividing reactants from products. Classical generalized-transition-state-theory calculations for nine collinear systems are compared to classical trajectory calculations. This new technique should provide useful insight into the successes and failures of the conventional theory and useful quantitative estimates of possible errors on the predictions of conventional transition-state theory. This should also contribute to a more accurate theory now available for the practical calculations of chemical reaction rates and thermochemical and structural interpretations of rate processes

Macroscopic Quantum States and Quantum Phase Transition in the Dicke Model

International Nuclear Information System (INIS)

Lian Jin-Ling; Zhang Yuan-Wei; Liang Jiu-Qing

2012-01-01

The energy spectrum of Dicke Hamiltonians with and without the rotating wave approximation for an arbitrary atom number is obtained analytically by means of the variational method, in which the effective pseudo-spin Hamiltonian resulting from the expectation value in the boson-field coherent state is diagonalized by the spin-coherent-state transformation. In addition to the ground-state energy, an excited macroscopic quantum-state is found corresponding to the south- and north-pole gauges of the spin-coherent states, respectively. Our results of ground-state energies in exact agreement with various approaches show that these models exhibit a zero-temperature quantum phase transition of the second order for any number of atoms, which was commonly considered as a phenomenon of the thermodynamic limit with the atom number tending to infinity. The critical behavior of the geometric phase is analyzed. (general)

Approaches to incorporating climate change effects in state and transition simulation models of vegetation

Science.gov (United States)

Becky K. Kerns; Miles A. Hemstrom; David Conklin; Gabriel I. Yospin; Bart Johnson; Dominique Bachelet; Scott Bridgham

2012-01-01

Understanding landscape vegetation dynamics often involves the use of scientifically-based modeling tools that are capable of testing alternative management scenarios given complex ecological, management, and social conditions. State-and-transition simulation model (STSM) frameworks and software such as PATH and VDDT are commonly used tools that simulate how landscapes...

A harmonic transition state theory model for defect initiation in crystals

International Nuclear Information System (INIS)

Delph, T J; Cao, P; Park, H S; Zimmerman, J A

2013-01-01

We outline here a model for the initiation of defects in crystals based upon harmonic transition state theory (hTST). This model combines a previously developed model for zero-temperature defect initiation with a multi-dimensional hTST model that is capable of accurately predicting the effects of temperature and loading rate upon defect initiation. The model has several features that set it apart from previous efforts along these lines, most notably a straightforward method of determining the energy barrier between adjacent equilibrium states that does not depend upon a priori information concerning the nature of the defect. We apply the model to two examples, triaxial stretching of a perfect fcc crystal and nanoindentation of a gold substrate. Very good agreement is found between the predictions of the model and independent molecular dynamics (MD) simulations. Among other things, the model predicts a strong dependence of the defect initiation behavior upon the loading parameter. A very attractive feature of this model is that it is valid for arbitrarily slow loading rates, in particular loading rates achievable in the laboratory, and suffers from none of the limitations in this regard inherent in MD simulations. (paper)

Chapter 5: Application of state-and-transition models to evaluate wildlife habitat

Science.gov (United States)

Anita T. Morzillo; Pamela Comeleo; Blair Csuti; Stephanie Lee

2014-01-01

Wildlife habitat analysis often is a central focus of natural resources management and policy. State-and-transition models (STMs) allow for simulation of landscape level ecological processes, and for managers to test “what if” scenarios of how those processes may affect wildlife habitat. This chapter describes the methods used to link STM output to wildlife habitat to...

Liquid-liquid phase transition and glass transition in a monoatomic model system.

Science.gov (United States)

Xu, Limei; Buldyrev, Sergey V; Giovambattista, Nicolas; Stanley, H Eugene

2010-01-01

We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions. This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition. Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

Liquid-Liquid Phase Transition and Glass Transition in a Monoatomic Model System

Directory of Open Access Journals (Sweden)

Nicolas Giovambattista

2010-12-01

Full Text Available We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions. This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition. Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

Semi-Markov models for interval censored transient cognitive states with back transitions and a competing risk.

Science.gov (United States)

Wei, Shaoceng; Kryscio, Richard J

2016-12-01

Continuous-time multi-state stochastic processes are useful for modeling the flow of subjects from intact cognition to dementia with mild cognitive impairment and global impairment as intervening transient cognitive states and death as a competing risk. Each subject's cognition is assessed periodically resulting in interval censoring for the cognitive states while death without dementia is not interval censored. Since back transitions among the transient states are possible, Markov chains are often applied to this type of panel data. In this manuscript, we apply a semi-Markov process in which we assume that the waiting times are Weibull distributed except for transitions from the baseline state, which are exponentially distributed and in which we assume no additional changes in cognition occur between two assessments. We implement a quasi-Monte Carlo (QMC) method to calculate the higher order integration needed for likelihood estimation. We apply our model to a real dataset, the Nun Study, a cohort of 461 participants. © The Author(s) 2014.

Transitional region of phase transitions in nuclear models

Energy Technology Data Exchange (ETDEWEB)

Kotze, A A

1988-01-01

The phase transition in an exactly solvable nuclear model, the Lipkin model, is scrutinised, first using Hartree-Fock methods or the plain mean flield approximation, and then using projected wave functions. It turns out that the plain mean field is not reliable in the transitional region. Although the projection methods give better resutls in the transitional region, it leads to spurious singularities. While the energy of the projection before variation is slightly better than its projection after variation counterpart, the perfomance of the wave function is considerably worse in the transitional region. The model's wave function undergoes dramatic changes in the transitional region. The mechanism that brings about these changes is studied within a model Hamiltonian that can reproduce the Lipkin model mathematically. It turns out that the numerous exceptional points found in the transitional region, bring about the change of the ground state wave function. Exceptional points are associated with level crossings in the complex plane. These level crossings can be seen as level repulsions in the spectrum. Level repulsion and a sensitive dependence of the system on some external parameter are characteristics of chaotic behaviour. These two features are found in the transitional region of the Lipkin model. In order to study chaos, one has to resort to a statistical analysis. A measure of the chaotic behaviour of systems, the ..delta../sub 3/ statistic, is introduced. The results show that the Lipkin model is harmonic, even in the transitional region. For the Lipkin model the exceptional points are regularly distributed in the complex plane. In a total chaotic system the points would be randomly distributed.

Modeling Enzymatic Transition States by Force Field Methods

DEFF Research Database (Denmark)

Hansen, Mikkel Bo; Jensen, Hans Jørgen Aagaard; Jensen, Frank

2009-01-01

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-5'-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...

Variational Transition State Theory

Energy Technology Data Exchange (ETDEWEB)

Truhlar, Donald G. [Univ. of Minnesota, Minneapolis, MN (United States)

2016-09-29

This is the final report on a project involving the development and applications of variational transition state theory. This project involved the development of variational transition state theory for gas-phase reactions, including optimized multidimensional tunneling contributions and the application of this theory to gas-phase reactions with a special emphasis on developing reaction rate theory in directions that are important for applications to combustion. The development of variational transition state theory with optimized multidimensional tunneling as a useful computational tool for combustion kinetics involved eight objectives.

The transitional region of phase transitions in nuclear models

International Nuclear Information System (INIS)

Kotze, A.A.

1988-01-01

The phase transition in an exactly solvable nuclear model, the Lipkin model, is scrutinised, first using Hartree-Fock methods or the plain mean flield approximation, and then using projected wave functions. It turns out that the plain mean field is not reliable in the transitional region. Although the projection methods give better resutls in the transitional region, it leads to spurious singularities. While the energy of the projection before variation is slightly better than its projection after variation counterpart, the perfomance of the wave function is considerably worse in the transitional region. The model's wave function undergoes dramatic changes in the transitional region. The mechanism that brings about these changes is studied within a model Hamiltonian that can reproduce the Lipkin model mathematically. It turns out that the numerous exceptional points found in the transitional region, bring about the change of the ground state wave function. Exceptional points are associated with level crossings in the complex plane. These level crossings can be seen as level repulsions in the spectrum. Level repulsion and a sensitive dependence of the system on some external parameter are characteristics of chaotic behaviour. These two features are found in the transitional region of the Lipkin model. In order to study chaos, one has to resort to a statistical analysis. A measure of the chaotic behaviour of systems, the Δ 3 statistic, is introduced. The results show that the Lipkin model is harmonic, even in the transitional region. For the Lipkin model the exceptional points are regularly distributed in the complex plane. In a total chaotic system the points would be randomly distributed

Variational transition state theory

International Nuclear Information System (INIS)

Truhlar, D.G.

1986-01-01

This project is concerned with the development and applications of generalized transition state theory and multidimensional tunneling approximations to chemical reaction rates. They have developed and implemented several practical versions of variational transition state theory (VTST), namely canonical variational theory (CVT), improved canonical variational theory (ICVT), and microcanonical variational theory (μVT). They have also developed and implemented several accurate multidimensional semiclassical tunneling approximations, the most accurate of which are the small-curvature semiclassical adiabatic (SCSA), large-curvature version-3 (LC3), and least-action (LA) approximations. They have applied the methods to thermal rate constants, using transmission coefficients based on ground-state tunneling, and they have also presented and applied adiabatic and diabatic extensions to calculated rate constants for vibrationally excited reactants. Their general goal is to develop accurate methods for calculating chemical reaction rate constants that remain practical even for reasonably complicated molecules. The approximations mentioned above yield rate constants for systems whose potential energy surface is known or assumed. Thus a second, equally important aspect of their work is the determination or modeling, semi-empirically and/or from electronic structure calculations, of potential energy surfaces

Phase Transitions in Algebraic Cluster Models

International Nuclear Information System (INIS)

Yepez-Martinez, H.; Cseh, J.; Hess, P.O.

2006-01-01

Complete text of publication follows. Phase transitions in nuclear systems are of utmost interest. An interesting class of phase transitions can be seen in algebraic models of nuclear structure. They are called shapephase transitions due to the following reason. These models have analytically solvable limiting cases, called dynamical symmetries, which are characterized by a chain of nested subgroups. They correspond to well-defined geometrical shape and behaviour, e.g. to rotation of an ellipsoid, or spherical vibration. The general case of the model, which includes interactions described by more than one groupchain, breaks the symmetry, and changing the relative strengths of these interactions, one can go from one shape to the other. In doing so a phase-transition can be seen. A phase transition is defined as a discontinuity of some quantity as a function of the control parameter, which gives the relative strength of the interactions of different symmetries. Real phase transitions can take place only in infinite systems, like in the classical limits of these algebraic models, when the particle number N is very large: N → ∞. For finite N the discontinuities are smoothed out, nevertheless, some indications of the phase-transitions can still be there. A controlled way of breaking the dynamical symmetries may reveal another very interesting phenomenon, i.e. the appearance of a quasidynamical (or effective) symmetry. This rather general symmetry-concept of quantum mechanics corresponds to a situation, in which the symmetry-breaking interactions are so strong that the energy-eigenfunctions are not symmetric, i.e. are not basis states of an irreducible representation of the symmetry group, rather they are linear combinations of these basis states. However, they are very special linear combinations in the sense that their coefficients are (approximately) identical for states with different spin values. When this is the case, then the underlying intrinsic state is the

Encapsulating model complexity and landscape-scale analyses of state-and-transition simulation models: an application of ecoinformatics and juniper encroachment in sagebrush steppe ecosystems

Science.gov (United States)

O'Donnell, Michael

2015-01-01

State-and-transition simulation modeling relies on knowledge of vegetation composition and structure (states) that describe community conditions, mechanistic feedbacks such as fire that can affect vegetation establishment, and ecological processes that drive community conditions as well as the transitions between these states. However, as the need for modeling larger and more complex landscapes increase, a more advanced awareness of computing resources becomes essential. The objectives of this study include identifying challenges of executing state-and-transition simulation models, identifying common bottlenecks of computing resources, developing a workflow and software that enable parallel processing of Monte Carlo simulations, and identifying the advantages and disadvantages of different computing resources. To address these objectives, this study used the ApexRMS® SyncroSim software and embarrassingly parallel tasks of Monte Carlo simulations on a single multicore computer and on distributed computing systems. The results demonstrated that state-and-transition simulation models scale best in distributed computing environments, such as high-throughput and high-performance computing, because these environments disseminate the workloads across many compute nodes, thereby supporting analysis of larger landscapes, higher spatial resolution vegetation products, and more complex models. Using a case study and five different computing environments, the top result (high-throughput computing versus serial computations) indicated an approximate 96.6% decrease of computing time. With a single, multicore compute node (bottom result), the computing time indicated an 81.8% decrease relative to using serial computations. These results provide insight into the tradeoffs of using different computing resources when research necessitates advanced integration of ecoinformatics incorporating large and complicated data inputs and models. - See more at: http

Simple solvable energy-landscape model that shows a thermodynamic phase transition and a glass transition.

Science.gov (United States)

Naumis, Gerardo G

2012-06-01

When a liquid melt is cooled, a glass or phase transition can be obtained depending on the cooling rate. Yet, this behavior has not been clearly captured in energy-landscape models. Here, a model is provided in which two key ingredients are considered in the landscape, metastable states and their multiplicity. Metastable states are considered as in two level system models. However, their multiplicity and topology allows a phase transition in the thermodynamic limit for slow cooling, while a transition to the glass is obtained for fast cooling. By solving the corresponding master equation, the minimal speed of cooling required to produce the glass is obtained as a function of the distribution of metastable states.

Forecasting timber, biomass, and tree carbon pools with the output of state and transition models

Science.gov (United States)

Xiaoping Zhou; Miles A. Hemstrom

2012-01-01

The Integrated Landscape Assessment Project (ILAP) uses spatial vegetation data and state and transition models (STM) to forecast future vegetation conditions and the interacting effects of natural disturbances and management activities. Results from ILAP will help land managers, planners, and policymakers evaluate management strategies that reduce fire risk, improve...

State-to-state models of vibrational relaxation in Direct Simulation Monte Carlo (DSMC)

Science.gov (United States)

Oblapenko, G. P.; Kashkovsky, A. V.; Bondar, Ye A.

2017-02-01

In the present work, the application of state-to-state models of vibrational energy exchanges to the Direct Simulation Monte Carlo (DSMC) is considered. A state-to-state model for VT transitions of vibrational energy in nitrogen and oxygen, based on the application of the inverse Laplace transform to results of quasiclassical trajectory calculations (QCT) of vibrational energy transitions, along with the Forced Harmonic Oscillator (FHO) state-to-state model is implemented in DSMC code and applied to flows around blunt bodies. Comparisons are made with the widely used Larsen-Borgnakke model and the in uence of multi-quantum VT transitions is assessed.

State and transition models: Theory, applications, and challenges. In: Briske, D.D. Rangeland Systems: Processes, Management and Challenges

Science.gov (United States)

State and transition models (STMs) are used for communicating about ecosystem change in rangelands and other ecosystems, especially the implications for management. The fundamental premise that rangelands can exhibit multiple states is now widely accepted. The current application of STMs for managem...

M1 transitions between superdeformed states in 195Tl

International Nuclear Information System (INIS)

Zheng Xing; Xingqu Chen; Xiaochun Wang

1996-01-01

Using a triaxial-particle-rotor model, the quadrupole and dipole transition energies, kinematic and dynamic moments of inertia, electromagnetic transition probabilities and the relative intensity of the E2 γ-transitions are calculated for superdeformed bands in 195 Tl. A strong perturbation effect of rotation on transition energies and M1 and E2 transitions of superdeformed states is investigated. The total M1 transitions, enhanced by internal conversion, are expected to compete strongly with the E2 γ-ray at low spins in the superdeformed 195 Tl nucleus. (author)

Developing ecological site and state-and-transition models for grazed riparian pastures at Tejon Ranch, California

Science.gov (United States)

Felix P. Ratcliff; James Bartolome; Michele Hammond; Sheri Spiegal; Michael White

2015-01-01

Ecological site descriptions and associated state-and-transition models are useful tools for understanding the variable effects of management and environment on range resources. Models for woody riparian sites have yet to be fully developed. At Tejon Ranch, in the southern San Joaquin Valley of California, we are using ecological site theory to investigate the role of...

Transition state structures in solution

International Nuclear Information System (INIS)

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

1995-01-01

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

Coherent state approach for the Φ6-lattice model and phase transitions

International Nuclear Information System (INIS)

Aguero-Granados, M.A.; Makhan'kov, V.G.

1991-01-01

Phase transitions in the lattice version of the Φ 6 -field theory are studied. The generalized coherent states approach to is used. In such a way the roles of kinks and bubbles in phase transitions have been reexamined. It is shown via a numerical analysis that first and second order phase transitions appear due to the behaviour of kinks and bubbles excitations. 12 refs.; 10 figs

Modelling transition states of a small once-through boiler

Energy Technology Data Exchange (ETDEWEB)

Talonpoika, T [Lappeenranta Univ. of Technology (Finland). Dept. of Energy Technology

1998-12-31

This article presents a model for the unsteady dynamic behaviour of a once-through counter flow boiler that uses an organic working fluid. The boiler is a compact waste-heat boiler without a furnace and it has a preheater, a vaporiser and a superheater. The relative lengths of the boiler parts vary with the operating conditions since they are all parts of a single tube. The boiler model is presented using a selected example case that uses toluene as the process fluid and flue gas from natural gas combustion as the heat source. The dynamic behaviour of the boiler means transition from the steady initial state towards another steady state that corresponds to the changed process conditions. The solution method chosen is to find such a pressure of the process fluid that the mass of the process fluid in the boiler equals the mass calculated using the mass flows into and out of the boiler during a time step, using the finite difference method. A special method of fast calculation of the thermal properties is used, because most of the calculation time is spent in calculating the fluid properties. The boiler is divided into elements. The values of the thermodynamic properties and mass flows are calculated in the nodes that connect the elements. Dynamic behaviour is limited to the process fluid and tube wall, and the heat source is regarded as to be steady. The elements that connect the preheater to the vaporiser and the vaporiser to the superheater are treated in a special way that takes into account a flexible change from one part to the other. The initial state of the boiler is received from a steady process model that is not a part of the boiler model. The known boundary values that may vary during the dynamic calculation were the inlet temperature and mass flow rates of both the heat source fluid and the process fluid. The dynamic boiler model is analysed for linear and step charges of the entering fluid temperatures and flow rates. The heat source side tests show that

Modelling transition states of a small once-through boiler

Energy Technology Data Exchange (ETDEWEB)

Talonpoika, T. [Lappeenranta Univ. of Technology (Finland). Dept. of Energy Technology

1997-12-31

This article presents a model for the unsteady dynamic behaviour of a once-through counter flow boiler that uses an organic working fluid. The boiler is a compact waste-heat boiler without a furnace and it has a preheater, a vaporiser and a superheater. The relative lengths of the boiler parts vary with the operating conditions since they are all parts of a single tube. The boiler model is presented using a selected example case that uses toluene as the process fluid and flue gas from natural gas combustion as the heat source. The dynamic behaviour of the boiler means transition from the steady initial state towards another steady state that corresponds to the changed process conditions. The solution method chosen is to find such a pressure of the process fluid that the mass of the process fluid in the boiler equals the mass calculated using the mass flows into and out of the boiler during a time step, using the finite difference method. A special method of fast calculation of the thermal properties is used, because most of the calculation time is spent in calculating the fluid properties. The boiler is divided into elements. The values of the thermodynamic properties and mass flows are calculated in the nodes that connect the elements. Dynamic behaviour is limited to the process fluid and tube wall, and the heat source is regarded as to be steady. The elements that connect the preheater to the vaporiser and the vaporiser to the superheater are treated in a special way that takes into account a flexible change from one part to the other. The initial state of the boiler is received from a steady process model that is not a part of the boiler model. The known boundary values that may vary during the dynamic calculation were the inlet temperature and mass flow rates of both the heat source fluid and the process fluid. The dynamic boiler model is analysed for linear and step charges of the entering fluid temperatures and flow rates. The heat source side tests show that

Vacuum transitions in dual models

International Nuclear Information System (INIS)

Pashnev, A.I.; Volkov, D.V.; Zheltukhin, A.A.

1976-01-01

The investigation is continued of the spontaneous vacuum transition problem in the Neview-Schwartz dual model (NSDM). It is shown that vacuum transitions allow disclosing of supplementary degeneration in the resonance state spectrum. The dual amplitudes possess an internal structure corresponding to the presence of an infinite number of quarks with increasing masses and retained charges. The Adler principle holds. Analytic continuation on the constant of induced vacuum transitions makes it possible to establish the existence of spontaneous vacuum transitions in the NSDM. The consequence of this fact is the exact SU(2) symmetry of π, rho meson trajectories and the Higgs mechanism in the model. In this case the ratios of masses of particles leading trajectories are analogous to those obtained in the current algebra. It is shown that in the NSDM there arises chiral SU(2) x SU(2) x U(1) x U(1) x ... symmetry resulting from spontaneous vacuum transitions

Transitions between compound states of spherical nuclei

International Nuclear Information System (INIS)

Kadmenskii, S.G.; Markushev, V.P.; Furman, V.I.

1980-01-01

Wigner's statistical matrices are used to study the average reduced g widths and their dispersion for g transitions from a compound state c to another state f, with a lower excitation energy but of arbitrary complexity, for spherical nuclei. It is found that the Porter--Thomas distribution holds for the g widths for all cases of practical interest. In g transitions between compound states c and c' with E/sub g/< or =2 MeV, the most important transitions are M1 transitions involving the major many-quasiparticle components of state c and E1 transitions involving the minor components of state c. It is shown that the strength functions predicted by the various theories for M1 and E1 transitions between compound states with E/sub g/< or =2 MeV are similar. Preference is assigned to the M1-transition version because of experimental results on (n,ga) reactions with thermal and resonance neutrons

Bifurcations of transition states: Morse bifurcations

International Nuclear Information System (INIS)

MacKay, R S; Strub, D C

2014-01-01

A transition state for a Hamiltonian system is a closed, invariant, oriented, codimension-2 submanifold of an energy level that can be spanned by two compact codimension-1 surfaces of unidirectional flux whose union, called a dividing surface, locally separates the energy level into two components and has no local recrossings. For this to happen robustly to all smooth perturbations, the transition state must be normally hyperbolic. The dividing surface then has locally minimal geometric flux through it, giving an upper bound on the rate of transport in either direction. Transition states diffeomorphic to S 2m−3 are known to exist for energies just above any index-1 critical point of a Hamiltonian of m degrees of freedom, with dividing surfaces S 2m−2 . The question addressed here is what qualitative changes in the transition state, and consequently the dividing surface, may occur as the energy or other parameters are varied? We find that there is a class of systems for which the transition state becomes singular and then regains normal hyperbolicity with a change in diffeomorphism class. These are Morse bifurcations. Various examples are considered. Firstly, some simple examples in which transition states connect or disconnect, and the dividing surface may become a torus or other. Then, we show how sequences of Morse bifurcations producing various interesting forms of transition state and dividing surface are present in reacting systems, by considering a hypothetical class of bimolecular reactions in gas phase. (paper)

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

Energy Technology Data Exchange (ETDEWEB)

Qiao, Qin, E-mail: qqiao@ust.hk; Zhang, Hou-Dao [Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Huang, Xuhui, E-mail: xuhuihuang@ust.hk [Department of Chemistry, Division of Biomedical Engineering, Center of Systems Biology and Human Health, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); The HKUST Shenzhen Research Institute, Shenzhen (China)

2016-04-21

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

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

Science.gov (United States)

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

2016-04-01

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

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

International Nuclear Information System (INIS)

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

2016-01-01

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.

Using state-and-transition modeling to account for imperfect detection in invasive species management

Science.gov (United States)

Frid, Leonardo; Holcombe, Tracy; Morisette, Jeffrey T.; Olsson, Aaryn D.; Brigham, Lindy; Bean, Travis M.; Betancourt, Julio L.; Bryan, Katherine

2013-01-01

Buffelgrass, a highly competitive and flammable African bunchgrass, is spreading rapidly across both urban and natural areas in the Sonoran Desert of southern and central Arizona. Damages include increased fire risk, losses in biodiversity, and diminished revenues and quality of life. Feasibility of sustained and successful mitigation will depend heavily on rates of spread, treatment capacity, and cost–benefit analysis. We created a decision support model for the wildland–urban interface north of Tucson, AZ, using a spatial state-and-transition simulation modeling framework, the Tool for Exploratory Landscape Scenario Analyses. We addressed the issues of undetected invasions, identifying potentially suitable habitat and calibrating spread rates, while answering questions about how to allocate resources among inventory, treatment, and maintenance. Inputs to the model include a state-and-transition simulation model to describe the succession and control of buffelgrass, a habitat suitability model, management planning zones, spread vectors, estimated dispersal kernels for buffelgrass, and maps of current distribution. Our spatial simulations showed that without treatment, buffelgrass infestations that started with as little as 80 ha (198 ac) could grow to more than 6,000 ha by the year 2060. In contrast, applying unlimited management resources could limit 2060 infestation levels to approximately 50 ha. The application of sufficient resources toward inventory is important because undetected patches of buffelgrass will tend to grow exponentially. In our simulations, areas affected by buffelgrass may increase substantially over the next 50 yr, but a large, upfront investment in buffelgrass control could reduce the infested area and overall management costs.

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

International Nuclear Information System (INIS)

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

2009-01-01

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.

Linking state-and-transition simulation and timber supply models for forest biomass production scenarios

Science.gov (United States)

Costanza, Jennifer; Abt, Robert C.; McKerrow, Alexa; Collazo, Jaime

2015-01-01

We linked state-and-transition simulation models (STSMs) with an economics-based timber supply model to examine landscape dynamics in North Carolina through 2050 for three scenarios of forest biomass production. Forest biomass could be an important source of renewable energy in the future, but there is currently much uncertainty about how biomass production would impact landscapes. In the southeastern US, if forests become important sources of biomass for bioenergy, we expect increased land-use change and forest management. STSMs are ideal for simulating these landscape changes, but the amounts of change will depend on drivers such as timber prices and demand for forest land, which are best captured with forest economic models. We first developed state-and-transition model pathways in the ST-Sim software platform for 49 vegetation and land-use types that incorporated each expected type of landscape change. Next, for the three biomass production scenarios, the SubRegional Timber Supply Model (SRTS) was used to determine the annual areas of thinning and harvest in five broad forest types, as well as annual areas converted among those forest types, agricultural, and urban lands. The SRTS output was used to define area targets for STSMs in ST-Sim under two scenarios of biomass production and one baseline, business-as-usual scenario. We show that ST-Sim output matched SRTS targets in most cases. Landscape dynamics results indicate that, compared with the baseline scenario, forest biomass production leads to more forest and, specifically, more intensively managed forest on the landscape by 2050. Thus, the STSMs, informed by forest economics models, provide important information about potential landscape effects of bioenergy production.

Linking state-and-transition simulation and timber supply models for forest biomass production scenarios

Directory of Open Access Journals (Sweden)

Jennifer K. Costanza

2015-03-01

Full Text Available We linked state-and-transition simulation models (STSMs with an economics-based timber supply model to examine landscape dynamics in North Carolina through 2050 for three scenarios of forest biomass production. Forest biomass could be an important source of renewable energy in the future, but there is currently much uncertainty about how biomass production would impact landscapes. In the southeastern US, if forests become important sources of biomass for bioenergy, we expect increased land-use change and forest management. STSMs are ideal for simulating these landscape changes, but the amounts of change will depend on drivers such as timber prices and demand for forest land, which are best captured with forest economic models. We first developed state-and-transition model pathways in the ST-Sim software platform for 49 vegetation and land-use types that incorporated each expected type of landscape change. Next, for the three biomass production scenarios, the SubRegional Timber Supply Model (SRTS was used to determine the annual areas of thinning and harvest in five broad forest types, as well as annual areas converted among those forest types, agricultural, and urban lands. The SRTS output was used to define area targets for STSMs in ST-Sim under two scenarios of biomass production and one baseline, business-as-usual scenario. We show that ST-Sim output matched SRTS targets in most cases. Landscape dynamics results indicate that, compared with the baseline scenario, forest biomass production leads to more forest and, specifically, more intensively managed forest on the landscape by 2050. Thus, the STSMs, informed by forest economics models, provide important information about potential landscape effects of bioenergy production.

Convergence of Transition Probability Matrix in CLVMarkov Models

Science.gov (United States)

Permana, D.; Pasaribu, U. S.; Indratno, S. W.; Suprayogi, S.

2018-04-01

A transition probability matrix is an arrangement of transition probability from one states to another in a Markov chain model (MCM). One of interesting study on the MCM is its behavior for a long time in the future. The behavior is derived from one property of transition probabilty matrix for n steps. This term is called the convergence of the n-step transition matrix for n move to infinity. Mathematically, the convergence of the transition probability matrix is finding the limit of the transition matrix which is powered by n where n moves to infinity. The convergence form of the transition probability matrix is very interesting as it will bring the matrix to its stationary form. This form is useful for predicting the probability of transitions between states in the future. The method usually used to find the convergence of transition probability matrix is through the process of limiting the distribution. In this paper, the convergence of the transition probability matrix is searched using a simple concept of linear algebra that is by diagonalizing the matrix.This method has a higher level of complexity because it has to perform the process of diagonalization in its matrix. But this way has the advantage of obtaining a common form of power n of the transition probability matrix. This form is useful to see transition matrix before stationary. For example cases are taken from CLV model using MCM called Model of CLV-Markov. There are several models taken by its transition probability matrix to find its convergence form. The result is that the convergence of the matrix of transition probability through diagonalization has similarity with convergence with commonly used distribution of probability limiting method.

Quantum phase transitions in matrix product states

International Nuclear Information System (INIS)

Zhu Jingmin

2008-01-01

We present a new general and much simpler scheme to construct various quantum phase transitions (QPTs) in spin chain systems with matrix product ground states. By use of the scheme we take into account one kind of matrix product state (MPS) QPT and provide a concrete model. We also study the properties of the concrete example and show that a kind of QPT appears, accompanied by the appearance of the discontinuity of the parity absent block physical observable, diverging correlation length only for the parity absent block operator, and other properties which are that the fixed point of the transition point is an isolated intermediate-coupling fixed point of renormalization flow and the entanglement entropy of a half-infinite chain is discontinuous. (authors)

Quantum Phase Transitions in Matrix Product States

International Nuclear Information System (INIS)

Jing-Min, Zhu

2008-01-01

We present a new general and much simpler scheme to construct various quantum phase transitions (QPTs) in spin chain systems with matrix product ground states. By use of the scheme we take into account one kind of matrix product state (MPS) QPT and provide a concrete model. We also study the properties of the concrete example and show that a kind of QPT appears, accompanied by the appearance of the discontinuity of the parity absent block physical observable, diverging correlation length only for the parity absent block operator, and other properties which are that the fixed point of the transition point is an isolated intermediate-coupling fixed point of renormalization flow and the entanglement entropy of a half-infinite chain is discontinuous

State-and-transition models: Conceptual versus simulation perspectives, usefulness and breadth of use, and land management applications

Science.gov (United States)

Provencher, Louis; Frid, Leonardo; Czembor, Christina; Morisette, Jeffrey T.

2016-01-01

State-and-Transition Simulation Modeling (STSM) is a quantitative analysis method that can consolidate a wide array of resource management issues under a “what-if” scenario exercise. STSM can be seen as an ensemble of models, such as climate models, ecological models, and economic models that incorporate human dimensions and management options. This chapter presents STSM as a tool to help synthesize information on social–ecological systems and to investigate some of the management issues associated with exotic annual Bromus species, which have been described elsewhere in this book. Definitions, terminology, and perspectives on conceptual and computer-simulated stochastic state-and-transition models are given first, followed by a brief review of past STSM studies relevant to the management of Bromus species. A detailed case study illustrates the usefulness of STSM for land management. As a whole, this chapter is intended to demonstrate how STSM can help both managers and scientists: (a) determine efficient resource allocation for monitoring nonnative grasses; (b) evaluate sources of uncertainty in model simulation results involving expert opinion, and their consequences for management decisions; and (c) provide insight into the consequences of predicted local climate change effects on ecological systems invaded by exotic annual Bromus species.

Critical behaviour of continuous phase transitions with infinitely many absorbing states

International Nuclear Information System (INIS)

Hua Dayin; Wang Lieyan; Chen Ting

2006-01-01

A lattice gas model is proposed for the A 2 + 2B 2 → 2B 2 A reaction system with particle diffusion. In the model, A 2 dissociates in the random dimer-filling mechanism and B 2 dissociation is in the end-on dimer-filling mechanism. A reactive window appears and the system exhibits a continuous phase transition from a reactive state to a covered state with infinitely many absorbing states. When the diffusion of particle A and AB is included, there are still infinitely many absorbing states for the continuous phase transition, but it is found that the critical behaviour changes from the directed percolation (DP) class to the pair contact process with diffusion (PCPD) class

Two-Dimensional Wetting Transition Modeling with the Potts Model

Science.gov (United States)

Lopes, Daisiane M.; Mombach, José C. M.

2017-12-01

A droplet of a liquid deposited on a surface structured in pillars may have two states of wetting: (1) Cassie-Baxter (CB), the liquid remains on top of the pillars, also known as heterogeneous wetting, or (2) Wenzel, the liquid fills completely the cavities of the surface, also known as homogeneous wetting. Studies show that between these two states, there is an energy barrier that, when overcome, results in the transition of states. The transition can be achieved by changes in geometry parameters of the surface, by vibrations of the surface or by evaporation of the liquid. In this paper, we present a comparison of two-dimensional simulations of the Cassie-Wenzel transition on pillar-structured surfaces using the cellular Potts model (CPM) with studies performed by Shahraz et al. In our work, we determine a transition diagram by varying the surface parameters such as the interpillar distance ( G) and the pillar height ( H). Our results were compared to those obtained by Shahraz et al. obtaining good agreement.

Economic Growth Models Transition

Directory of Open Access Journals (Sweden)

Coralia Angelescu

2006-03-01

Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

Economic Growth Models Transition

Directory of Open Access Journals (Sweden)

Coralia Angelescu

2006-01-01

Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

UP-DOWN cortical dynamics reflect state transitions in a bistable network.

Science.gov (United States)

Jercog, Daniel; Roxin, Alex; Barthó, Peter; Luczak, Artur; Compte, Albert; de la Rocha, Jaime

2017-08-04

In the idling brain, neuronal circuits transition between periods of sustained firing (UP state) and quiescence (DOWN state), a pattern the mechanisms of which remain unclear. Here we analyzed spontaneous cortical population activity from anesthetized rats and found that UP and DOWN durations were highly variable and that population rates showed no significant decay during UP periods. We built a network rate model with excitatory (E) and inhibitory (I) populations exhibiting a novel bistable regime between a quiescent and an inhibition-stabilized state of arbitrarily low rate. Fluctuations triggered state transitions, while adaptation in E cells paradoxically caused a marginal decay of E-rate but a marked decay of I-rate in UP periods, a prediction that we validated experimentally. A spiking network implementation further predicted that DOWN-to-UP transitions must be caused by synchronous high-amplitude events. Our findings provide evidence of bistable cortical networks that exhibit non-rhythmic state transitions when the brain rests.

Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State

Directory of Open Access Journals (Sweden)

Vicente Martí-Centelles

2012-01-01

competitive oligomerization/polymerization processes yielding undesired oligomeric/polymeric byproducts. The effect of anions has also been included in the kinetic models, as they can act as catalytic templates in the transition state reducing and stabilizing the transition state. The corresponding differential equation systems for each kinetic model can be solved numerically. Through a comprehensive analysis of these results, it is possible to obtain a better understanding of the different parameters that are involved in the macrocyclization reaction mechanism and to develop strategies for the optimization of the desired processes.

A Semi-analytical Model for Wind-fed Black Hole High-mass X-Ray Binaries: State Transition Triggered by Magnetic Fields from the Companion Star

Energy Technology Data Exchange (ETDEWEB)

Yaji, Kentaro; Yamada, Shinya; Masai, Kuniaki [Department of Physics, Tokyo Metropolitan University, Minami-Osawa 1-1, Hachioji, Tokyo 192-0397 (Japan)

2017-10-01

We propose a mechanism of state transition in wind-fed black hole (BH) binaries (high-mass X-ray binaries) such as Cyg X-1 and LMC X-1. Modeling a line-driven stellar wind from the companion by two-dimensional hydrodynamical calculations, we investigate the processes of wind capture by, and accretion onto, the BH. We assume that the wind acceleration is terminated at the He ii ionization front because ions responsible for line-driven acceleration are ionized within the front, i.e., the He iii region. It is found that the mass accretion rate inferred from the luminosity is remarkably smaller than the capture rate. Considering the difference, we construct a model for the state transition based on the accretion flow being controlled by magnetorotational instability. The outer flow is torus-like, and plays an important role to trigger the transition. The model can explain why state transition does occur in Cyg X-1, while not in LMC X-1. Cyg X-1 exhibits a relatively low luminosity, and then the He ii ionization front is located and can move between the companion and BH, depending on its ionizing photon flux. On the other hand, LMC X-1 exhibits too high luminosity for the front to move considerably; the front is too close to the companion atmosphere. The model also predicts that each state of high-soft or low-hard would last fairly long because the luminosity depends weakly on the wind velocity. In the context of the model, the state transition is triggered by a fluctuation of the magnetic field when its amplitude becomes comparable to the field strength in the torus-like outer flow.

Transitions between states of labor-force participation among older Israelis

OpenAIRE

Achdut, Leah; Tur-Sinai, Aviad; Troitsky, Rita

2014-01-01

The study examines the labor-force behavior of Israelis at older ages, focusing on the determinants of the transitions between states of labor-force participation between 2005 and 2010. The study uses panel data from the first two waves of the SHARE-Israel longitudinal survey. A multinomial logit model is used to examine the impact of sociodemographic characteristics, health state, and economic resources on labor-force transitions of people aged 50–67. The results emphasize the role of age an...

A state-and-transition simulation modeling approach for estimating the historical range of variability

Directory of Open Access Journals (Sweden)

Kori Blankenship

2015-04-01

Full Text Available Reference ecological conditions offer important context for land managers as they assess the condition of their landscapes and provide benchmarks for desired future conditions. State-and-transition simulation models (STSMs are commonly used to estimate reference conditions that can be used to evaluate current ecosystem conditions and to guide land management decisions and activities. The LANDFIRE program created more than 1,000 STSMs and used them to assess departure from a mean reference value for ecosystems in the United States. While the mean provides a useful benchmark, land managers and researchers are often interested in the range of variability around the mean. This range, frequently referred to as the historical range of variability (HRV, offers model users improved understanding of ecosystem function, more information with which to evaluate ecosystem change and potentially greater flexibility in management options. We developed a method for using LANDFIRE STSMs to estimate the HRV around the mean reference condition for each model state in ecosystems by varying the fire probabilities. The approach is flexible and can be adapted for use in a variety of ecosystems. HRV analysis can be combined with other information to help guide complex land management decisions.

Charge states of ions, and mechanisms of charge ordering transitions

Science.gov (United States)

Pickett, Warren E.; Quan, Yundi; Pardo, Victor

2014-07-01

To gain insight into the mechanism of charge ordering transitions, which conventionally are pictured as a disproportionation of an ion M as 2Mn+→M(n+1)+ + M(n-1)+, we (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new results for the putative charge ordering compound AgNiO2 and the dual charge state insulator AgO, and (3) analyze the cationic occupations of the actual (not formal) charge, and work to reconcile the conundrums that arise. We establish that several of the clearest cases of charge ordering transitions involve no disproportion (no charge transfer between the cations, and hence no charge ordering), and that the experimental data used to support charge ordering can be accounted for within density functional-based calculations that contain no charge transfer between cations. We propose that the charge state picture retains meaning and importance, at least in many cases, if one focuses on Wannier functions rather than atomic orbitals. The challenge of modeling charge ordering transitions with model Hamiltonians isdiscussed.

Chaotic Dynamics Mediates Brain State Transitions, Driven by Changes in Extracellular Ion Concentrations

DEFF Research Database (Denmark)

Rasmussen, Rune; H. Jensen, Mogens; L. Heltberg, Mathias

2017-01-01

Previous studies have suggested that changes in extracellular ion concentrations initiate the transition from an activity state that characterizes sleep in cortical neurons to states that characterize wakeful- ness. However, because neuronal activity and extra- cellular ion concentrations...... are interdependent, isolating their unique roles during sleep-wake transitions is not possible in vivo. Here, we extend the Averaged-Neuron model and demonstrate that, although changes in extracellular ion concentrations occur concurrently, decreasing the conductance of calcium-dependent potassium channels initiates...... the transition from sleep to wakefulness. We find that sleep is governed by stable, self-sustained oscillations in neuronal firing patterns, whereas the quiet awake state and active awake state are both governed by irregular oscillations and chaotic dynamics; transitions between these separable awake states...

State-Transition-Aware Spilling Heuristic for MLC STT-RAM-Based Registers

Directory of Open Access Journals (Sweden)

Yuanhui Ni

2017-01-01

Full Text Available Multilevel Cell Spin-Transfer Torque Random Access Memory (MLC STT-RAM is a promising nonvolatile memory technology to build registers for its natural immunity to electromagnetic radiation in rad-hard space environment. Unlike traditional SRAM-based registers, MLC STT-RAM exhibits unbalanced write state transitions due to the fact that the magnetization directions of hard and soft domains cannot be flipped independently. This feature leads to nonuniform costs of write states in terms of latency and energy. However, current SRAM-targeting register allocations do not have a clear understanding of the impact of the different write state-transition costs. As a result, those approaches heuristically select variables to be spilled without considering the spilling priority imposed by MLC STT-RAM. Aiming to address this limitation, this paper proposes a state-transition-aware spilling cost minimization (SSCM policy, to save power when MLC STT-RAM is employed in register design. Specifically, the spilling cost model is first constructed according to the linear combination of different state-transition frequencies. Directed by the proposed cost model, the compiler picks up spilling candidates to achieve lower power and higher performance. Experimental results show that the proposed SSCM technique can save energy by 19.4% and improve the lifetime by 23.2% of MLC STT-RAM-based register design.

Spin dependence of intra-ground-state-band E2 transitions in the SU(3) limit of the sdg interacting boson model

Science.gov (United States)

Long, G. L.; Ji, H. Y.

1998-04-01

B(E2, L+2-->L) transitions in the sdg interacting boson model SU(3) limit are studied with a general E2 transition operator. Analytical expressions are obtained using a group theoretic method. It is found that when using transition operators of the form (d†g~+g†d~)2 or (g†g~)2, the B(E2, L+2-->L) values in the ground-state band have an L(L+3) dependent term. As L increases, the B(E2) values can be larger than the rigid rotor model value. Application to 236,238U is discussed.

Linking ecosystem services with state-and-transition models to evaluate rangeland management decisions

Science.gov (United States)

Lohani, S.; Heilman, P.; deSteiguer, J. E.; Guertin, D. P.; Wissler, C.; McClaran, M. P.

2014-12-01

Quantifying ecosystem services is a crucial topic for land management decision making. However, market prices are usually not able to capture all the ecosystem services and disservices. Ecosystem services from rangelands, that cover 70% of the world's land area, are even less well-understood since knowledge of rangelands is limited. This study generated a management framework for rangelands that uses remote sensing to generate state and transition models (STMs) for a large area and a linear programming (LP) model that uses ecosystem services to evaluate natural and/or management induced transitions as described in the STM. The LP optimization model determines the best management plan for a plot of semi-arid land in the Empire Ranch in southeastern Arizona. The model allocated land among management activities (do nothing, grazing, fire, and brush removal) to optimize net benefits and determined the impact of monetizing environmental services and disservices on net benefits, acreage allocation and production output. The ecosystem services under study were forage production (AUM/ac/yr), sediment (lbs/ac/yr), water runoff (inches/yr), soil loss (lbs/ac/yr) and recreation (thousands of number of visitors/ac/yr). The optimization model was run for three different scenarios - private rancher, public rancher including environmental services and excluding disservices, and public rancher including both services and disservices. The net benefit was the highest for the public rancher excluding the disservices. A result from the study is a constrained optimization model that incorporates ecosystem services to analyze investments on conservation and management activities. Rangeland managers can use this model to understand and explain, not prescribe, the tradeoffs of management investments.

Characteristics of the Mott transition and electronic states of high-temperature cuprate superconductors from the perspective of the Hubbard model

Science.gov (United States)

Kohno, Masanori

2018-04-01

A fundamental issue of the Mott transition is how electrons behaving as single particles carrying spin and charge in a metal change into those exhibiting separated spin and charge excitations (low-energy spin excitation and high-energy charge excitation) in a Mott insulator. This issue has attracted considerable attention particularly in relation to high-temperature cuprate superconductors, which exhibit electronic states near the Mott transition that are difficult to explain in conventional pictures. Here, from a new viewpoint of the Mott transition based on analyses of the Hubbard model, we review anomalous features observed in high-temperature cuprate superconductors near the Mott transition.

Density induced phase transitions in the Schwinger model. A study with matrix product states

Energy Technology Data Exchange (ETDEWEB)

Banuls, Mari Carmen; Cirac, J. Ignacio; Kuehn, Stefan [Max-Planck-Institut fuer Quantenoptik (MPQ), Garching (Germany); Cichy, Krzysztof [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik; Adam Mickiewicz Univ., Poznan (Poland). Faculty of Physics; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

2017-02-15

We numerically study the zero temperature phase structure of the multiflavor Schwinger model at nonzero chemical potential. Using matrix product states, we reproduce analytical results for the phase structure for two flavors in the massless case and extend the computation to the massive case, where no analytical predictions are available. Our calculations allow us to locate phase transitions in the mass-chemical potential plane with great precision and provide a concrete example of tensor networks overcoming the sign problem in a lattice gauge theory calculation.

Transition State Gauche Effects Control the Torquoselectivities of the Electrocyclizations of Chiral 1-Azatrienes.

Science.gov (United States)

Patel, Ashay; Vella, Joseph R; Ma, Zhi-Xiong; Hsung, R P; Houk, K N

2015-12-04

Hsung et al. have reported a series of torquoselective electrocyclizations of chiral 1-azahexa-1E,3Z,5E-trienes that yield functionalized dihydropyridines. To understand the origins of the torquoselectivities of these azaelectrocyclizations, we modeled these electrocyclic ring closures using the M06-2X density functional. A new stereochemical model that rationalizes the observed 1,2 stereoinduction emerges from these computations. This model is an improvement and generalization of the "inside-alkoxy" model used to rationalize stereoselectivities of the 1,3-dipolar cycloaddition of chiral allyl ethers and emphasizes a stabilizing hyperconjugative effect, which we have termed a transition state gauche effect. This stereoelectronic effect controls the conformational preferences at the electrocyclization transition states, and only in one of the allowed disrotatory electrocyclization transition states is the ideal stereoelectronic arrangement achieved without the introduction of a steric clash. Computational experiments confirm the role of this effect as a stereodeterminant since substrates with electropositive groups and electronegative groups have different conformational preferences at the transition state and undergo ring closure with divergent stereochemical outcomes. This predicted reversal of stereoselectivity for the ring closures of several silyl substituted azatrienes have been demonstrated experimentally.

State transitions, hysteresis, and control parameters on DIII-D

International Nuclear Information System (INIS)

Thomas, D.M.; Groebner, R.J.; Carlstrom, T.N.; Osborne, T.H.; Petrie, T.W.

1998-07-01

The theory of turbulence decorrelation by ExB velocity shear is the leading candidate to explain the changes in turbulence and transport that are seen at the plasma edge at the L to H transition. Based on this, a key question is: What are the conditions or control parameters needed to begin the formation of the E r shear layer and thus trigger the L to H transition? On the DIII-D tokamak, the authors are attacking this question both through direct tests of the various theories and by trying to gain insight into the fundamental physics by investigating the control parameters which have a major effect on the power threshold. In this paper the authors describe results of studies on oscillating discharges where the plasma transitions continuously between L and H states. By following the dynamics of the plasma state through the forward and back transitions, they can represent the evolution of various control parameter candidates as a trajectory in various parametric spaces. The shape of these control curves can illustrate the specific nonlinearities governing the L-H transition problem, and under the proper conditions may be interpreted in the context of various phase-transition based models. In particular, the hysteresis exhibited in the various curves may help to clarify causality (what are the critical parameters) and may serve as tests of the models, given sufficient experimental accuracy. At present they are looking at T e , E r and ballooning/diamagnetic parameters as possible control parameter candidates

State transitions in the 2001/2002 outburst of XTE J1650-500

International Nuclear Information System (INIS)

Rossi, S.; Homan, J.; Miller, J.M.; Belloni, T.

2004-01-01

We present a study of the X-ray transient and black hole candidate XTE J1650-500 during its 2001/2002 outburst. The source made two state transitions between the hard and soft states, at luminosity levels that differ by a factor of ∼5-10. The first transition, between hard and soft, lasted for ∼30 days and showed two parts; one part in which the spectral properties evolve smoothly away from the hard state and another that we identify as the 'steep power law state'. The two parts showed different behavior of the Fe K emission line and QPO frequencies. The second transition, from soft to hard, lasted only ∼15 days and showed no evidence of the presence of the 'steep power law state'. Comparing observations from the early rise and the decay of the outburst, we conclude that the source can be in the hard state in a range of more than 10 4 in luminosity. We briefly discuss the state transitions in the framework of a two-flow model

Gamma transitions between compound states in spherical nuclei

International Nuclear Information System (INIS)

Kadmenskij, S.G.; Markushev, V.P.; Furman, V.I.

1980-01-01

Average values of the reduced γ widths and their dispersions are investigated, basing on the Wigner statistical matrix method, for γ transitions from a compound state c into a less-energy excited state f of an arbitrary complexity in spherical nuclei. It is shown that in all the cases of practical interest the Porter-Thomas distribution is valid for the γ widths. It is found that in the γ transitions between compound states c and c' with Esub(γ) <= 2 MeV the dominating role is played by the M1 transitions due to the main multiquasiparticle states of c, and by the E1 transitions, due to small components of the state c. In framework of the existent theoretical schemes it is shown that the strength functions of the M1 and E1 transitions between the compound states with Esub(γ) <2 MeV are close. It is deduced thet the variant of the M1 transitions is preferable in view of the experimental results on the (n, γα) reactions induced by thermal and resonance neutrons

Causal role of thalamic interneurons on brain state transitions: a study using a neural mass model implementing synaptic kinetics

Directory of Open Access Journals (Sweden)

Basabdatta Sen Bhattacharya

2016-11-01

Full Text Available Experimental studies on the Lateral Geniculate Nucleus (LGN of mammals and rodents show that the inhibitory interneurons (IN receive around 47.1% of their afferents from the retinal spiking neurons, and constitute around 20 - 25% of the LGN cell population. However, there is a definite gap in knowledge about the role and impact of IN on thalamocortical dynamics in both experimental and model-based research. We use a neural mass computational model of the LGN with three neural populations viz. IN, thalamocortical relay (TCR, thalamic reticular nucleus (TRN, to study the causality of IN on LGN oscillations and state-transitions. The synaptic information transmission in the model is implemented with kinetic modelling, facilitating the linking of low-level cellular attributes with high-level population dynamics. The model is parameterised and tuned to simulate both Local Field Potential (LFP of LGN and electroencephalogram (EEG of visual cortex in an awake resting state with eyes closed and dominant frequency within the alpha (8-13 Hz band. The results show that: First, the response of the TRN is suppressed in the presence of IN in the circuit; disconnecting the IN from the circuit effects a dramatic change in the model output, displaying high amplitude synchronous oscillations within the alpha band in both TCR and TRN. These observations conform to experimental reports implicating the IN as the primary inhibitory modulator of LGN dynamics in a cognitive state, and that reduced cognition is achieved by suppressing the TRN response. Second, the model validates steady state visually evoked potential response in humans corresponding to periodic input stimuli; however, when the IN is disconnected from the circuit, the output power spectra do not reflect the input frequency. This agrees with experimental reports underpinning the role of IN in efficient retino-geniculate information transmission. Third, a smooth transition from alpha to theta band is

M1 transitions between low-lying states in the sdg-IBM-2

Science.gov (United States)

Casperson, Robert; Werner, Volker

2006-10-01

The interplay between collective and single-particle degrees of freedom for nuclei in the A=90 region have recently been under investigation. In Molybdenum and Ruthenium nuclei, collective symmetric and mixed-symmetric structures have been identified, while in Zirconium, underlying shell-structure plays an enhanced role. Collective symmetric structures appear when protons and neutrons are in phase, whereas mixed-symmetric structures occur when they are not. The one-phonon 2^+ mixed-symmetric state was identified from strong M1 transitions to the 2^+1 state. Similar transitions were observed between higher-spin states, and are predicted by the shell model. These phenomena will be investigated within the sdg Interacting Boson Model 2 in order to obtain a better understanding about the structure of the states involved, and results from first model calculations will be presented. Work supported by US DOE under grant number DE-FG02-91ER-40609.

Effects of ignoring baseline on modeling transitions from intact cognition to dementia.

Science.gov (United States)

Yu, Lei; Tyas, Suzanne L; Snowdon, David A; Kryscio, Richard J

2009-07-01

This paper evaluates the effect of ignoring baseline when modeling transitions from intact cognition to dementia with mild cognitive impairment (MCI) and global impairment (GI) as intervening cognitive states. Transitions among states are modeled by a discrete-time Markov chain having three transient (intact cognition, MCI, and GI) and two competing absorbing states (death and dementia). Transition probabilities depend on two covariates, age and the presence/absence of an apolipoprotein E-epsilon4 allele, through a multinomial logistic model with shared random effects. Results are illustrated with an application to the Nun Study, a cohort of 678 participants 75+ years of age at baseline and followed longitudinally with up to ten cognitive assessments per nun.

Transition sum rules in the shell model

Science.gov (United States)

Lu, Yi; Johnson, Calvin W.

2018-03-01

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy-weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, which in the case of the EWSR is a double commutator. While most prior applications of the double commutator have been to special cases, we derive general formulas for matrix elements of both operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We apply this simple tool to a number of nuclides and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E 1 ) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground-state electric quadrupole (E 2 ) centroids in the s d shell.

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

International Nuclear Information System (INIS)

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

2015-01-01

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. (paper)

Charge-changing transitions in an extended Lipkin-type model

International Nuclear Information System (INIS)

Mihut, I.; Stoica, S.; Suhonen, J.

1997-01-01

Charge-changing transition are considered in an extended Lipkin-Meshkov-Glick (LMG) model taking into account explicitly the proton and neutron degrees of freedom. The proton and neutron Hamiltonians are taken to be of the LMG form and in addition, a residual proton-neutron interaction is included. Model charge-changing operators and their action on eigenfunctions of the model Hamiltonian are defined. Transition amplitudes of these operators are calculated using exact eigenfunctions and then the RPA approximation. The best agreement between the two kinds of calculations was obtained when the correlated RPA ground state, instead of the uncorrelated HF ground state, is employed and when the proton-neutron residual interaction besides the proton-proton and neutron-neutron residual interactions is taken into account in the model Hamiltonian

Quantum phase transitions between a class of symmetry protected topological states

Energy Technology Data Exchange (ETDEWEB)

Tsui, Lokman; Jiang, Hong-Chen; Lu, Yuan-Ming; Lee, Dung-Hai

2015-07-01

The subject of this paper is the phase transition between symmetry protected topological states (SPTs). We consider spatial dimension d and symmetry group G so that the cohomology group, Hd+1(G,U(1)), contains at least one Z2n or Z factor. We show that the phase transition between the trivial SPT and the root states that generate the Z2n or Z groups can be induced on the boundary of a (d+1)-dimensional View the MathML source-symmetric SPT by a View the MathML source symmetry breaking field. Moreover we show these boundary phase transitions can be “transplanted” to d dimensions and realized in lattice models as a function of a tuning parameter. The price one pays is for the critical value of the tuning parameter there is an extra non-local (duality-like) symmetry. In the case where the phase transition is continuous, our theory predicts the presence of unusual (sometimes fractionalized) excitations corresponding to delocalized boundary excitations of the non-trivial SPT on one side of the transition. This theory also predicts other phase transition scenarios including first order transition and transition via an intermediate symmetry breaking phase.

Ab initio modelling of transition metals in diamond

International Nuclear Information System (INIS)

Watkins, M; Mainwood, A

2003-01-01

Transition metals (TM) from the first transition series are commonly used as solvent catalysts in the synthesis of diamond by high pressure, high temperature processes. Ab initio calculations on these metals, in finite clusters of tetrahedrally coordinated carbon, enable us to investigate trends in their stability and properties. By carrying out systematic studies of interstitial, substitutional and semi-vacancy TM defects, we show that the electronic structure of the TMs is complicated by the presence of 'dangling bonds' when the TM disrupts the crystal lattice: interstitial defects conform to the Ludwig-Woodbury (LW) model, whilst substitutional and semi-vacancy defects move from approximating the LW model early in the transition series to approaching the vacancy model for the heavier metals. Multi-configurational self-consistent field methods allow genuine many-electron states to be modelled; for neutral interstitial, and all substitutional TMs, the crystal fields are found to exceed the exchange energies in strength. Consequently, low spin states are found for these defects. We find substitutional defects to be the most stable, but that semi-vacancy TMs are very similar in energy to the substitutional defects late in the transition series; interstitial defects are only metastable in diamond. Given appropriate charge compensators neutral and positively charged interstitial TM defects were stable, while negatively charged species appeared to be strongly disfavoured

Hierarchical Colored Petri Nets for Modeling and Analysis of Transit Signal Priority Control Systems

Directory of Open Access Journals (Sweden)

Yisheng An

2018-01-01

Full Text Available In this paper, we consider the problem of developing a model for traffic signal control with transit priority using Hierarchical Colored Petri nets (HCPN. Petri nets (PN are useful for state analysis of discrete event systems due to their powerful modeling capability and mathematical formalism. This paper focuses on their use to formalize the transit signal priority (TSP control model. In a four-phase traffic signal control model, the transit detection and two kinds of transit priority strategies are integrated to obtain the HCPN-based TSP control models. One of the advantages to use these models is the clear presentation of traffic light behaviors in terms of conditions and events that cause the detection of a priority request by a transit vehicle. Another advantage of the resulting models is that the correctness and reliability of the proposed strategies are easily analyzed. After their full reachable states are generated, the boundness, liveness, and fairness of the proposed models are verified. Experimental results show that the proposed control model provides transit vehicles with better effectiveness at intersections. This work helps advance the state of the art in the design of signal control models related to the intersection of roadways.

Structure of states and reduced probabilities of electromagnetic transitions in 169Yb

International Nuclear Information System (INIS)

Bonch-Osmolovskaya, N.A.; Morozov, V.A.; Khudajberdyev, Eh.N.

1988-01-01

The effect of accounting the Pauli principle on the structure and energy of nonrotational states of 169 Yb deformed nucleus as well as on reduced probabilities of E2-transitions B(E2) is studied within the framework of the quasiparticle-phonon model (QPM). The amplitudes of states mixing due to Coriolis interaction and reduced probabilities of gamma transition within the framework of nonadiabatic rotation model are also calculated. The results are compared with calculations made within QPM with account of Coriolis interaction but excluding the Pauli principle in the wave state function. It is shown that to describe correctly both the level structure and reduced probabilities B(E2) it is necessary to include all types of interaction : quasiparticle interaction with phonons with account of the Pauli principle in the wave state functions and Coriolis interactions. Now no uniform theoretical approach exists

Heat capacity for systems with excited-state quantum phase transitions

Energy Technology Data Exchange (ETDEWEB)

Cejnar, Pavel; Stránský, Pavel, E-mail: stransky@ipnp.troja.mff.cuni.cz

2017-03-18

Heat capacities of model systems with finite numbers of effective degrees of freedom are evaluated using canonical and microcanonical thermodynamics. Discrepancies between both approaches, which are observed even in the infinite-size limit, are particularly large in systems that exhibit an excited-state quantum phase transition. The corresponding irregularity of the spectrum generates a singularity in the microcanonical heat capacity and affects smoothly the canonical heat capacity. - Highlights: • Thermodynamics of systems with excited-state quantum phase transitions • ESQPT-generated singularities of the microcanonical heat capacity • Non-monotonous dependences of the canonical heat capacity • Discord between canonical and microcanonical pictures in the infinite-size limit.

Magnetic states, correlation effects and metal-insulator transition in FCC lattice

Science.gov (United States)

Timirgazin, M. A.; Igoshev, P. A.; Arzhnikov, A. K.; Irkhin, V. Yu

2016-12-01

The ground-state magnetic phase diagram (including collinear and spiral states) of the single-band Hubbard model for the face-centered cubic lattice and related metal-insulator transition (MIT) are investigated within the slave-boson approach by Kotliar and Ruckenstein. The correlation-induced electron spectrum narrowing and a comparison with a generalized Hartree-Fock approximation allow one to estimate the strength of correlation effects. This, as well as the MIT scenario, depends dramatically on the ratio of the next-nearest and nearest electron hopping integrals {{t}\\prime}/t . In contrast with metallic state, possessing substantial band narrowing, insulator one is only weakly correlated. The magnetic (Slater) scenario of MIT is found to be superior over the Mott one. Unlike simple and body-centered cubic lattices, MIT is the first order transition (discontinuous) for most {{t}\\prime}/t . The insulator state is type-II or type-III antiferromagnet, and the metallic state is spin-spiral, collinear antiferromagnet or paramagnet depending on {{t}\\prime}/t . The picture of magnetic ordering is compared with that in the standard localized-electron (Heisenberg) model.

Core-state models for fuel management of equilibrium and transition cycles in pressurized water reactors

International Nuclear Information System (INIS)

Aragones, J.M.; Martinez-Val, J.M.; Corella, M.R.

1977-01-01

Fuel management requires that mass, energy, and reactivity balance be satisfied in each reload cycle. Procedures for selection of alternatives, core-state models, and fuel cost calculations have been developed for both equilibrium and transition cycles. Effective cycle lengths and fuel cycle variables--namely, reload batch size, schedule of incore residence for the fuel, feed enrichments, energy sharing cycle by cycle, and discharge burnup and isotopics--are the variables being considered for fuel management planning with a given energy generation plan, fuel design, recycling strategy, and financial assumptions

Transitions across cognitive states and death among older adults in relation to education: A multistate survival model using data from six longitudinal studies.

Science.gov (United States)

Robitaille, Annie; van den Hout, Ardo; Machado, Robson J M; Bennett, David A; Čukić, Iva; Deary, Ian J; Hofer, Scott M; Hoogendijk, Emiel O; Huisman, Martijn; Johansson, Boo; Koval, Andriy V; van der Noordt, Maaike; Piccinin, Andrea M; Rijnhart, Judith J M; Singh-Manoux, Archana; Skoog, Johan; Skoog, Ingmar; Starr, John; Vermunt, Lisa; Clouston, Sean; Muniz Terrera, Graciela

2018-04-01

This study examines the role of educational attainment, an indicator of cognitive reserve, on transitions in later life between cognitive states (normal Mini-Mental State Examination (MMSE), mild MMSE impairment, and severe MMSE impairment) and death. Analysis of six international longitudinal studies was performed using a coordinated approach. Multistate survival models were used to estimate the transition patterns via different cognitive states. Life expectancies were estimated. Across most studies, a higher level of education was associated with a lower risk of transitioning from normal MMSE to mild MMSE impairment but was not associated with other transitions. Those with higher levels of education and socioeconomic status had longer nonimpaired life expectancies. This study highlights the importance of education in later life and that early life experiences can delay later compromised cognitive health. This study also demonstrates the feasibility and benefit in conducting coordinated analysis across multiple studies to validate findings. Copyright © 2017 the Alzheimer's Association. Published by Elsevier Inc. All rights reserved.

Dislocation dynamics modelling of the ductile-brittle-transition

International Nuclear Information System (INIS)

Hennecke, Thomas; Haehner, Peter

2009-01-01

Many materials like silicon, tungsten or ferritic steels show a transition between high temperature ductile fracture with stable crack grow and high deformation energy absorption and low temperature brittle fracture in an unstable and low deformation mode, the ductile-brittle-transition. Especially in steels, the temperature transition is accompanied by a strong increase of the measured fracture toughness over a certain temperature range and strong scatter in the toughness data in this transition regime. The change in fracture modes is affected by dynamic interactions between dislocations and the inhomogeneous stress fields of notches and small cracks. In the present work a dislocation dynamics model for the ductile-brittle-transition is proposed, which takes those interactions into account. The model can explain an increase with temperature of apparent toughness in the quasi-brittle regime and different levels of scatter in the different temperature regimes. Furthermore it can predict changing failure sites in materials with heterogeneous microstructure. Based on the model, the effects of crack tip blunting, stress state, external strain rate and irradiation-induced changes in the plastic flow properties can be discussed.

Toward the Darwinian transition: Switching between distributed and speciated states in a simple model of early life.

Science.gov (United States)

Arnoldt, Hinrich; Strogatz, Steven H; Timme, Marc

2015-01-01

It has been hypothesized that in the era just before the last universal common ancestor emerged, life on earth was fundamentally collective. Ancient life forms shared their genetic material freely through massive horizontal gene transfer (HGT). At a certain point, however, life made a transition to the modern era of individuality and vertical descent. Here we present a minimal model for stochastic processes potentially contributing to this hypothesized "Darwinian transition." The model suggests that HGT-dominated dynamics may have been intermittently interrupted by selection-driven processes during which genotypes became fitter and decreased their inclination toward HGT. Stochastic switching in the population dynamics with three-point (hypernetwork) interactions may have destabilized the HGT-dominated collective state and essentially contributed to the emergence of vertical descent and the first well-defined species in early evolution. A systematic nonlinear analysis of the stochastic model dynamics covering key features of evolutionary processes (such as selection, mutation, drift and HGT) supports this view. Our findings thus suggest a viable direction out of early collective evolution, potentially enabling the start of individuality and vertical Darwinian evolution.

A Semi-Continuous State-Transition Probability HMM-Based Voice Activity Detector

Directory of Open Access Journals (Sweden)

H. Othman

2007-02-01

Full Text Available We introduce an efficient hidden Markov model-based voice activity detection (VAD algorithm with time-variant state-transition probabilities in the underlying Markov chain. The transition probabilities vary in an exponential charge/discharge scheme and are softly merged with state conditional likelihood into a final VAD decision. Working in the domain of ITU-T G.729 parameters, with no additional cost for feature extraction, the proposed algorithm significantly outperforms G.729 Annex B VAD while providing a balanced tradeoff between clipping and false detection errors. The performance compares very favorably with the adaptive multirate VAD, option 2 (AMR2.

A Semi-Continuous State-Transition Probability HMM-Based Voice Activity Detector

Directory of Open Access Journals (Sweden)

Othman H

2007-01-01

Full Text Available We introduce an efficient hidden Markov model-based voice activity detection (VAD algorithm with time-variant state-transition probabilities in the underlying Markov chain. The transition probabilities vary in an exponential charge/discharge scheme and are softly merged with state conditional likelihood into a final VAD decision. Working in the domain of ITU-T G.729 parameters, with no additional cost for feature extraction, the proposed algorithm significantly outperforms G.729 Annex B VAD while providing a balanced tradeoff between clipping and false detection errors. The performance compares very favorably with the adaptive multirate VAD, option 2 (AMR2.

Collective models of transition nuclei Pt. 2

International Nuclear Information System (INIS)

Dombradi, Zs.

1982-01-01

The models describing the even-odd and odd-odd transition nuclei (nuclei of moderate ground state deformation) are reviewed. The nuclear core is described by models of even-even nuclei, and the interaction of a single particle and the core is added. Different models of particle-core coupling (phenomenological models, collective models, nuclear field theory, interacting boson-fermion model, vibration nucleon cluster model) and their results are discussed. New developments like dynamical supersymmetry and new research trends are summarized. (D.Gy.)

Modeling of charge-transfer transitions and excited states in d6 transition metal complexes by DFT techniques

Czech Academy of Sciences Publication Activity Database

Vlček, Antonín; Záliš, Stanislav

2007-01-01

Roč. 251, 3-4 (2007), s. 258-287 ISSN 0010-8545 R&D Projects: GA MŠk 1P05OC068; GA MŠk OC 139 Institutional research plan: CEZ:AV0Z40400503 Keywords : charge-transfer transition * DFT technique * excited states * spectroscopy Subject RIV: CG - Electrochemistry Impact factor: 8.568, year: 2007

Degenerate ground states and multiple bifurcations in a two-dimensional q-state quantum Potts model.

Science.gov (United States)

Dai, Yan-Wei; Cho, Sam Young; Batchelor, Murray T; Zhou, Huan-Qiang

2014-06-01

We numerically investigate the two-dimensional q-state quantum Potts model on the infinite square lattice by using the infinite projected entangled-pair state (iPEPS) algorithm. We show that the quantum fidelity, defined as an overlap measurement between an arbitrary reference state and the iPEPS ground state of the system, can detect q-fold degenerate ground states for the Z_{q} broken-symmetry phase. Accordingly, a multiple bifurcation of the quantum ground-state fidelity is shown to occur as the transverse magnetic field varies from the symmetry phase to the broken-symmetry phase, which means that a multiple-bifurcation point corresponds to a critical point. A (dis)continuous behavior of quantum fidelity at phase transition points characterizes a (dis)continuous phase transition. Similar to the characteristic behavior of the quantum fidelity, the magnetizations, as order parameters, obtained from the degenerate ground states exhibit multiple bifurcation at critical points. Each order parameter is also explicitly demonstrated to transform under the Z_{q} subgroup of the symmetry group of the Hamiltonian. We find that the q-state quantum Potts model on the square lattice undergoes a discontinuous (first-order) phase transition for q=3 and q=4 and a continuous phase transition for q=2 (the two-dimensional quantum transverse Ising model).

Fluctuating States: What is the Probability of a Thermodynamical Transition?

Directory of Open Access Journals (Sweden)

Álvaro M. Alhambra

2016-10-01

Full Text Available If the second law of thermodynamics forbids a transition from one state to another, then it is still possible to make the transition happen by using a sufficient amount of work. But if we do not have access to this amount of work, can the transition happen probabilistically? In the thermodynamic limit, this probability tends to zero, but here we find that for finite-sized and quantum systems it can be finite. We compute the maximum probability of a transition or a thermodynamical fluctuation from any initial state to any final state and show that this maximum can be achieved for any final state that is block diagonal in the energy eigenbasis. We also find upper and lower bounds on this transition probability, in terms of the work of transition. As a by-product, we introduce a finite set of thermodynamical monotones related to the thermomajorization criteria which governs state transitions and compute the work of transition in terms of them. The trade-off between the probability of a transition and any partial work added to aid in that transition is also considered. Our results have applications in entanglement theory, and we find the amount of entanglement required (or gained when transforming one pure entangled state into any other.

Vibrational nonadiabaticity and tunneling effects in transition state theory

International Nuclear Information System (INIS)

Marcus, R.A.

1979-01-01

The usual quantum mechanical derivation of transition state theory is a statistical one (a quasi-equilibrium is assumed) or dynamical. The typical dynamical one defines a set of internal states and assumes vibrational adiabaticity. Effects of nonadiabaticity before and after the transition state are included in the present derivation, assuming a classical treatment of the reaction coordinate. The relation to a dynamical derivation of classical mechanical transition state theory is described, and tunneling effects are considered

State Transitions in Semiarid Landscapes

Science.gov (United States)

Phillips, J. D.

2012-04-01

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

Absorbing phase transitions in deterministic fixed-energy sandpile models

Science.gov (United States)

Park, Su-Chan

2018-03-01

We investigate the origin of the difference, which was noticed by Fey et al. [Phys. Rev. Lett. 104, 145703 (2010), 10.1103/PhysRevLett.104.145703], between the steady state density of an Abelian sandpile model (ASM) and the transition point of its corresponding deterministic fixed-energy sandpile model (DFES). Being deterministic, the configuration space of a DFES can be divided into two disjoint classes such that every configuration in one class should evolve into one of absorbing states, whereas no configurations in the other class can reach an absorbing state. Since the two classes are separated in terms of toppling dynamics, the system can be made to exhibit an absorbing phase transition (APT) at various points that depend on the initial probability distribution of the configurations. Furthermore, we show that in general the transition point also depends on whether an infinite-size limit is taken before or after the infinite-time limit. To demonstrate, we numerically study the two-dimensional DFES with Bak-Tang-Wiesenfeld toppling rule (BTW-FES). We confirm that there are indeed many thresholds. Nonetheless, the critical phenomena at various transition points are found to be universal. We furthermore discuss a microscopic absorbing phase transition, or a so-called spreading dynamics, of the BTW-FES, to find that the phase transition in this setting is related to the dynamical isotropic percolation process rather than self-organized criticality. In particular, we argue that choosing recurrent configurations of the corresponding ASM as an initial configuration does not allow for a nontrivial APT in the DFES.

State transition storyboards: A tool for designing the Goldstone solar system radar data acquisition system user interface software

Science.gov (United States)

Howard, S. D.

1987-01-01

Effective user interface design in software systems is a complex task that takes place without adequate modeling tools. By combining state transition diagrams and the storyboard technique of filmmakers, State Transition Storyboards were developed to provide a detailed modeling technique for the Goldstone Solar System Radar Data Acquisition System human-machine interface. Illustrations are included with a description of the modeling technique.

Phase transitions and steady-state microstructures in a two-temperature lattice-gas model with mobile active impurities

DEFF Research Database (Denmark)

Henriksen, Jonas Rosager; Sabra, Mads Christian; Mouritsen, Ole G.

2000-01-01

The nonequilibrium, steady-state phase transitions and the structure of the different phases of a two-dimensional system with two thermodynamic temperatures are studied via a simple lattice-gas model with mobile active impurities ("hot/cold spots'') whose activity is controlled by an external drive...... on the temperatures, microstructured phases of both lamellar and droplet symmetry arise, described by a length scale that is determined by the characteristic temperature controlling the diffusive motion of the active impurities....

Localized-to-extended-states transition below the Fermi level

Science.gov (United States)

Tito, M. A.; Pusep, Yu. A.

2018-05-01

Time-resolved photoluminescence is employed to examine a transition from localized to extended electron states below the Fermi level in multiple narrow quantum well GaAs/AlGaAs heterostructures, where disorder was generated by interface roughness. Such a transition resembles the metal-insulator transition profoundly investigated by electric transport measurements. An important distinction distinguishes the localized-to-extended-states transition studied here: it takes place below the Fermi level in an electron system with a constant concentration, which implies unchanging Coulomb correlations. Moreover, for such a localized-to-extended-states transition the temperature is shown to be irrelevant. In the insulating regime the magnetic field was found to cause an additional momentum relaxation which considerably enhanced the recombination rate. Thus, we propose a method to explore the evolution of the localized electron states in a system with a fixed disorder and Coulomb interaction.

A Quantum Version of Wigner's Transition State Theory

NARCIS (Netherlands)

Schubert, R.; Waalkens, H.; Wiggins, S.

A quantum version of a recent realization of Wigner's transition state theory in phase space is presented. The theory developed builds on a quantum normal form which locally decouples the quantum dynamics near the transition state to any desired order in (h) over bar. This leads to an explicit

Chapter 3: Simulating fire hazard across landscapes through time: integrating state-and-transition models with the Fuel Characteristic Classification System

Science.gov (United States)

Jessica E. Halofsky; Stephanie K. Hart; Miles A. Hemstrom; Joshua S. Halofsky; Morris C. Johnson

2014-01-01

Information on the effects of management activities such as fuel reduction treatments and of processes such as vegetation growth and disturbance on fire hazard can help land managers prioritize treatments across a landscape to best meet management goals. State-and-transition models (STMs) allow landscape-scale simulations that incorporate effects of succession,...

Modelling Multivariate Autoregressive Conditional Heteroskedasticity with the Double Smooth Transition Conditional Correlation GARCH Model

DEFF Research Database (Denmark)

Silvennoinen, Annastiina; Teräsvirta, Timo

In this paper we propose a multivariate GARCH model with a time-varying conditional correlation structure. The new Double Smooth Transition Conditional Correlation GARCH model extends the Smooth Transition Conditional Correlation GARCH model of Silvennoinen and Ter¨asvirta (2005) by including...... another variable according to which the correlations change smoothly between states of constant correlations. A Lagrange multiplier test is derived to test the constancy of correlations against the DSTCC-GARCH model, and another one to test for another transition in the STCC-GARCH framework. In addition......, other specification tests, with the aim of aiding the model building procedure, are considered. Analytical expressions for the test statistics and the required derivatives are provided. The model is applied to a selection of world stock indices, and it is found that time is an important factor affecting...

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

Science.gov (United States)

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-12-23

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

Markov Transition Model to Dementia with Death as a Competing Event.

Science.gov (United States)

Wei, Shaoceng; Xu, Liou; Kryscio, Richard J

2014-12-01

This study evaluates the effect of death as a competing event to the development of dementia in a longitudinal study of the cognitive status of elderly subjects. A multi-state Markov model with three transient states: intact cognition, mild cognitive impairment (M.C.I.) and global impairment (G.I.) and one absorbing state: dementia is used to model the cognitive panel data; transitions among states depend on four covariates age, education, prior state (intact cognition, or M.C.I., or G.I.) and the presence/absence of an apolipoprotein E-4 allele (APOE4). A Weibull model and a Cox proportional hazards (Cox PH) model are used to fit the survival from death based on age at entry and the APOE4 status. A shared random effect correlates this survival time with the transition model. Simulation studies determine the sensitivity of the maximum likelihood estimates to the violations of the Weibull and Cox PH model assumptions. Results are illustrated with an application to the Nun Study, a longitudinal cohort of 672 participants 75+ years of age at baseline and followed longitudinally with up to ten cognitive assessments per nun.

Discovering Unique, Low-Energy Transition States Using Evolutionary Molecular Memetic Computing

DEFF Research Database (Denmark)

Ellabaan, Mostafa M Hashim; Ong, Y.S.; Handoko, S.D.

2013-01-01

In the last few decades, identification of transition states has experienced significant growth in research interests from various scientific communities. As per the transition states theory, reaction paths and landscape analysis as well as many thermodynamic properties of biochemical systems can...... be accurately identified through the transition states. Transition states describe the paths of molecular systems in transiting across stable states. In this article, we present the discovery of unique, low-energy transition states and showcase the efficacy of their identification using the memetic computing...... paradigm under a Molecular Memetic Computing (MMC) framework. In essence, the MMC is equipped with the tree-based representation of non-cyclic molecules and the covalent-bond-driven evolutionary operators, in addition to the typical backbone of memetic algorithms. Herein, we employ genetic algorithm...

Transitions in Prognostic Awareness Among Terminally Ill Cancer Patients in Their Last 6 Months of Life Examined by Multi-State Markov Modeling.

Science.gov (United States)

Hsiu Chen, Chen; Wen, Fur-Hsing; Hou, Ming-Mo; Hsieh, Chia-Hsun; Chou, Wen-Chi; Chen, Jen-Shi; Chang, Wen-Cheng; Tang, Siew Tzuh

2017-09-01

Developing accurate prognostic awareness, a cornerstone of preference-based end-of-life (EOL) care decision-making, is a dynamic process involving more prognostic-awareness states than knowing or not knowing. Understanding the transition probabilities and time spent in each prognostic-awareness state can help clinicians identify trigger points for facilitating transitions toward accurate prognostic awareness. We examined transition probabilities in distinct prognostic-awareness states between consecutive time points in 247 cancer patients' last 6 months and estimated the time spent in each state. Prognostic awareness was categorized into four states: (a) unknown and not wanting to know, state 1; (b) unknown but wanting to know, state 2; (c) inaccurate awareness, state 3; and (d) accurate awareness, state 4. Transitional probabilities were examined by multistate Markov modeling. Initially, 59.5% of patients had accurate prognostic awareness, whereas the probabilities of being in states 1-3 were 8.1%, 17.4%, and 15.0%, respectively. Patients' prognostic awareness generally remained unchanged (probabilities of remaining in the same state: 45.5%-92.9%). If prognostic awareness changed, it tended to shift toward higher prognostic-awareness states (probabilities of shifting to state 4 were 23.2%-36.6% for patients initially in states 1-3, followed by probabilities of shifting to state 3 for those in states 1 and 2 [9.8%-10.1%]). Patients were estimated to spend 1.29, 0.42, 0.68, and 3.61 months in states 1-4, respectively, in their last 6 months. Terminally ill cancer patients' prognostic awareness generally remained unchanged, with a tendency to become more aware of their prognosis. Health care professionals should facilitate patients' transitions toward accurate prognostic awareness in a timely manner to promote preference-based EOL decisions. Terminally ill Taiwanese cancer patients' prognostic awareness generally remained stable, with a tendency toward developing

Ising percolation in a three-state majority vote model

Energy Technology Data Exchange (ETDEWEB)

Balankin, Alexander S., E-mail: abalankin@ipn.mx [Grupo Mecánica Fractal, ESIME, Instituto Politécnico Nacional, México D.F., 07738 (Mexico); Martínez-Cruz, M.A.; Gayosso Martínez, Felipe [Grupo Mecánica Fractal, ESIME, Instituto Politécnico Nacional, México D.F., 07738 (Mexico); Mena, Baltasar [Laboratorio de Ingeniería y Procesos Costeros, Instituto de Ingeniería, Universidad Nacional Autónoma de México, Sisal, Yucatán, 97355 (Mexico); Tobon, Atalo; Patiño-Ortiz, Julián; Patiño-Ortiz, Miguel; Samayoa, Didier [Grupo Mecánica Fractal, ESIME, Instituto Politécnico Nacional, México D.F., 07738 (Mexico)

2017-02-05

Highlights: • Three-state non-consensus majority voter model is introduced. • Phase transition in the absorbing state non-consensus is revealed. • The percolation transition belongs to the universality class of Ising percolation. • The effect of an updating rule for a tie between voter neighbors is highlighted. - Abstract: In this Letter, we introduce a three-state majority vote model in which each voter adopts a state of a majority of its active neighbors, if exist, but the voter becomes uncommitted if its active neighbors are in a tie, or all neighbors are the uncommitted. Numerical simulations were performed on square lattices of different linear size with periodic boundary conditions. Starting from a random distribution of active voters, the model leads to a stable non-consensus state in which three opinions coexist. We found that the “magnetization” of the non-consensus state and the concentration of uncommitted voters in it are governed by an initial composition of system and are independent of the lattice size. Furthermore, we found that a configuration of the stable non-consensus state undergoes a second order percolation transition at a critical concentration of voters holding the same opinion. Numerical simulations suggest that this transition belongs to the same universality class as the Ising percolation. These findings highlight the effect of an updating rule for a tie between voter neighbors on the critical behavior of models obeying the majority vote rule whenever a strict majority exists.

Ising percolation in a three-state majority vote model

International Nuclear Information System (INIS)

Balankin, Alexander S.; Martínez-Cruz, M.A.; Gayosso Martínez, Felipe; Mena, Baltasar; Tobon, Atalo; Patiño-Ortiz, Julián; Patiño-Ortiz, Miguel; Samayoa, Didier

2017-01-01

Highlights: • Three-state non-consensus majority voter model is introduced. • Phase transition in the absorbing state non-consensus is revealed. • The percolation transition belongs to the universality class of Ising percolation. • The effect of an updating rule for a tie between voter neighbors is highlighted. - Abstract: In this Letter, we introduce a three-state majority vote model in which each voter adopts a state of a majority of its active neighbors, if exist, but the voter becomes uncommitted if its active neighbors are in a tie, or all neighbors are the uncommitted. Numerical simulations were performed on square lattices of different linear size with periodic boundary conditions. Starting from a random distribution of active voters, the model leads to a stable non-consensus state in which three opinions coexist. We found that the “magnetization” of the non-consensus state and the concentration of uncommitted voters in it are governed by an initial composition of system and are independent of the lattice size. Furthermore, we found that a configuration of the stable non-consensus state undergoes a second order percolation transition at a critical concentration of voters holding the same opinion. Numerical simulations suggest that this transition belongs to the same universality class as the Ising percolation. These findings highlight the effect of an updating rule for a tie between voter neighbors on the critical behavior of models obeying the majority vote rule whenever a strict majority exists.

Phase transition in a spatial Lotka-Volterra model

International Nuclear Information System (INIS)

Szabo, Gyorgy; Czaran, Tamas

2001-01-01

Spatial evolution is investigated in a simulated system of nine competing and mutating bacterium strains, which mimics the biochemical war among bacteria capable of producing two different bacteriocins (toxins) at most. Random sequential dynamics on a square lattice is governed by very symmetrical transition rules for neighborhood invasions of sensitive strains by killers, killers by resistants, and resistants by sensitives. The community of the nine possible toxicity/resistance types undergoes a critical phase transition as the uniform transmutation rates between the types decreases below a critical value P c above that all the nine types of strains coexist with equal frequencies. Passing the critical mutation rate from above, the system collapses into one of three topologically identical (degenerated) states, each consisting of three strain types. Of the three possible final states each accrues with equal probability and all three maintain themselves in a self-organizing polydomain structure via cyclic invasions. Our Monte Carlo simulations support that this symmetry-breaking transition belongs to the universality class of the three-state Potts model

Bifurcation analysis and dimension reduction of a predator-prey model for the L-H transition

DEFF Research Database (Denmark)

Dam, Magnus; Brøns, Morten; Juul Rasmussen, Jens

2013-01-01

The L-H transition denotes a shift to an improved confinement state of a toroidal plasma in a fusion reactor. A model of the L-H transition is required to simulate the time dependence of tokamak discharges that include the L-H transition. A 3-ODE predator-prey type model of the L-H transition...

Free association transitions in models of cortical latching dynamics

International Nuclear Information System (INIS)

Russo, Eleonora; Treves, Alessandro; Kropff, Emilio; Namboodiri, Vijay M K

2008-01-01

Potts networks, in certain conditions, hop spontaneously from one discrete attractor state to another, a process we have called latching dynamics. When continuing indefinitely, latching can serve as a model of infinite recursion, which is nontrivial if the matrix of transition probabilities presents a structure, i.e. a rudimentary grammar. We show here, with computer simulations, that latching transitions cluster in a number of distinct classes: effectively random transitions between weakly correlated attractors; structured, history-dependent transitions between attractors with intermediate correlations; and oscillations between pairs of closely overlapping attractors. Each type can be described by a reduced set of equations of motion, which, once numerically integrated, matches simulations results. We propose that the analysis of such equations may offer clues on how to embed meaningful grammatical structures into more realistic models of specific recursive processes

Free association transitions in models of cortical latching dynamics

Energy Technology Data Exchange (ETDEWEB)

Russo, Eleonora; Treves, Alessandro; Kropff, Emilio [SISSA, Cognitive Neuroscience, via Beirut 4, 34014 Trieste (Italy); Namboodiri, Vijay M K [Department of Physics, IIT Bombay, Powai, Mumbai, India 400076 (India)], E-mail: russo@sissa.it, E-mail: vijay_mkn@iitb.ac.in, E-mail: ale@sissa.it, E-mail: kropff@sissa.it

2008-01-15

Potts networks, in certain conditions, hop spontaneously from one discrete attractor state to another, a process we have called latching dynamics. When continuing indefinitely, latching can serve as a model of infinite recursion, which is nontrivial if the matrix of transition probabilities presents a structure, i.e. a rudimentary grammar. We show here, with computer simulations, that latching transitions cluster in a number of distinct classes: effectively random transitions between weakly correlated attractors; structured, history-dependent transitions between attractors with intermediate correlations; and oscillations between pairs of closely overlapping attractors. Each type can be described by a reduced set of equations of motion, which, once numerically integrated, matches simulations results. We propose that the analysis of such equations may offer clues on how to embed meaningful grammatical structures into more realistic models of specific recursive processes.

Combining state-and-transition simulations and species distribution models to anticipate the effects of climate change

Science.gov (United States)

Miller, Brian W.; Frid, Leonardo; Chang, Tony; Piekielek, N. B.; Hansen, Andrew J.; Morisette, Jeffrey T.

2015-01-01

State-and-transition simulation models (STSMs) are known for their ability to explore the combined effects of multiple disturbances, ecological dynamics, and management actions on vegetation. However, integrating the additional impacts of climate change into STSMs remains a challenge. We address this challenge by combining an STSM with species distribution modeling (SDM). SDMs estimate the probability of occurrence of a given species based on observed presence and absence locations as well as environmental and climatic covariates. Thus, in order to account for changes in habitat suitability due to climate change, we used SDM to generate continuous surfaces of species occurrence probabilities. These data were imported into ST-Sim, an STSM platform, where they dictated the probability of each cell transitioning between alternate potential vegetation types at each time step. The STSM was parameterized to capture additional processes of vegetation growth and disturbance that are relevant to a keystone species in the Greater Yellowstone Ecosystem—whitebark pine (Pinus albicaulis). We compared historical model runs against historical observations of whitebark pine and a key disturbance agent (mountain pine beetle, Dendroctonus ponderosae), and then projected the simulation into the future. Using this combination of correlative and stochastic simulation models, we were able to reproduce historical observations and identify key data gaps. Results indicated that SDMs and STSMs are complementary tools, and combining them is an effective way to account for the anticipated impacts of climate change, biotic interactions, and disturbances, while also allowing for the exploration of management options.

Modelling Hegemonic Power Transition in Cyberspace

Directory of Open Access Journals (Sweden)

Dmitry Brizhinev

2018-01-01

Full Text Available Cyberspace is the newest domain of conflict and cooperation between states. In cyberspace, as in all other domains, land, sea, air, and space, these interactions often lead to the emergence of hegemons which are characterised by their predominant influence over global world order and all other states. We examined the emergence and collapse of hegemons in a modelled cyberspace world through the notions of power transition and power diffusion. We used Repast Simphony to construct a simple agent-based model (ABM of a system of states interacting both competitively and cooperatively in this world. Our simple model parsimoniously captures the character of the real international system of states through simple parameters of wealth and power determining the outcome of attack or cooperation amongst pairwise interacting states. We found hegemons of global world order emerged in cyberspace as they do in the other traditional domains from models with these few parameters. And we found that hegemons, contrary to traditional understanding, are not exceptional states but merely occupy the tail of a continuous distribution of power and lifetimes. We also found that hegemony in the system depends on two perhaps unexpected parameters: the difficulty of acquiring power as wealth increases and the amount of cooperation between states. And as a consequence, we argue that cyberspace, as a power-diffuse domain where cooperation is easier than elsewhere, is less suited to the kind of hegemony we see in the traditional domains of state interaction.

Tools for Resilience Management: Multidisciplinary Development of State-and-Transition Models for Northwest Colorado

Directory of Open Access Journals (Sweden)

Emily J. Kachergis

2013-12-01

Full Text Available Building models is an important way of integrating knowledge. Testing and updating models of social-ecological systems can inform management decisions and, ultimately, improve resilience. We report on the outcomes of a six-year, multidisciplinary model development process in the sagebrush steppe, USA. We focused on creating state-and-transition models (STMs, conceptual models of ecosystem change that represent nonlinear dynamics and are being adopted worldwide as tools for managing ecosystems. STM development occurred in four steps with four distinct sets of models: (1 local knowledge elicitation using semistructured interviews; (2 ecological data collection using an observational study; (3 model integration using participatory workshops; and (4 model simplification upon review of the literature by a multidisciplinary team. We found that different knowledge types are ultimately complementary. Many of the benefits of the STM-building process flowed from the knowledge integration steps, including improved communication, identification of uncertainties, and production of more broadly credible STMs that can be applied in diverse situations. The STM development process also generated hypotheses about sagebrush steppe dynamics that could be tested by future adaptive management and research. We conclude that multidisciplinary development of STMs has great potential for producing credible, useful tools for managing resilience of social-ecological systems. Based on this experience, we outline a streamlined, participatory STM development process that integrates multiple types of knowledge and incorporates adaptive management.

Equation of state description of the dark energy transition between quintessence and phantom regimes

International Nuclear Information System (INIS)

Stefancic, Hrvoje

2006-01-01

The dark energy crossing of the cosmological constant boundary (the transition between the quintessence and phantom regimes) is described in terms of the implicitly defined dark energy equation of state. The generalizations of the models explicitly constructed to exhibit the crossing provide the insight into the cancellation mechanism which makes the transition possible

Phase transitions in a lattice population model

International Nuclear Information System (INIS)

Windus, Alastair; Jensen, Henrik J

2007-01-01

We introduce a model for a population on a lattice with diffusion and birth/death according to 2A→3A and A→Φ for a particle A. We find that the model displays a phase transition from an active to an absorbing state which is continuous in 1 + 1 dimensions and of first-order in higher dimensions in agreement with the mean field equation. For the (1 + 1)-dimensional case, we examine the critical exponents and a scaling function for the survival probability and show that it belongs to the universality class of directed percolation. In higher dimensions, we look at the first-order phase transition by plotting a histogram of the population density and use the presence of phase coexistence to find an accurate value for the critical point in 2 + 1 dimensions

Periodic-orbit formula for quantum reactions through transition states

NARCIS (Netherlands)

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

2010-01-01

Transition state theory forms the basis of computing reaction rates in chemical and other systems. Recently, it has been shown how transition state theory can rigorously be realized in phase space by using an explicit algorithm. The quantization has been demonstrated to lead to an efficient

Phase transitions in the sdg interacting boson model

Science.gov (United States)

Van Isacker, P.; Bouldjedri, A.; Zerguine, S.

2010-05-01

A geometric analysis of the sdg interacting boson model is performed. A coherent state is used in terms of three types of deformation: axial quadrupole ( β), axial hexadecapole ( β) and triaxial ( γ). The phase-transitional structure is established for a schematic sdg Hamiltonian which is intermediate between four dynamical symmetries of U(15), namely the spherical U(5)⊗U(9), the (prolate and oblate) deformed SU(3) and the γ-soft SO(15) limits. For realistic choices of the Hamiltonian parameters the resulting phase diagram has properties close to what is obtained in the sd version of the model and, in particular, no transition towards a stable triaxial shape is found.

Phase transitions in the sdg interacting boson model

International Nuclear Information System (INIS)

Van Isacker, P.; Bouldjedri, A.; Zerguine, S.

2010-01-01

A geometric analysis of the sdg interacting boson model is performed. A coherent state is used in terms of three types of deformation: axial quadrupole (β 2 ), axial hexadecapole (β 4 ) and triaxial (γ 2 ). The phase-transitional structure is established for a schematic sdg Hamiltonian which is intermediate between four dynamical symmetries of U(15), namely the spherical U(5)xU(9), the (prolate and oblate) deformed SU ± (3) and the γ 2 -soft SO(15) limits. For realistic choices of the Hamiltonian parameters the resulting phase diagram has properties close to what is obtained in the sd version of the model and, in particular, no transition towards a stable triaxial shape is found.

From bedside to classroom: the nurse educator transition model.

Science.gov (United States)

Schoening, Anne M

2013-01-01

The purpose of this qualitative study was to generate a theoretical model that describes the social process that occurs during the role transition from nurse to nurse educator. Recruitment and retention of qualified nurse educators is essential in order to remedy the current staff nurse and faculty shortage in the United States, yet nursing schools face many challenges in this area. This grounded theory study utilized purposive, theoretical sampling to identify 20 nurse educators teaching in baccalaureate nursing programs in the Midwest. The Nurse Educator Transition (NET) model was created from these data.This model identifies four phases in the role transition from nurse to nurse educator: a) the Anticipatory/Expectation Phase, b) the Disorientation Phase, c) the Information-Seeking Phase, and d) the Identity Formation Phase. Recommendations include integrating formal pedagogical education into nursing graduate programs and creating evidence-based orientation and mentoring programs for novice nurse faculty.

Generating feasible transition paths for testing from an extended finite state machine (EFSM) with the counter problem

OpenAIRE

Kalaji, AS; Hierons, RM; Swift, S

2009-01-01

The extended finite state machine (EFSM) is a powerful approach for modeling state-based systems. However, testing from EFSMs is complicated by the existence of infeasible paths. One important problem is the existence of a transition with a guard that references a counter variable whose value depends on previous transitions. The presence of such transitions in paths often leads to infeasible paths. This paper proposes a novel approach to bypass the counter problem. The proposed approach is ev...

Combining state-and-transition simulations and species distribution models to anticipate the effects of climate change

Directory of Open Access Journals (Sweden)

Brian W. Miller

2015-05-01

Full Text Available State-and-transition simulation models (STSMs are known for their ability to explore the combined effects of multiple disturbances, ecological dynamics, and management actions on vegetation. However, integrating the additional impacts of climate change into STSMs remains a challenge. We address this challenge by combining an STSM with species distribution modeling (SDM. SDMs estimate the probability of occurrence of a given species based on observed presence and absence locations as well as environmental and climatic covariates. Thus, in order to account for changes in habitat suitability due to climate change, we used SDM to generate continuous surfaces of species occurrence probabilities. These data were imported into ST-Sim, an STSM platform, where they dictated the probability of each cell transitioning between alternate potential vegetation types at each time step. The STSM was parameterized to capture additional processes of vegetation growth and disturbance that are relevant to a keystone species in the Greater Yellowstone Ecosystem—whitebark pine (Pinus albicaulis. We compared historical model runs against historical observations of whitebark pine and a key disturbance agent (mountain pine beetle, Dendroctonus ponderosae, and then projected the simulation into the future. Using this combination of correlative and stochastic simulation models, we were able to reproduce historical observations and identify key data gaps. Results indicated that SDMs and STSMs are complementary tools, and combining them is an effective way to account for the anticipated impacts of climate change, biotic interactions, and disturbances, while also allowing for the exploration of management options.

On the valence state of Yb and Ce in transition metal intermetallic compounds

International Nuclear Information System (INIS)

Boer, F.R. de; Dijkman, W.H.; Mattens, W.C.M.

1979-01-01

In the pure state Yb is a divalent metal, similar to Ca; in alloys it can become trivalent like the majority of the rare earth metals. Using a value of 38 kJ (mol Yb) -1 for the energy difference between divalent and trivalent Yb metal and using model calculations for the heat of formation of intermetallic compounds, the authors are able to account for the existing information on the valence state of Yb in transition metal compounds. A similar analysis of compounds of Ce with transition metals shows that a model in which the 4f electron is treated as a core electron, i.e. being absent in the tetravalent modification of Ce and present as a fully localized electron in trivalent Ce, does not apply. (Auth.)

A Quantum Version of Wigner’s Transition State Theory

NARCIS (Netherlands)

Schubert, R.; Waalkens, H.; Wiggins, S.

2009-01-01

A quantum version of a recent realization of Wigner’s transition state theory in phase space is presented. The theory developed builds on a quantum normal form which locally decouples the quantum dynamics near the transition state to any desired order in ħ. This leads to an explicit algorithm to

Spectroscopy of 215Ra: the shell model and enhanced E3 transitions

International Nuclear Information System (INIS)

Stuchbery, A.E.; Dracoulis, G.D.; Kibedi, T.; Fabricius, B.; Lane, G.J.; Poletti, A.R.; Baxter, A.M.

1998-01-01

Excited states in the N=127 nucleus 215 Ra have been studied using γ-ray and electron spectroscopy following reactions of 13 C on 206 Pb targets. Levels were identified up to spins of ∝61/2 ℎ and excitation energies of ∝6 MeV. Enhanced octupole transitions are a feature of the level scheme. Lifetimes and magnetic moments were measured for several isomeric levels. The level scheme, transition rates and magnetic moments are compared with empirical shell model calculations and multiparticle octupole-coupled shell model calculations. In general, the experimental data are well described, but in comparison with its success in describing enhanced E3 transitions between related states in the radon isotopes, some limitations of the multiparticle octupole-coupling approach are revealed in 215 Ra. (orig.)

Improving the effectiveness of ecological site descriptions: General state-and-transition models and the Ecosystem Dynamics Interpretive Tool (EDIT)

Science.gov (United States)

Bestelmeyer, Brandon T.; Williamson, Jeb C.; Talbot, Curtis J.; Cates, Greg W.; Duniway, Michael C.; Brown, Joel R.

2016-01-01

State-and-transition models (STMs) are useful tools for management, but they can be difficult to use and have limited content.STMs created for groups of related ecological sites could simplify and improve their utility. The amount of information linked to models can be increased using tables that communicate management interpretations and important within-group variability.We created a new web-based information system (the Ecosystem Dynamics Interpretive Tool) to house STMs, associated tabular information, and other ecological site data and descriptors.Fewer, more informative, better organized, and easily accessible STMs should increase the accessibility of science information.

Charge and transition densities of samarium isotopes in the interacting Boson model

International Nuclear Information System (INIS)

Moinester, M.A.; Alster, J.; Dieperink, A.E.L.

1982-01-01

The interacting boson approximation (IBA) model has been used to interpret the ground-state charge distributions and lowest 2 + transition charge densities of the even samarium isotopes for A = 144-154. Phenomenological boson transition densities associated with the nucleons comprising the s-and d-bosons of the IBA were determined via a least squares fit analysis of charge and transition densities in the Sm isotopes. The application of these boson trasition densities to higher excited 0 + and 2 + states of Sm, and to 0 + and 2 + transitions in neighboring nuclei, such as Nd and Gd, is described. IBA predictions for the transition densities of the three lowest 2 + levels of 154 Gd are given and compared to theoretical transition densities based on Hartree-Fock calculations. The deduced quadrupole boson transition densities are in fair agreement with densities derived previously from 150 Nd data. It is also shown how certain moments of the best fit boson transition densities can simply and sucessfully describe rms radii, isomer shifts, B(E2) strengths, and transition radii for the Sm isotopes. (orig.)

Modelling conditional correlations of asset returns: A smooth transition approach

DEFF Research Database (Denmark)

Silvennoinen, Annastiina; Teräsvirta, Timo

In this paper we propose a new multivariate GARCH model with time-varying conditional correlation structure. The time-varying conditional correlations change smoothly between two extreme states of constant correlations according to a predetermined or exogenous transition variable. An LM-test is d......In this paper we propose a new multivariate GARCH model with time-varying conditional correlation structure. The time-varying conditional correlations change smoothly between two extreme states of constant correlations according to a predetermined or exogenous transition variable. An LM......-test is derived to test the constancy of correlations and LM- and Wald tests to test the hypothesis of partially constant correlations. Analytical expressions for the test statistics and the required derivatives are provided to make computations feasible. An empirical example based on daily return series of ve...

Phase Transitions in a Social Impact Model for Opinion Formation

Science.gov (United States)

Bordogna, Clelia M.; Albano, Ezequiel V.

A model for opinion formation in a social group, based on the Theory of Social Impact developed by Latané, is studied by means of numerical simulations. Interactions among the members of the group, as well as with a strong leader competing with the mass media, are considered. The model exhibits first-order transitions between two different states of opinion, which are supported by the leader and the mass media, respectively. The social inertia of the group becomes evident when the opinion of the leader changes periodically. In this case two dynamic states are identified: for long periods of time, the group follows the changes of the leader but, decreasing the period, the opinion of the group remains unchanged. This scenery is suitable for the ocurrence of dynamic phase transitions.

Phase transitions in the sdg interacting boson model

Energy Technology Data Exchange (ETDEWEB)

Van Isacker, P. [Grand Accelerateur National d' Ions Lourds, CEA/DSM-CNRS/IN2P3, BP 55027, F-14076 Caen Cedex 5 (France)], E-mail: isacker@ganil.fr; Bouldjedri, A.; Zerguine, S. [Department of Physics, PRIMALAB Laboratory, University of Batna, Avenue Boukhelouf M El Hadi, 05000 Batna (Algeria)

2010-05-15

A geometric analysis of the sdg interacting boson model is performed. A coherent state is used in terms of three types of deformation: axial quadrupole ({beta}{sub 2}), axial hexadecapole ({beta}{sub 4}) and triaxial ({gamma}{sub 2}). The phase-transitional structure is established for a schematic sdg Hamiltonian which is intermediate between four dynamical symmetries of U(15), namely the spherical U(5)xU(9), the (prolate and oblate) deformed SU{sub {+-}}(3) and the {gamma}{sub 2}-soft SO(15) limits. For realistic choices of the Hamiltonian parameters the resulting phase diagram has properties close to what is obtained in the sd version of the model and, in particular, no transition towards a stable triaxial shape is found.

Catastrophic regime shifts in model ecological communities are true phase transitions

International Nuclear Information System (INIS)

Capitán, J A; Cuesta, J A

2010-01-01

Ecosystems often undergo abrupt regime shifts in response to gradual external changes. These shifts are theoretically understood as a regime switch between alternative stable states of the ecosystem dynamical response to smooth changes in external conditions. Usual models introduce nonlinearities in the macroscopic dynamics of the ecosystem that lead to different stable attractors among which the shift takes place. Here we propose an alternative explanation of catastrophic regime shifts based on a recent model that pictures ecological communities as systems in continuous fluctuation, according to certain transition probabilities, between different micro-states in the phase space of viable communities. We introduce a spontaneous extinction rate that accounts for gradual changes in external conditions, and upon variations on this control parameter the system undergoes a regime shift with similar features to those previously reported. Under our microscopic viewpoint we recover the main results obtained in previous theoretical and empirical work (anomalous variance, hysteresis cycles, trophic cascades). The model predicts a gradual loss of species in trophic levels from bottom to top near the transition. But more importantly, the spectral analysis of the transition probability matrix allows us to rigorously establish that we are observing the fingerprints, in a finite size system, of a true phase transition driven by background extinctions

Walk, Bicycle, and Transit Trips of Transit-Dependent and Choice Riders in the 2009 United States National Household Travel Survey.

Science.gov (United States)

Lachapelle, Ugo

2015-08-01

Previous research has shown that public transit use may be associated with active transportation. Access to a car may influence active transportation of transit riders. Using the 2009 United States National Household Travel Survey (NHTS), transit users ≥ 16 years old (n = 25,550) were categorized according to driver status and number of cars and drivers in the household. This typology ranged from choice transit riders (ie, "fully motorized drivers") to transit-dependent riders (ie, "unmotorized nondriver"). Transit trips, walking trips, and bicycling trips of transit users are estimated in negative binomial models against the car availability typology. Sixteen percent of participants took transit in the past month; most (86%) lived in car-owning households. As income increased, car availability also increased. Transit user groups with lower car availability were generally more likely than fully motorized drivers to take more public transit, walking, and bicycle trips. Transit riders have varying levels of vehicle access; their use of combinations of alternative modes of transportation fluctuates accordingly. Transit-dependent individuals without cars or sharing cars used active transportation more frequently than car owners. Policies to reduce vehicle ownership in households may enable increases in the use of alternative modes of transportation for transit users, even when cars are still owned.

Remote sensing, geographical information systems, and spatial modeling for analyzing public transit services

Science.gov (United States)

Wu, Changshan

Public transit service is a promising transportation mode because of its potential to address urban sustainability. Current ridership of public transit, however, is very low in most urban regions, particularly those in the United States. This woeful transit ridership can be attributed to many factors, among which poor service quality is key. Given this, there is a need for transit planning and analysis to improve service quality. Traditionally, spatially aggregate data are utilized in transit analysis and planning. Examples include data associated with the census, zip codes, states, etc. Few studies, however, address the influences of spatially aggregate data on transit planning results. In this research, previous studies in transit planning that use spatially aggregate data are reviewed. Next, problems associated with the utilization of aggregate data, the so-called modifiable areal unit problem (MAUP), are detailed and the need for fine resolution data to support public transit planning is argued. Fine resolution data is generated using intelligent interpolation techniques with the help of remote sensing imagery. In particular, impervious surface fraction, an important socio-economic indicator, is estimated through a fully constrained linear spectral mixture model using Landsat Enhanced Thematic Mapper Plus (ETM+) data within the metropolitan area of Columbus, Ohio in the United States. Four endmembers, low albedo, high albedo, vegetation, and soil are selected to model heterogeneous urban land cover. Impervious surface fraction is estimated by analyzing low and high albedo endmembers. With the derived impervious surface fraction, three spatial interpolation methods, spatial regression, dasymetric mapping, and cokriging, are developed to interpolate detailed population density. Results suggest that cokriging applied to impervious surface is a better alternative for estimating fine resolution population density. With the derived fine resolution data, a multiple

EVIDENCE OF LIGHT-BENDING EFFECTS AND ITS IMPLICATION FOR SPECTRAL STATE TRANSITIONS

International Nuclear Information System (INIS)

Reis, R. C.; Miller, J. M.; Reynolds, M. T.; Fabian, A. C.; Walton, D. J.; Steiner, J. F.; Cackett, E.

2013-01-01

It has long been speculated that the nature of the hard X-ray corona may be an important second driver of black hole state transitions, in addition to the mass accretion rate through the disk. However, a clear physical picture of coronal changes has not yet emerged. We present results from a systematic analysis of Rossi X-Ray Timing Explorer observations of the stellar-mass black hole binary XTE J1650-500. All spectra with significant hard X-ray detections were fit using a self-consistent, relativistically blurred disk reflection model suited to high ionization regimes. Importantly, we find evidence that both the spectral and timing properties of black hole states may be partially driven by the height of the X-ray corona above the disk, and related changes in how gravitational light bending affects the corona-disk interaction. Specifically, the evolution of the power-law, thermal disk, and relativistically convolved reflection components in our spectral analysis indicates that: (1) the disk inner radius remains constant at r in =1.65 ± 0.08 GM/c 2 (consistent with values found for the ISCO of XTE J1650-500 in other works) throughout the transition from the brighter phases of the low-hard state to the intermediate states (both the hard-intermediate and soft-intermediate), through to the soft state and back; (2) the ratio between the observed reflected X-ray flux and power-law continuum (the 'reflection fraction', R) increases sharply at the transition between the hard-intermediate and soft-intermediate states ('ballistic' jets are sometimes launched at this transition); (3) both the frequency and coherence of the high-frequency quasi-periodic oscillations observed in XTE J1650-500 increase with R. We discuss our results in terms of black hole states and the nature of black hole accretion flows across the mass scale.

Modelling and numerical simulation of liquid-vapor phase transitions

International Nuclear Information System (INIS)

Caro, F.

2004-11-01

This work deals with the modelling and numerical simulation of liquid-vapor phase transition phenomena. The study is divided into two part: first we investigate phase transition phenomena with a Van Der Waals equation of state (non monotonic equation of state), then we adopt an alternative approach with two equations of state. In the first part, we study the classical viscous criteria for selecting weak solutions of the system used when the equation of state is non monotonic. Those criteria do not select physical solutions and therefore we focus a more recent criterion: the visco-capillary criterion. We use this criterion to exactly solve the Riemann problem (which imposes solving an algebraic scalar non linear equation). Unfortunately, this step is quite costly in term of CPU which prevent from using this method as a ground for building Godunov solvers. That is why we propose an alternative approach two equations of state. Using the least action principle, we propose a phase changing two-phase flow model which is based on the second thermodynamic principle. We shall then describe two equilibrium submodels issued from the relaxations processes when instantaneous equilibrium is assumed. Despite the weak hyperbolicity of the last sub-model, we propose stable numerical schemes based on a two-step strategy involving a convective step followed by a relaxation step. We show the ability of the system to simulate vapor bubbles nucleation. (author)

A Framework for Quantitative Modeling of Neural Circuits Involved in Sleep-to-Wake Transition

Directory of Open Access Journals (Sweden)

Siamak eSorooshyari

2015-02-01

Full Text Available Identifying the neuronal circuits and dynamics of sleep-to-wake transition is essential to understanding brain regulation of behavioral states, including sleep-wake cycles, arousal, and hyperarousal. Recent work by different laboratories has used optogenetics to determine the role of individual neuromodulators in state transitions. The optogenetically-driven data does not yet provide a multi-dimensional schematic of the mechanisms underlying changes in vigilance states. This work presents a modeling framework to interpret, assist, and drive research on the sleep-regulatory network. We identify feedback, redundancy, and gating hierarchy as three fundamental aspects of this model. The presented model is expected to expand as additional data on the contribution of each transmitter to a vigilance state becomes available. Incorporation of conductance-based models of neuronal ensembles into this model and existing models of cortical excitability will provide more comprehensive insight into sleep dynamics as well as sleep and arousal-related disorders.

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

International Nuclear Information System (INIS)

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

2011-01-01

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.

Transition Models for Engineering Calculations

Science.gov (United States)

Fraser, C. J.

2007-01-01

While future theoretical and conceptual developments may promote a better understanding of the physical processes involved in the latter stages of boundary layer transition, the designers of rotodynamic machinery and other fluid dynamic devices need effective transition models now. This presentation will therefore center around the development of of some transition models which have been developed as design aids to improve the prediction codes used in the performance evaluation of gas turbine blading. All models are based on Narasimba's concentrated breakdown and spot growth.

The reduced transition probabilities for excited states of rare-earths and actinide even-even nuclei

Energy Technology Data Exchange (ETDEWEB)

Ghumman, S. S. [Department of Physics, Sant Longowal Institute of Engineering and Technology (Deemed University), Longowal, Sangrur-148106, Punjab, India s-ghumman@yahoo.com (India)

2015-08-28

The theoretical B(E2) ratios have been calculated on DF, DR and Krutov models. A simple method based on the work of Arima and Iachello is used to calculate the reduced transition probabilities within SU(3) limit of IBA-I framework. The reduced E2 transition probabilities from second excited states of rare-earths and actinide even–even nuclei calculated from experimental energies and intensities from recent data, have been found to compare better with those calculated on the Krutov model and the SU(3) limit of IBA than the DR and DF models.

Transition by breaking of analyticity in the ground state of Josephson junction arrays as a static signature of the vortex jamming transition

KAUST Repository

Nogawa, Tomoaki

2012-05-22

We investigate the ground state of the irrationally frustrated Josephson junction array with a controlling anisotropy parameter λ that is the ratio of the longitudinal Josephson coupling to the transverse one. We find that the ground state has one-dimensional periodicity whose reciprocal lattice vector depends on λ and is incommensurate with the substrate lattice. Approaching the isotropic point λ=1, the so-called hull function of the ground state exhibits analyticity breaking similar to the Aubry transition in the Frenkel-Kontorova model. We find a scaling law for the harmonic spectrum of the hull functions, which suggests the existence of a characteristic length scale diverging at the isotropic point. This critical behavior is directly connected to the jamming transition previously observed in the current-voltage characteristics by a numerical simulation. On top of the ground state there is a gapless continuous band of metastable states, which exhibit the same critical behavior as the ground state. © 2012 American Physical Society.

Generic finite size scaling for discontinuous nonequilibrium phase transitions into absorbing states

Science.gov (United States)

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.

Macroeconomic models and energy transition

International Nuclear Information System (INIS)

Douillard, Pierre; Le Hir, Boris; Epaulard, Anne

2016-02-01

As a new policy for energy transition has just been adopted, several questions emerge about the best way to reduce CO 2 emissions, about policies which enable this reduction, and about their costs and opportunities. This note discusses the contribution macro-economic models may have in this respect, notably in the definition of policies which trigger behaviour changes, and those which support energy transition. The authors first discuss the stakes of the assessment of energy transition, and then describe macro-economic models which can be used for such an assessment, give and comment some results of simulations performed for France by using four of these models (Mesange, Numesis, ThreeME, and Imaclim-R France). The authors finally draw lessons about the way to use these models and to interpret their results within the frame of energy transition

Dynamic State Space Partitioning for External Memory Model Checking

DEFF Research Database (Denmark)

Evangelista, Sami; Kristensen, Lars Michael

2009-01-01

We describe a dynamic partitioning scheme usable by model checking techniques that divide the state space into partitions, such as most external memory and distributed model checking algorithms. The goal of the scheme is to reduce the number of transitions that link states belonging to different...

Ground states of a spin-boson model

International Nuclear Information System (INIS)

Amann, A.

1991-01-01

Phase transition with respect to ground states of a spin-boson Hamiltonian are investigated. The spin-boson model under discussion consists of one spin and infinitely many bosons with a dipole-type coupling. It is shown that the order parameter of the model vanishes with respect to arbitrary ground states if it vanishes with respect to ground states obtained as (biased) temperature to zero limits of thermic equilibrium states. The ground states of the latter special type have been investigated by H. Spohn. Spohn's respective phase diagrams are therefore valid for arbitrary ground states. Furthermore, disjointness of ground states in the broken symmetry regime is examined

Dynamics of Number of Packets in Transit in Free Flow State of Data Network

International Nuclear Information System (INIS)

Shengkun Xie; Lawniczak, A.T.

2011-01-01

We study how the dynamics of Number of Packets in Transit (NPT) is affected by the coupling of a routing type with a volume of incoming packet traffic in a data network model of packet switching type. The NPT is a network performance indicator of an aggregate type that measures in '' real time '', how many packets are in the network on their routes to their destinations. We conduct our investigation using a time-discrete simulation model that is an abstraction of the Network Layer of the ISO OSI Seven Layer Reference Model. This model focuses on packets and their routing. We consider a static routing and two different types of dynamic routings coupled with different volumes of incoming packet traffic in the network free flow state. Our study shows that the order of the values of the NPT mean value time series depends on the coupling of a routing type with a volume of incoming packet traffic and changes when the volume of incoming packet traffic increases and is closed to the critical source load values, i.e. when it is closed to the phase transition points from the network free flow state to its congested states. (authors)

CORRELATION OF THE GLASS TRANSITION TEMPERATURE OF PLASTICIZED PVC USING A LATTICE FLUID MODEL

Science.gov (United States)

A model has been developed to describe the composition dependence of the glass transition temperature (Tg) of polyvinyl chloride (PVC) + plasticizer mixtures. The model is based on Sanchez-Lacombe equation of state and the Gibbs-Di Marzio criterion, which states that th...

Evaporation-condensation transition of the two-dimensional Potts model in the microcanonical ensemble

KAUST Repository

Nogawa, Tomoaki

2011-12-05

The evaporation-condensation transition of the Potts model on a square lattice is numerically investigated by the Wang-Landau sampling method. An intrinsically system-size-dependent discrete transition between supersaturation state and phase-separation state is observed in the microcanonical ensemble by changing constrained internal energy. We calculate the microcanonical temperature, as a derivative of microcanonical entropy, and condensation ratio, and perform a finite-size scaling of them to indicate the clear tendency of numerical data to converge to the infinite-size limit predicted by phenomenological theory for the isotherm lattice gas model. © 2011 American Physical Society.

Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

International Nuclear Information System (INIS)

Arnold, D.W.

1994-08-01

Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O 3 - . A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO 2 , has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO 2 molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO 2 reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C 2 - - C 11 - ), and van der Waals clusters (X - (CO 2 ) n , X = I, Br, Cl; n ≤ 13 and I - (N 2 O) n=1--11 ). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X - (CO 2 )n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products

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

Science.gov (United States)

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.

Quantifying the limits of transition state theory in enzymatic catalysis.

Science.gov (United States)

Zinovjev, Kirill; Tuñón, Iñaki

2017-11-21

While being one of the most popular reaction rate theories, the applicability of transition state theory to the study of enzymatic reactions has been often challenged. The complex dynamic nature of the protein environment raised the question about the validity of the nonrecrossing hypothesis, a cornerstone in this theory. We present a computational strategy to quantify the error associated to transition state theory from the number of recrossings observed at the equicommittor, which is the best possible dividing surface. Application of a direct multidimensional transition state optimization to the hydride transfer step in human dihydrofolate reductase shows that both the participation of the protein degrees of freedom in the reaction coordinate and the error associated to the nonrecrossing hypothesis are small. Thus, the use of transition state theory, even with simplified reaction coordinates, provides a good theoretical framework for the study of enzymatic catalysis. Copyright © 2017 the Author(s). Published by PNAS.

Discontinuous jamming transitions in soft materials: coexistence of flowing and jammed states

International Nuclear Information System (INIS)

Dennin, Michael

2008-01-01

Many systems in nature exhibit transitions between fluid-like states and solid-like states, or 'jamming transitions'. There is a strong theoretical foundation for understanding equilibrium phase transitions that involve solidification, or jamming. Other jamming transitions, such as the glass transition, are less well understood. The jamming phase diagram has been proposed to unify the description of equilibrium phase transitions, the glass transitions, and other nonequilibrium jamming transitions. As with equilibrium phase transitions, which can either be first order (discontinuous in a relevant order parameter) or second order (continuous), one would expect that generalized jamming transitions can be continuous or discontinuous. In studies of flow in complex fluids, there is a wide range of evidence for discontinuous transitions, mostly in the context of shear localization, or shear banding. In this paper, I review the experimental evidence for discontinuous transitions. I focus on systems in which there is a discontinuity in the rate of strain between two, coexisting states: one in which the material is flowing and the other in which it is solid-like. (topical review)

Modeling Intracellular Oscillations and Polarity Transition in Fission Yeast

Science.gov (United States)

Drake, Tyler; Das, Maitreyi; Verde, Fulvia; Vavylonis, Dimitrios

2011-03-01

Fission yeast, a pill-shaped model organism, restricts growth to its tips. These cells maintain an asymmetric growth state, growing at only one tip, until they meet length and cell-cycle requirements. With these met, they grow at both. The mechanism of this transition, new-end take-off (NETO), remains unclear. We find that NETO occurs due to long-range competition for fast-diffusing signaling protein Cdc42 between the old and new tips. From experimental results, we suppose that symmetric tips compete for Cdc42, which triggers growth. We describe a symmetric growth model based on competition between tips. This model restricts short cells to monopolar states while allowing longer cells to be bipolar. Autocatalytic Cdc42 recruiting at both cells tips leads to broken symmetry, and the recruiting cuts off as tip Cdc42 levels saturate. Non-linear differential equations describe the model, with stable attractors indicating valid distributions. Linear stability analysis and numerical methods identify stable fixed points over a twofold increase in cell length. The model reproduces qualitative behavior of the organism. We show that observed pole-to-pole Cdc42 oscillations may facilitate the polarity transition and discuss their relationship to the Min system in E. Coli.

Spectral properties near the Mott transition in the two-dimensional Hubbard model

Science.gov (United States)

Kohno, Masanori

2013-03-01

Single-particle excitations near the Mott transition in the two-dimensional (2D) Hubbard model are investigated by using cluster perturbation theory. The Mott transition is characterized by the loss of the spectral weight from the dispersing mode that leads continuously to the spin-wave excitation of the Mott insulator. The origins of the dominant modes of the 2D Hubbard model near the Mott transition can be traced back to those of the one-dimensional Hubbard model. Various anomalous spectral features observed in cuprate high-temperature superconductors, such as the pseudogap, Fermi arc, flat band, doping-induced states, hole pockets, and spinon-like and holon-like branches, as well as giant kink and waterfall in the dispersion relation, are explained in a unified manner as properties near the Mott transition in a 2D system.

Experiences of Nigerian Internationally Educated Nurses Transitioning to United States Health Care Settings.

Science.gov (United States)

Iheduru-Anderson, Kechinyere C; Wahi, Monika M

2018-04-01

Successful transition to practice of internationally educated nurses (IENs) can critically affect quality of care. The aim of this study was to characterize the facilitators and barriers to transition of Nigerian IENs (NIENs) to the United States health care setting. Using a descriptive phenomenology approach, 6 NIENs were interviewed about their transitional experiences in the United States. Thematic methods were used for data analysis. The three major themes identified from the participants' stories were "fear/anger and disappointment" (FAD), "road/journey to success/overcoming challenges" (RJO), and "moving forward" (MF). The FAD theme predominated, including experiences of racism, bullying, and inequality. The RJO theme included resilience, and the MF theme encompassed personal growth. NIENs face personal and organizational barriers to adaptation, especially fear, anger and disappointment. Future research should seek to develop a model for optimal adaptation that focuses on improving both personal and organizational facilitators and decreasing barriers.

A stochastic estimation procedure for intermittently-observed semi-Markov multistate models with back transitions.

Science.gov (United States)

Aralis, Hilary; Brookmeyer, Ron

2017-01-01

Multistate models provide an important method for analyzing a wide range of life history processes including disease progression and patient recovery following medical intervention. Panel data consisting of the states occupied by an individual at a series of discrete time points are often used to estimate transition intensities of the underlying continuous-time process. When transition intensities depend on the time elapsed in the current state and back transitions between states are possible, this intermittent observation process presents difficulties in estimation due to intractability of the likelihood function. In this manuscript, we present an iterative stochastic expectation-maximization algorithm that relies on a simulation-based approximation to the likelihood function and implement this algorithm using rejection sampling. In a simulation study, we demonstrate the feasibility and performance of the proposed procedure. We then demonstrate application of the algorithm to a study of dementia, the Nun Study, consisting of intermittently-observed elderly subjects in one of four possible states corresponding to intact cognition, impaired cognition, dementia, and death. We show that the proposed stochastic expectation-maximization algorithm substantially reduces bias in model parameter estimates compared to an alternative approach used in the literature, minimal path estimation. We conclude that in estimating intermittently observed semi-Markov models, the proposed approach is a computationally feasible and accurate estimation procedure that leads to substantial improvements in back transition estimates.

The Variable Transition State in Polar Additions to Pi Bonds

Science.gov (United States)

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.…

Study on State Transition Method Applied to Motion Planning for a Humanoid Robot

Directory of Open Access Journals (Sweden)

Xuyang Wang

2008-11-01

Full Text Available This paper presents an approach of motion planning for a humanoid robot using a state transition method. In this method, motion planning is simplified by introducing a state-space to describe the whole motion series. And each state in the state-space corresponds to a contact state specified during the motion. The continuous motion is represented by a sequence of discrete states. The concept of the transition between two neighboring states, that is the state transition, can be realized by using some traditional path planning methods. Considering the dynamical stability of the robot, a state transition method based on search strategy is proposed. Different sets of trajectories are generated by using a variable 5th-order polynomial interpolation method. After quantifying the stabilities of these trajectories, the trajectories with the largest stability margin are selected as the final state transition trajectories. Rising motion process is exemplified to validate the method and the simulation results show the proposed method to be feasible and effective.

Ashkin-Teller criticality and weak first-order behavior of the phase transition to a fourfold degenerate state in two-dimensional frustrated Ising antiferromagnets

Science.gov (United States)

Liu, R. M.; Zhuo, W. Z.; Chen, J.; Qin, M. H.; Zeng, M.; Lu, X. B.; Gao, X. S.; Liu, J.-M.

2017-07-01

We study the thermal phase transition of the fourfold degenerate phases (the plaquette and single-stripe states) in the two-dimensional frustrated Ising model on the Shastry-Sutherland lattice using Monte Carlo simulations. The critical Ashkin-Teller-like behavior is identified both in the plaquette phase region and the single-stripe phase region. The four-state Potts critical end points differentiating the continuous transitions from the first-order ones are estimated based on finite-size-scaling analyses. Furthermore, a similar behavior of the transition to the fourfold single-stripe phase is also observed in the anisotropic triangular Ising model. Thus, this work clearly demonstrates that the transitions to the fourfold degenerate states of two-dimensional Ising antiferromagnets exhibit similar transition behavior.

Transitive probabilistic CLIR models.

NARCIS (Netherlands)

Kraaij, W.; de Jong, Franciska M.G.

2004-01-01

Transitive translation could be a useful technique to enlarge the number of supported language pairs for a cross-language information retrieval (CLIR) system in a cost-effective manner. The paper describes several setups for transitive translation based on probabilistic translation models. The

A PROPELLER MODEL FOR THE SUB-LUMINOUS STATE OF THE TRANSITIONAL MILLISECOND PULSAR PSR J1023+0038

Energy Technology Data Exchange (ETDEWEB)

Papitto, A.; Torres, D. F. [Institute of Space Sciences (CSIC-IEEC), Campus UAB, Carrer de Can Magrans, S/N, E-08193, Cerdanyola del Vallés, Barcelona (Spain)

2015-07-01

The discovery of millisecond pulsars switching between states powered either by the rotation of their magnetic field or by the accretion of matter has recently proved the tight link shared by millisecond radio pulsars and neutron stars in low-mass X-ray binaries. Transitional millisecond pulsars also show an enigmatic intermediate state in which the neutron star is surrounded by an accretion disk and emits coherent X-ray pulsations, but is sub-luminous in X-rays with respect to accreting neutron stars, and is brighter in gamma-rays than millisecond pulsars in the rotation-powered state. Here, we model the X-ray and gamma-ray emission observed from PSR J1023+0038 in such a state based on the assumptions that most of the disk in-flow is propelled away by the rapidly rotating neutron star magnetosphere, and that electrons can be accelerated to energies of a few GeV at the turbulent disk–magnetosphere boundary. We show that the synchrotron and self-synchrotron Compton emission coming from such a region, together with the hard disk emission typical of low states of accreting compact objects, is able to explain the radiation observed in the X-ray and gamma-ray bands. The average emission observed from PSR J1023+0038 is modeled by a disk in-flow with a rate of 1–3 × 10{sup −11} M{sub ⊙} yr{sup −1}, truncated at a radius ranging between 30 and 45 km, compatible with the hypothesis of a propelling magnetosphere. We compare the results we obtained with models that assume that a rotation-powered pulsar is turned on, showing how the spin-down power released in similar scenarios is hardly able to account for the magnitude of the observed emission.

Visualizing cell state transition using Raman spectroscopy.

Directory of Open Access Journals (Sweden)

Taro Ichimura

Full Text Available System level understanding of the cell requires detailed description of the cell state, which is often characterized by the expression levels of proteins. However, understanding the cell state requires comprehensive information of the cell, which is usually obtained from a large number of cells and their disruption. In this study, we used Raman spectroscopy, which can report changes in the cell state without introducing any label, as a non-invasive method with single cell capability. Significant differences in Raman spectra were observed at the levels of both the cytosol and nucleus in different cell-lines from mouse, indicating that Raman spectra reflect differences in the cell state. Difference in cell state was observed before and after the induction of differentiation in neuroblastoma and adipocytes, showing that Raman spectra can detect subtle changes in the cell state. Cell state transitions during embryonic stem cell (ESC differentiation were visualized when Raman spectroscopy was coupled with principal component analysis (PCA, which showed gradual transition in the cell states during differentiation. Detailed analysis showed that the diversity between cells are large in undifferentiated ESC and in mesenchymal stem cells compared with terminally differentiated cells, implying that the cell state in stem cells stochastically fluctuates during the self-renewal process. The present study strongly indicates that Raman spectral morphology, in combination with PCA, can be used to establish cells' fingerprints, which can be useful for distinguishing and identifying different cellular states.

Single-Column Model Simulations of Subtropical Marine Boundary-Layer Cloud Transitions Under Weakening Inversions: SCM SIMULATIONS OF CLOUD TRANSITIONS

Energy Technology Data Exchange (ETDEWEB)

Neggers, R. A. J. [Institute for Geophysics and Meteorology, Department of Geosciences, University of Cologne, Cologne Germany; Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Ackerman, A. S. [NASA Goddard Institute for Space Studies, New York NY USA; Angevine, W. M. [CIRES, University of Colorado, Boulder CO USA; NOAA Earth System Research Laboratory, Boulder CO USA; Bazile, E. [Météo France/CNRM, Toulouse France; Beau, I. [Météo France/ENM, Toulouse France; Blossey, P. N. [Department of Atmospheric Sciences, University of Washington, Seattle WA USA; Boutle, I. A. [Met Office, Exeter UK; de Bruijn, C. [Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Cheng, A. [NOAA Center for Weather and Climate Prediction, Environmental Modeling Center, College Park MD USA; van der Dussen, J. [Department of Geoscience and Remote Sensing, Delft University of Technology, Delft The Netherlands; Fletcher, J. [Department of Atmospheric Sciences, University of Washington, Seattle WA USA; University of Leeds, Leeds UK; Dal Gesso, S. [Institute for Geophysics and Meteorology, Department of Geosciences, University of Cologne, Cologne Germany; Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Jam, A. [Météo-France/CNRM & CNRS/IPSL/LMD, Toulouse France; Kawai, H. [Meteorological Research Institute, Climate Research Department, Japan Meteorological Agency, Tsukuba Japan; Cheedela, S. K. [Department of Atmosphere in the Earth System, Max-Planck Institut für Meteorologie, Hamburg Germany; Larson, V. E. [Department of Mathematical Sciences, University of Wisconsin-Milwaukee, Milwaukee WI USA; Lefebvre, M. -P. [Météo-France/CNRM & CNRS/IPSL/LMD, Toulouse France; Lock, A. P. [Met Office, Exeter UK; Meyer, N. R. [Department of Mathematical Sciences, University of Wisconsin-Milwaukee, Milwaukee WI USA; de Roode, S. R. [Department of Geoscience and Remote Sensing, Delft University of Technology, Delft The Netherlands; de Rooy, W. [Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Sandu, I. [Section of Physical Aspects, European Centre for Medium-Range Weather Forecasts, Reading UK; Xiao, H. [University of California at Los Angeles, Los Angeles CA USA; Pacific Northwest National Laboratory, Richland WA USA; Xu, K. -M. [NASA Langley Research Centre, Hampton VI USA

2017-10-01

Results are presented of the GASS/EUCLIPSE single-column model inter-comparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate mod- els for this cloud regime, using large-eddy simulations of the same scenes as a reference. A novelty is that the comparison covers four different cases instead of one, in order to broaden the covered parameter space. Three cases are situated in the North-Eastern Pa- cific, while one reflects conditions in the North-Eastern Atlantic. A set of variables is considered that reflects key aspects of the transition process, making use of simple met- rics to establish the model performance. Using this method some longstanding problems in low level cloud representation are identified. Considerable spread exists among models concerning the cloud amount, its vertical structure and the associated impact on radia- tive transfer. The sign and amplitude of these biases differ somewhat per case, depending on how far the transition has progressed. After cloud breakup the ensemble median ex- hibits the well-known “too few too bright” problem. The boundary layer deepening rate and its state of decoupling are both underestimated, while the representation of the thin capping cloud layer appears complicated by a lack of vertical resolution. Encouragingly, some models are successful in representing the full set of variables, in particular the verti- cal structure and diurnal cycle of the cloud layer in transition. An intriguing result is that the median of the model ensemble performs best, inspiring a new approach in subgrid pa- rameterization.

Employee Turnover Prediction Based on State-transition and Semi-Markov- A Case Study of Chinese State-owned Enterprise

Directory of Open Access Journals (Sweden)

Fang Ming

2017-01-01

Full Text Available As a main direction of Human Resource Management, employee turnover can provide decision support for managers. In this paper, we aim at predicting the turnover amount of employee on condition of different variable values. The properties of employee and job position are formulated as two variables, where the value of variable varies according to the the state of properties. Additionally, state-transition model is applied to describing employee’s job-state as well as the turnover type. Subsequently, we proposed a semi-Markov model to calculate the conditional turnover amount of employee. Then, we provide a dataset of employee records to illustrate how these models work in reality. Finally, it is proven that the proposed method in this paper is with great significance for managers to develop recruitment plans, promote rules, and retire regulations

Description of strong M1 transitions between 4^+ states at N=52 within the sdg-IBM-2

Science.gov (United States)

Casperson, R. J.; Werner, V.; Heinze, S.

2009-10-01

The interplay between collective and single-particle degrees of freedom for nuclei near the N=50 shell closure have recently been under investigation. In Molybdenum and Ruthenium nuclei, collective symmetric and mixed-symmetric structures have been identified, while in Zirconium, underlying shell-structure plays an enhanced role. The one-phonon 2^+ mixed-symmetry state was identified from its strong M1 transition to the 2^+1 state. Similar transitions were observed between 4^+ states in ^94Mo and ^92Zr, and shell model calculations indicate that hexadecapole excitations play a role. These phenomena will be investigated within the sdg-Interacting Boson Model-2 in order to gain a better understanding about the structure of the states involved, and to which extent the hexadecapole degree of freedom is important at relatively low energies. First calculations within this model, using an F-spin conserving Hamiltonian to disentangle symmetric and mixed- symmetric structures, will be presented and compared to data.

Direct modeling of regression effects for transition probabilities in the progressive illness-death model

DEFF Research Database (Denmark)

Azarang, Leyla; Scheike, Thomas; de Uña-Álvarez, Jacobo

2017-01-01

In this work, we present direct regression analysis for the transition probabilities in the possibly non-Markov progressive illness–death model. The method is based on binomial regression, where the response is the indicator of the occupancy for the given state along time. Randomly weighted score...

Connecting the Kuramoto Model and the Chimera State

Science.gov (United States)

Kotwal, Tejas; Jiang, Xin; Abrams, Daniel M.

2017-12-01

Since its discovery in 2002, the chimera state has frequently been described as a counterintuitive, puzzling phenomenon. The Kuramoto model, in contrast, has become a celebrated paradigm useful for understanding a range of phenomena related to phase transitions, synchronization, and network effects. Here we show that the chimera state can be understood as emerging naturally through a symmetry-breaking bifurcation from the Kuramoto model's partially synchronized state. Our analysis sheds light on recent observations of chimera states in laser arrays, chemical oscillators, and mechanical pendula.

Embedding a State Space Model Into a Markov Decision Process

DEFF Research Database (Denmark)

Nielsen, Lars Relund; Jørgensen, Erik; Højsgaard, Søren

2011-01-01

In agriculture Markov decision processes (MDPs) with finite state and action space are often used to model sequential decision making over time. For instance, states in the process represent possible levels of traits of the animal and transition probabilities are based on biological models...

A Closed-Loop Model of Operator Visual Attention, Situation Awareness, and Performance Across Automation Mode Transitions.

Science.gov (United States)

Johnson, Aaron W; Duda, Kevin R; Sheridan, Thomas B; Oman, Charles M

2017-03-01

This article describes a closed-loop, integrated human-vehicle model designed to help understand the underlying cognitive processes that influenced changes in subject visual attention, mental workload, and situation awareness across control mode transitions in a simulated human-in-the-loop lunar landing experiment. Control mode transitions from autopilot to manual flight may cause total attentional demands to exceed operator capacity. Attentional resources must be reallocated and reprioritized, which can increase the average uncertainty in the operator's estimates of low-priority system states. We define this increase in uncertainty as a reduction in situation awareness. We present a model built upon the optimal control model for state estimation, the crossover model for manual control, and the SEEV (salience, effort, expectancy, value) model for visual attention. We modify the SEEV attention executive to direct visual attention based, in part, on the uncertainty in the operator's estimates of system states. The model was validated using the simulated lunar landing experimental data, demonstrating an average difference in the percentage of attention ≤3.6% for all simulator instruments. The model's predictions of mental workload and situation awareness, measured by task performance and system state uncertainty, also mimicked the experimental data. Our model supports the hypothesis that visual attention is influenced by the uncertainty in system state estimates. Conceptualizing situation awareness around the metric of system state uncertainty is a valuable way for system designers to understand and predict how reallocations in the operator's visual attention during control mode transitions can produce reallocations in situation awareness of certain states.

Transitions between states of labor-force participation among older Israelis.

Science.gov (United States)

Achdut, Leah; Tur-Sinai, Aviad; Troitsky, Rita

2015-03-01

The study examines the labor-force behavior of Israelis at older ages, focusing on the determinants of the transitions between states of labor-force participation between 2005 and 2010. The study uses panel data from the first two waves of the SHARE-Israel longitudinal survey. A multinomial logit model is used to examine the impact of sociodemographic characteristics, health state, and economic resources on labor-force transitions of people aged 50-67. The results emphasize the role of age and poor health in "pushing" older people out of the labor force or "keeping" them there. Spouse's participation is found to encourage individuals to leave the labor force or to refrain from joining it. However, living with a participating spouse is negatively associated with staying out of the labor force, consistent with the dominance of the complementarity of leisure effect found in the literature. Wealth as an economic resource available to individuals for retirement is also found to encourage individuals to leave the labor force or to refrain from joining it.

Time-dependent structural transformation analysis to high-level Petri net model with active state transition diagram

Directory of Open Access Journals (Sweden)

Saito Ayumu

2010-04-01

Full Text Available Abstract Background With an accumulation of in silico data obtained by simulating large-scale biological networks, a new interest of research is emerging for elucidating how living organism functions over time in cells. Investigating the dynamic features of current computational models promises a deeper understanding of complex cellular processes. This leads us to develop a method that utilizes structural properties of the model over all simulation time steps. Further, user-friendly overviews of dynamic behaviors can be considered to provide a great help in understanding the variations of system mechanisms. Results We propose a novel method for constructing and analyzing a so-called active state transition diagram (ASTD by using time-course simulation data of a high-level Petri net. Our method includes two new algorithms. The first algorithm extracts a series of subnets (called temporal subnets reflecting biological components contributing to the dynamics, while retaining positive mathematical qualities. The second one creates an ASTD composed of unique temporal subnets. ASTD provides users with concise information allowing them to grasp and trace how a key regulatory subnet and/or a network changes with time. The applicability of our method is demonstrated by the analysis of the underlying model for circadian rhythms in Drosophila. Conclusions Building ASTD is a useful means to convert a hybrid model dealing with discrete, continuous and more complicated events to finite time-dependent states. Based on ASTD, various analytical approaches can be applied to obtain new insights into not only systematic mechanisms but also dynamics.

[Modeling asthma evolution by a multi-state model].

Science.gov (United States)

Boudemaghe, T; Daurès, J P

2000-06-01

There are many scores for the evaluation of asthma. However, most do not take into account the evolutionary aspects of this illness. We propose a model for the clinical course of asthma by a homogeneous Markov model process based on data provided by the A.R.I.A. (Association de Recherche en Intelligence Artificielle dans le cadre de l'asthme et des maladies respiratoires). The criterion used is the activity of the illness during the month before consultation. The activity is divided into three levels: light (state 1), mild (state 2) and severe (state 3). The model allows the evaluation of the strength of transition between states. We found that strong intensities were implicated towards state 2 (lambda(12) and lambda(32)), less towards state 1 (lambda(21) and lambda(31)), and minimum towards state 3 (lambda(23)). This results in an equilibrium distribution essentially divided between state 1 and 2 (44.6% and 51.0% respectively) with a small proportion in state 3 (4.4%). In the future, the increasing amount of available data should permit the introduction of covariables, the distinction of subgroups and the implementation of clinical studies. The interest of this model falls within the domain of the quantification of the illness as well as the representation allowed thereof, while offering a formal framework for the clinical notion of time and evolution.

Magnetic transition phase diagram of cobalt clusters electrodeposited on HOPG: Experimental and micromagnetic modelling study

Energy Technology Data Exchange (ETDEWEB)

Rivera, M., E-mail: mrivera@fisica.unam.m [Imperial College London, Department of Chemistry, South Kensington Campus, London SW7 2AZ (United Kingdom); Rios-Reyes, C.H. [Universidad Autonoma Metropolitana-Azcapotzalco, Departamento de Materiales, Av. San Pablo 180, Col. Reynosa Tamaulipas, C.P. 02200, Mexico D.F. (Mexico); Universidad Autonoma del Estado de Hidalgo, Centro de Investigaciones Quimicas, Mineral de la Reforma, Hidalgo, C.P. 42181 (Mexico); Mendoza-Huizar, L.H. [Universidad Autonoma del Estado de Hidalgo, Centro de Investigaciones Quimicas, Mineral de la Reforma, Hidalgo, C.P. 42181 (Mexico)

2011-04-15

The magnetic transition from mono- to multidomain magnetic states of cobalt clusters electrodeposited on highly oriented pyrolytic graphite electrodes was studied experimentally using Magnetic Force Microscopy. From these images, it was found that the critical size of the magnetic transition is dominated by the height rather than the diameter of the aggregate. This experimental behavior was found to be consistent with a theoretical single-domain ferromagnetic model that states that a critical height limits the monodomain state. By analyzing the clusters magnetic states as a function of their dimensions, magnetic exchange constant and anisotropy value were obtained and used to calculate other magnetic properties such as the exchange length, magnetic wall thickness, etc. Finally, a micromagnetic simulation study correctly predicted the experimental magnetic transition phase diagram. - Research highlights: > Electrodeposition of cobalt clusters. > Mono to multidomain magnetic transition. > Magnetic phase diagram.

Magnetic transition phase diagram of cobalt clusters electrodeposited on HOPG: Experimental and micromagnetic modelling study

International Nuclear Information System (INIS)

Rivera, M.; Rios-Reyes, C.H.; Mendoza-Huizar, L.H.

2011-01-01

The magnetic transition from mono- to multidomain magnetic states of cobalt clusters electrodeposited on highly oriented pyrolytic graphite electrodes was studied experimentally using Magnetic Force Microscopy. From these images, it was found that the critical size of the magnetic transition is dominated by the height rather than the diameter of the aggregate. This experimental behavior was found to be consistent with a theoretical single-domain ferromagnetic model that states that a critical height limits the monodomain state. By analyzing the clusters magnetic states as a function of their dimensions, magnetic exchange constant and anisotropy value were obtained and used to calculate other magnetic properties such as the exchange length, magnetic wall thickness, etc. Finally, a micromagnetic simulation study correctly predicted the experimental magnetic transition phase diagram. - Research highlights: → Electrodeposition of cobalt clusters. →Mono to multidomain magnetic transition. → Magnetic phase diagram.

New development of the projected shell model and description of low-lying collective states in transitional nuclei

International Nuclear Information System (INIS)

Chen, F. Q.; Sun, Y.

2013-01-01

Description of the interplay between different nuclear shapes is an interesting but challenging problem. The original projected shell model (PSM) is applicable to nuclei with fixed shapes. We extend the PSM by superimposing (angular-momentum- and particle-number-) projected product wave functions in the spirit of the generate coordinate method. With this development, the Gd isotopes across the N = 90 region are studied, and the results indicate spectroscopic features of shape phase transition with varying neutron number. In order to illustrate the shape distribution in microscopic wave functions, we introduce a deformation representation and show that the collectively excited K π = 0 + states in the Gd isotopes have characters of shape vibration. (authors)

Cyclic electron flow is redox-controlled but independent of state transition.

Science.gov (United States)

Takahashi, Hiroko; Clowez, Sophie; Wollman, Francis-André; Vallon, Olivier; Rappaport, Fabrice

2013-01-01

Photosynthesis is the biological process that feeds the biosphere with reduced carbon. The assimilation of CO2 requires the fine tuning of two co-existing functional modes: linear electron flow, which provides NADPH and ATP, and cyclic electron flow, which only sustains ATP synthesis. Although the importance of this fine tuning is appreciated, its mechanism remains equivocal. Here we show that cyclic electron flow as well as formation of supercomplexes, thought to contribute to the enhancement of cyclic electron flow, are promoted in reducing conditions with no correlation with the reorganization of the thylakoid membranes associated with the migration of antenna proteins towards Photosystems I or II, a process known as state transition. We show that cyclic electron flow is tuned by the redox power and this provides a mechanistic model applying to the entire green lineage including the vast majority of the cases in which state transition only involves a moderate fraction of the antenna.

Molecular dynamics simulations from putative transition states of alpha-spectrin SH3 domain

NARCIS (Netherlands)

Periole, Xavier; Vendruscolo, Michele; Mark, Alan E.

2007-01-01

A series of molecular dynamics simulations in explicit solvent were started from nine structural models of the transition state of the SH3 domain of alpha-spectrin, which were generated by Lindorff Larsen et al. (Nat Struct Mol Biol 2004;11:443-449) using molecular dynamics simulations in which

Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions

International Nuclear Information System (INIS)

Nedialkova, Lilia V.; Amat, Miguel A.; Kevrekidis, Ioannis G.; Hummer, Gerhard

2014-01-01

Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space

Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions

Energy Technology Data Exchange (ETDEWEB)

Nedialkova, Lilia V.; Amat, Miguel A. [Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544 (United States); Kevrekidis, Ioannis G., E-mail: yannis@princeton.edu, E-mail: gerhard.hummer@biophys.mpg.de [Department of Chemical and Biological Engineering and Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544 (United States); Hummer, Gerhard, E-mail: yannis@princeton.edu, E-mail: gerhard.hummer@biophys.mpg.de [Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Max-von-Laue-Str. 3, 60438 Frankfurt am Main (Germany)

2014-09-21

Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space.

Phase transitions in two-dimensional uniformly frustrated XY models. I. antiferromagnetic model on a triangular lattice

International Nuclear Information System (INIS)

Korshunov, S.E.; Uimin, G.V.

1986-01-01

A most popular model in the family of two-dimensional uniformly-frustrated XY models is the antiferromagnetic model on a triangular lattice (AF XY(t) model). Its ground state is both continuously and twofold discretely degenerated. Different phase transitions possible in such systems are investigated. Relevant topological excitations are analyzed and a new class of such (vortices with a fractional number of circulation quanta) is discovered. Their role in determining the properties of the system proves itself essential. The characteristics of phase transitions related to breaking of discrete and continuous symmetries change. The phase diagram of the ''generalized'' AF XY(t) model is constructed. The results obtained are rederived in the representation of the Coulomb gas with half-interger charges, equivalent to the AF XY(t) model with the Berezinskii-Villain interaction

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

Science.gov (United States)

2010-07-01

... 31 Money and Finance: Treasury 3 2010-07-01 2010-07-01 false Transshipment or transit through United States prohibited. 560.406 Section 560.406 Money and Finance: Treasury Regulations Relating to... TRANSACTIONS REGULATIONS Interpretations § 560.406 Transshipment or transit through United States prohibited...

Artificial emotional model based on finite state machine

Institute of Scientific and Technical Information of China (English)

MENG Qing-mei; WU Wei-guo

2008-01-01

According to the basic emotional theory, the artificial emotional model based on the finite state machine(FSM) was presented. In finite state machine model of emotion, the emotional space included the basic emotional space and the multiple emotional spaces. The emotion-switching diagram was defined and transition function was developed using Markov chain and linear interpolation algorithm. The simulation model was built using Stateflow toolbox and Simulink toolbox based on the Matlab platform.And the model included three subsystems: the input one, the emotion one and the behavior one. In the emotional subsystem, the responses of different personalities to the external stimuli were described by defining personal space. This model takes states from an emotional space and updates its state depending on its current state and a state of its input (also a state-emotion). The simulation model realizes the process of switching the emotion from the neutral state to other basic emotions. The simulation result is proved to correspond to emotion-switching law of human beings.

Transition state theory for enzyme kinetics

Science.gov (United States)

Truhlar, Donald G.

2015-01-01

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

Edge states in the climate system: exploring global instabilities and critical transitions

Science.gov (United States)

Lucarini, Valerio; Bódai, Tamás

2017-07-01

Multistability is a ubiquitous feature in systems of geophysical relevance and provides key challenges for our ability to predict a system’s response to perturbations. Near critical transitions small causes can lead to large effects and—for all practical purposes—irreversible changes in the properties of the system. As is well known, the Earth climate is multistable: present astronomical and astrophysical conditions support two stable regimes, the warm climate we live in, and a snowball climate characterized by global glaciation. We first provide an overview of methods and ideas relevant for studying the climate response to forcings and focus on the properties of critical transitions in the context of both stochastic and deterministic dynamics, and assess strengths and weaknesses of simplified approaches to the problem. Following an idea developed by Eckhardt and collaborators for the investigation of multistable turbulent fluid dynamical systems, we study the global instability giving rise to the snowball/warm multistability in the climate system by identifying the climatic edge state, a saddle embedded in the boundary between the two basins of attraction of the stable climates. The edge state attracts initial conditions belonging to such a boundary and, while being defined by the deterministic dynamics, is the gate facilitating noise-induced transitions between competing attractors. We use a simplified yet Earth-like intermediate complexity climate model constructed by coupling a primitive equations model of the atmosphere with a simple diffusive ocean. We refer to the climatic edge states as Melancholia states and provide an extensive analysis of their features. We study their dynamics, their symmetry properties, and we follow a complex set of bifurcations. We find situations where the Melancholia state has chaotic dynamics. In these cases, we have that the basin boundary between the two basins of attraction is a strange geometric set with a nearly zero

The Ising model and its applications to a phase transition of biological interest

International Nuclear Information System (INIS)

Cabrera, G.G.; Stein-Barana, A.M.; Zuckermann, M.J.

1984-01-01

It is investigated a gel-liquid crystal phase transition employing a two-state model equivalent to the Spin 1/2 Ising Model with applied magnetic field. The model is studied from the standpoint of the cluster variational method of Kikuchi for cooperative phenomena. (M.W.O.) [pt

Noise-and delay-induced phase transitions of the dimer–monomer surface reaction model

International Nuclear Information System (INIS)

Zeng Chunhua; Wang Hua

2012-01-01

Highlights: ► We study the dimer–monomer surface reaction model. ► We show that noise induces first-order irreversible phase transition (IPT). ► Combination of noise and time-delayed feedback induce first- and second-order IPT. ► First- and second-order IPT is viewed as noise-and delay-induced phase transitions. - Abstract: The effects of noise and time-delayed feedback in the dimer–monomer (DM) surface reaction model are investigated. Applying small delay approximation, we construct a stochastic delayed differential equation and its Fokker–Planck equation to describe the state evolution of the DM reaction model. We show that the noise can only induce first-order irreversible phase transition (IPT) characteristic of the DM model, however the combination of the noise and time-delayed feedback can simultaneously induce first- and second-order IPT characteristics of the DM model. Therefore, it is shown that the well-known first- and second-order IPT characteristics of the DM model may be viewed as noise-and delay-induced phase transitions.

Quasiparticle-phonon model and quadrupole mixed-symmetry states of 96Ru

Directory of Open Access Journals (Sweden)

Stoyanov Ch.

2016-01-01

Full Text Available The structure of low-lying quadrupole states of 96Ru was calculated within the Quasiparticle-Phonon Model. It is shown that symmetric and mixed-symmetry properties manifest themselves via the structure of the excited states. The first 2+ state is collective and neutron and proton transition matrix elements Mn and Mp are in-phase, while the neutron and proton transition matrix elements Mn and Mp have opposite signs for the third 2+ state. This property of the third 2+ state leads to a large M1 transition between the first and third 2+ states. It is an unambigous demonstration of the mixed-symmetry nature of the third 2+ state. The structure of the first 1+ state is calculated. The state is a member of the two-phonon multiplet generated by the coupling of the [21+]QRPA and the [22+]QRPA states.

Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Arnold, Don Wesley [Univ. of California, Berkeley, CA (United States)

1994-08-01

Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O₃^-. A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO₂, has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO₂ molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO₂ reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C₂^- - C₁₁^-), and van der Waals clusters (X^-(CO₂)_n, X = I, Br, Cl; n {le} 13 and I^- (N₂O)_n=1--11). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X^-(CO₂)n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products.

Probing the transition state for nucleic acid hybridization using phi-value analysis.

Science.gov (United States)

Kim, Jandi; Shin, Jong-Shik

2010-04-27

Genetic regulation by noncoding RNA elements such as microRNA and small interfering RNA (siRNA) involves hybridization of a short single-stranded RNA with a complementary segment in a target mRNA. The physical basis of the hybridization process between the structured nucleic acids is not well understood primarily because of the lack of information about the transition-state structure. Here we use transition-state theory, inspired by phi-value analysis in protein folding studies, to provide quantitative analysis of the relationship between changes in the secondary structure stability and the activation free energy. Time course monitoring of the hybridization reaction was performed under pseudo-steady-state conditions using a single fluorophore. The phi-value analysis indicates that the native secondary structure remains intact in the transition state. The nativelike transition state was confirmed via examination of the salt dependence of the hybridization kinetics, indicating that the number of sodium ions associated with the transition state was not substantially affected by changes in the native secondary structure. These results propose that hybridization between structured nucleic acids undergoes a transition state leading to formation of a nucleation complex and then is followed by sequential displacement of preexisting base pairings involving successive small energy barriers. The proposed mechanism might provide new insight into physical processes during small RNA-mediated gene silencing, which is essential to selection of a target mRNA segment for siRNA design.

Metal-insulator transition and Frohlich conductivity in the Su-Schrieffer-Heeger model

NARCIS (Netherlands)

Michielsen, K.F L; de Raedt, H.A.

1996-01-01

A quantum molecular dynamics technique is used to study the single-particle density of states, Drude weight, optical conductivity and flux quantization in the Su-Schrieffer-Heeger (SSH) model. Our simulation data show that the SSH model has a metal-insulator transition away from half-filling. In the

Analytic properties of the Ruelle ζ-function for mean field models of phase transition

International Nuclear Information System (INIS)

Hallerberg, Sarah; Just, Wolfram; Radons, Guenter

2005-01-01

We evaluate by analytical means the Ruelle ζ-function for a spin model with global coupling. The implications of the ferromagnetic phase transitions for the analytical properties of the ζ-function are discussed in detail. In the paramagnetic phase the ζ-function develops a single branch point. In the low-temperature regime two branch points appear which correspond to the ferromagnetic state and the metastable state. The results are typical for any Ginsburg-Landau-type phase transition

A nonstationary Markov transition model for computing the relative risk of dementia before death

Science.gov (United States)

Yu, Lei; Griffith, William S.; Tyas, Suzanne L.; Snowdon, David A.; Kryscio, Richard J.

2010-01-01

This paper investigates the long-term behavior of the k-step transition probability matrix for a nonstationary discrete time Markov chain in the context of modeling transitions from intact cognition to dementia with mild cognitive impairment (MCI) and global impairment (GI) as intervening cognitive states. The authors derive formulas for the following absorption statistics: (1) the relative risk of absorption between competing absorbing states, and (2) the mean and variance of the number of visits among the transient states before absorption. Since absorption is not guaranteed, sufficient conditions are discussed to ensure that the substochastic matrix associated with transitions among transient states converges to zero in limit. Results are illustrated with an application to the Nun Study, a cohort of 678 participants, 75 to 107 years of age, followed longitudinally with up to ten cognitive assessments over a fifteen-year period. PMID:20087848

Dynamic transitions in a model of the hypothalamic-pituitary-adrenal axis

Science.gov (United States)

Čupić, Željko; Marković, Vladimir M.; Maćešić, Stevan; Stanojević, Ana; Damjanović, Svetozar; Vukojević, Vladana; Kolar-Anić, Ljiljana

2016-03-01

Dynamic properties of a nonlinear five-dimensional stoichiometric model of the hypothalamic-pituitary-adrenal (HPA) axis were systematically investigated. Conditions under which qualitative transitions between dynamic states occur are determined by independently varying the rate constants of all reactions that constitute the model. Bifurcation types were further characterized using continuation algorithms and scale factor methods. Regions of bistability and transitions through supercritical Andronov-Hopf and saddle loop bifurcations were identified. Dynamic state analysis predicts that the HPA axis operates under basal (healthy) physiological conditions close to an Andronov-Hopf bifurcation. Dynamic properties of the stress-control axis have not been characterized experimentally, but modelling suggests that the proximity to a supercritical Andronov-Hopf bifurcation can give the HPA axis both, flexibility to respond to external stimuli and adjust to new conditions and stability, i.e., the capacity to return to the original dynamic state afterwards, which is essential for maintaining homeostasis. The analysis presented here reflects the properties of a low-dimensional model that succinctly describes neurochemical transformations underlying the HPA axis. However, the model accounts correctly for a number of experimentally observed properties of the stress-response axis. We therefore regard that the presented analysis is meaningful, showing how in silico investigations can be used to guide the experimentalists in understanding how the HPA axis activity changes under chronic disease and/or specific pharmacological manipulations.

Modelling and numerical simulation of liquid-vapor phase transitions; Modelisation et simulation numerique des transitions de phase liquide-vapeur

Energy Technology Data Exchange (ETDEWEB)

Caro, F

2004-11-15

This work deals with the modelling and numerical simulation of liquid-vapor phase transition phenomena. The study is divided into two part: first we investigate phase transition phenomena with a Van Der Waals equation of state (non monotonic equation of state), then we adopt an alternative approach with two equations of state. In the first part, we study the classical viscous criteria for selecting weak solutions of the system used when the equation of state is non monotonic. Those criteria do not select physical solutions and therefore we focus a more recent criterion: the visco-capillary criterion. We use this criterion to exactly solve the Riemann problem (which imposes solving an algebraic scalar non linear equation). Unfortunately, this step is quite costly in term of CPU which prevent from using this method as a ground for building Godunov solvers. That is why we propose an alternative approach two equations of state. Using the least action principle, we propose a phase changing two-phase flow model which is based on the second thermodynamic principle. We shall then describe two equilibrium submodels issued from the relaxations processes when instantaneous equilibrium is assumed. Despite the weak hyperbolicity of the last sub-model, we propose stable numerical schemes based on a two-step strategy involving a convective step followed by a relaxation step. We show the ability of the system to simulate vapor bubbles nucleation. (author)

Digital herders and phase transition in a voting model

Energy Technology Data Exchange (ETDEWEB)

Hisakado, M [Standard and Poor' s, Marunouchi 1-6-5, Chiyoda ku, Tokyo 100-0005 (Japan); Mori, S, E-mail: masato_hisakado@standardandpoors.com, E-mail: mori@sci.kitasato-u.ac.jp [Department of Physics, School of Science, Kitasato University, Kitasato 1-15-1, Sagamihara, Kanagawa 228-8555 (Japan)

2011-07-08

In this paper, we discuss a voting model with two candidates, C{sub 1} and C{sub 2}. We set two types of voters-herders and independents. The voting of independent voters is based on their fundamental values; on the other hand, the voting of herders is based on the number of votes. Herders always select the majority of the previous r votes, which are visible to them. We call them digital herders. We can accurately calculate the distribution of votes for special cases. When r {>=} 3, we find that a phase transition occurs at the upper limit of t, where t is the discrete time (or number of votes). As the fraction of herders increases, the model features a phase transition beyond which a state where most voters make the correct choice coexists with one where most of them are wrong. On the other hand, when r < 3, there is no phase transition. In this case, the herders' performance is the same as that of the independent voters. Finally, we recognize the behavior of human beings by conducting simple experiments.

Digital herders and phase transition in a voting model

International Nuclear Information System (INIS)

Hisakado, M; Mori, S

2011-01-01

In this paper, we discuss a voting model with two candidates, C 1 and C 2 . We set two types of voters-herders and independents. The voting of independent voters is based on their fundamental values; on the other hand, the voting of herders is based on the number of votes. Herders always select the majority of the previous r votes, which are visible to them. We call them digital herders. We can accurately calculate the distribution of votes for special cases. When r ≥ 3, we find that a phase transition occurs at the upper limit of t, where t is the discrete time (or number of votes). As the fraction of herders increases, the model features a phase transition beyond which a state where most voters make the correct choice coexists with one where most of them are wrong. On the other hand, when r < 3, there is no phase transition. In this case, the herders' performance is the same as that of the independent voters. Finally, we recognize the behavior of human beings by conducting simple experiments.

Quantitative chemical state XPS analysis of first row transition metals, oxides and hydroxides

International Nuclear Information System (INIS)

Biesinger, M C; Payne, B P; McIntryre, N S; Hart, B R; Lau, L Wm; Grosvenor, A P; Smart, R StC

2008-01-01

Practical quantitative chemical state X-ray photoelectron spectroscopy (XPS) analysis of first row transition metals, oxides and hydroxides is challenging due to the complexity of their M 2p spectra. Complex multiplet splitting, shake-up and plasmon loss structure can play a role in the interpretation of the chemical states present. This paper will show practical curve fitting procedures for the quantitative measurement of different chemical states for metal oxides and hydroxides from a survey of transition metals. It will also discuss some of the limitations and pitfalls present as well as give practical examples of their successful use. These curve-fitting procedures are based on 1) standard spectra from quality reference samples, 2) a survey of appropriate literature databases and/or a compilation of literature references, 3) fitting of multiplet split spectra based on spectra of numerous reference materials and theoretical modelling, 4) spectral subtractions routines, again using reference spectra, and 5) specific literature references where fitting procedures are available

Quantitative chemical state XPS analysis of first row transition metals, oxides and hydroxides

Energy Technology Data Exchange (ETDEWEB)

Biesinger, M C; Payne, B P; McIntryre, N S [Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Hart, B R; Lau, L Wm [Surface Science Western, Room G1, Western Science Centre, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Grosvenor, A P [Department of Chemistry, Gunning/Lemieux Chemistry Centre, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada); Smart, R StC [ACeSSS, Applied Centre for Structural and Synchrotron Studies, University of South Australia, Mawson Lakes, SA 5095 (Australia)], E-mail: biesingr@uwo.ca

2008-03-15

Practical quantitative chemical state X-ray photoelectron spectroscopy (XPS) analysis of first row transition metals, oxides and hydroxides is challenging due to the complexity of their M 2p spectra. Complex multiplet splitting, shake-up and plasmon loss structure can play a role in the interpretation of the chemical states present. This paper will show practical curve fitting procedures for the quantitative measurement of different chemical states for metal oxides and hydroxides from a survey of transition metals. It will also discuss some of the limitations and pitfalls present as well as give practical examples of their successful use. These curve-fitting procedures are based on 1) standard spectra from quality reference samples, 2) a survey of appropriate literature databases and/or a compilation of literature references, 3) fitting of multiplet split spectra based on spectra of numerous reference materials and theoretical modelling, 4) spectral subtractions routines, again using reference spectra, and 5) specific literature references where fitting procedures are available.

Formation of a Ξ-hypernucleus and transitions to double-Λ states

International Nuclear Information System (INIS)

Ikeda, Kiyomi; Takahashi, Miho; Fukuda, Tomokazu; Motoba, Toshio; Yamamoto, Yasuo.

1993-06-01

A scenario is given for the formation of Ξ - states and the transitions to states with double-Λ in anticipation of observations, especially in the KEK-E224 experiment. First, the production cross sections of Ξ - hypernuclear states by (K - , K + ) reactions are calculated within the framework of the distorted-wave impulse approximation. Next, the transition rates from Ξ - hypernuclear states to possible double-Λ states are obtained, which are closely related to single- and double-Λ emissions after the Ξ - p→ΛΛ conversion in nuclei. (author)

Allosteric transitions of supramolecular systems explored by network models: application to chaperonin GroEL.

Directory of Open Access Journals (Sweden)

Zheng Yang

2009-04-01

Full Text Available Identification of pathways involved in the structural transitions of biomolecular systems is often complicated by the transient nature of the conformations visited across energy barriers and the multiplicity of paths accessible in the multidimensional energy landscape. This task becomes even more challenging in exploring molecular systems on the order of megadaltons. Coarse-grained models that lend themselves to analytical solutions appear to be the only possible means of approaching such cases. Motivated by the utility of elastic network models for describing the collective dynamics of biomolecular systems and by the growing theoretical and experimental evidence in support of the intrinsic accessibility of functional substates, we introduce a new method, adaptive anisotropic network model (aANM, for exploring functional transitions. Application to bacterial chaperonin GroEL and comparisons with experimental data, results from action minimization algorithm, and previous simulations support the utility of aANM as a computationally efficient, yet physically plausible, tool for unraveling potential transition pathways sampled by large complexes/assemblies. An important outcome is the assessment of the critical inter-residue interactions formed/broken near the transition state(s, most of which involve conserved residues.

Using multi-state markov models to identify credit card risk

Directory of Open Access Journals (Sweden)

Daniel Evangelista Régis

2016-06-01

Full Text Available Abstract The main interest of this work is to analyze the application of multi-state Markov models to evaluate credit card risk by investigating the characteristics of different state transitions in client-institution relationships over time, thereby generating score models for various purposes. We also used logistic regression models to compare the results with those obtained using multi-state Markov models. The models were applied to an actual database of a Brazilian financial institution. In this application, multi-state Markov models performed better than logistic regression models in predicting default risk, and logistic regression models performed better in predicting cancellation risk.

Spin-glass-like transition in the majority-vote model with anticonformists

Science.gov (United States)

Krawiecki, Andrzej

2018-03-01

Majority-vote model on scale-free networks and random graphs is investigated in which a randomly chosen fraction p of agents (called anticonformists) follows an antiferromagnetic update rule, i.e., they assume, with probability governed by a parameter q (0 transition from a disordered (paramagnetic) state to a spin-glass-like state, characterized by a non-zero value of the spin-glass order parameter measuring the overlap of agents' opinions in two replicas of the system, and simultaneously by the magnetization close to zero. In the case of the model on scale-free networks the critical value of the parameter q weakly depends on the details of the degree distribution. As p is decreased, the critical value of q falls quickly to zero and only the disordered phase is observed. On the other hand, for p close to zero for decreasing q the usual ferromagnetic transition is observed.

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

Science.gov (United States)

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.

Correlation-based Transition Modeling for External Aerodynamic Flows

Science.gov (United States)

Medida, Shivaji

Conventional turbulence models calibrated for fully turbulent boundary layers often over-predict drag and heat transfer on aerodynamic surfaces with partially laminar boundary layers. A robust correlation-based model is developed for use in Reynolds-Averaged Navier-Stokes simulations to predict laminar-to-turbulent transition onset of boundary layers on external aerodynamic surfaces. The new model is derived from an existing transition model for the two-equation k-omega Shear Stress Transport (SST) turbulence model, and is coupled with the one-equation Spalart-Allmaras (SA) turbulence model. The transition model solves two transport equations for intermittency and transition momentum thickness Reynolds number. Experimental correlations and local mean flow quantities are used in the model to account for effects of freestream turbulence level and pressure gradients on transition onset location. Transition onset is triggered by activating intermittency production using a vorticity Reynolds number criterion. In the new model, production and destruction terms of the intermittency equation are modified to improve consistency in the fully turbulent boundary layer post-transition onset, as well as ensure insensitivity to freestream eddy viscosity value specified in the SA model. In the original model, intermittency was used to control production and destruction of turbulent kinetic energy. Whereas, in the new model, only the production of eddy viscosity in SA model is controlled, and the destruction term is not altered. Unlike the original model, the new model does not use an additional correction to intermittency for separation-induced transition. Accuracy of drag predictions are improved significantly with the use of the transition model for several two-dimensional single- and multi-element airfoil cases over a wide range of Reynolds numbers. The new model is able to predict the formation of stable and long laminar separation bubbles on low-Reynolds number airfoils that

Modeling texture transitions in cholesteric liquid crystal droplets

Science.gov (United States)

Selinger, Robin; Gimenez-Pinto, Vianney; Lu, Shin-Ying; Selinger, Jonathan; Konya, Andrew

2012-02-01

Cholesteric liquid crystals can be switched reversibly between planar and focal-conic textures, a property enabling their application in bistable displays, liquid crystal writing tablets, e-books, and color switching ``e-skins.'' To explore voltage-pulse induced switching in cholesteric droplets, we perform simulation studies of director dynamics in three dimensions. Electrostatics calculations are solved at each time step using an iterative relaxation method. We demonstrate that as expected, a low amplitude pulse drives the transition from planar to focal conic, while a high amplitude pulse drives the transition from focal conic back to the planar state. We use the model to explore the effects of droplet shape, aspect ratio, and anchoring conditions, with the goal of minimizing both response time and energy consumption.

The first observation of EO transitions from negative parity states in even-even nucleus 160Dy

International Nuclear Information System (INIS)

Grigoriev, E.P.

1988-01-01

In even-even deformed nuclei up to now EO-transitions were found only between the states of the same spin belonging to Κ π = O + rotational bands. There is no forbidenness for EO-transitions between states belonging to bands with any other quantum number Κ provided both initial and final states have the same J π Κ values. EO-transitions may depopulate odd-parity states. In odd nuclei β-vibrational states are identified by transition with EO-components. Here transitions also proceed between states with the same J π K numbers. Even-even nuclide 160 Dy is the first nucleus where the EO-transitions between odd-parity states have been found

Are rapid transitions between invasive and native species caused by alternative stable states, and does it matter?

Science.gov (United States)

Hansen, Gretchen J A; Ives, Anthony R; Vander Zanden, M Jake; Carpenter, Stephen R

2013-10-01

Rapid transitions in ecosystem structure, or regime shifts, are a hallmark of alternative stable states (ASS). However, regime shifts can occur even when feedbacks are not strong enough to cause ASS. We investigated the potential for ASS to explain transitions between dominance of an invasive species, rusty crayfish (Orconectes rusticus), and native sunfishes (Lepomis spp.) in northern Wisconsin (USA) lakes. A rapid transition from Lepomis to rusty crayfish dominance occurred as rusty crayfish invaded Trout Lake, and the reverse transition resulted from an eight-year experimental removal of rusty crayfish from Sparkling Lake. We fit a stage-structured population model of species interactions to 31 years of time-series data from each lake. The model identified water level as an important driver, with drought conditions reducing rusty crayfish recruitment and allowing Lepomis dominance. The maximum-likelihood parameter estimates of the negative interaction between rusty crayfish and Lepomis led to ASS in the model, where each species was capable of excluding the other within a narrow range of environmental conditions. However, uncertainty in parameter estimates made it impossible to exclude the potential that rapid transitions were caused by a simpler threshold response lacking alternative equilibria. Simulated forward and backward transitions between species dominance occurred at different environmental conditions (i.e., hysteresis), even when the parameters used for simulation did not predict ASS as a result of slow species responses to environmental drivers. Thus, ASS are possible, but by no means certain, explanations for rapid transitions in this system, and our results highlight the difficulties associated with distinguishing ASS from other types of threshold responses. However, whether regime shifts are caused by ASS may be relatively unimportant in this system, as the range of conditions over which transitions occur is narrow, and under most conditions, the

Ising percolation in a three-state majority vote model

Science.gov (United States)

Balankin, Alexander S.; Martínez-Cruz, M. A.; Gayosso Martínez, Felipe; Mena, Baltasar; Tobon, Atalo; Patiño-Ortiz, Julián; Patiño-Ortiz, Miguel; Samayoa, Didier

2017-02-01

In this Letter, we introduce a three-state majority vote model in which each voter adopts a state of a majority of its active neighbors, if exist, but the voter becomes uncommitted if its active neighbors are in a tie, or all neighbors are the uncommitted. Numerical simulations were performed on square lattices of different linear size with periodic boundary conditions. Starting from a random distribution of active voters, the model leads to a stable non-consensus state in which three opinions coexist. We found that the "magnetization" of the non-consensus state and the concentration of uncommitted voters in it are governed by an initial composition of system and are independent of the lattice size. Furthermore, we found that a configuration of the stable non-consensus state undergoes a second order percolation transition at a critical concentration of voters holding the same opinion. Numerical simulations suggest that this transition belongs to the same universality class as the Ising percolation. These findings highlight the effect of an updating rule for a tie between voter neighbors on the critical behavior of models obeying the majority vote rule whenever a strict majority exists.

A new stochastic cellular automaton model on traffic flow and its jamming phase transition

International Nuclear Information System (INIS)

Sakai, Satoshi; Nishinari, Katsuhiro; Iida, Shinji

2006-01-01

A general stochastic traffic cellular automaton (CA) model, which includes the slow-to-start effect and driver's perspective, is proposed in this paper. It is shown that this model includes well-known traffic CA models such as the Nagel-Schreckenberg model, the quick-start model and the slow-to-start model as specific cases. Fundamental diagrams of this new model clearly show metastable states around the critical density even when the stochastic effect is present. We also obtain analytic expressions of the phase transition curve in phase diagrams by using approximate flow-density relations at boundaries. These phase transition curves are in excellent agreement with numerical results

Population Screening for Hereditary Haemochromatosis in Australia: Construction and Validation of a State-Transition Cost-Effectiveness Model.

Science.gov (United States)

de Graaff, Barbara; Si, Lei; Neil, Amanda L; Yee, Kwang Chien; Sanderson, Kristy; Gurrin, Lyle C; Palmer, Andrew J

2017-03-01

HFE-associated haemochromatosis, the most common monogenic disorder amongst populations of northern European ancestry, is characterised by iron overload. Excess iron is stored in parenchymal tissues, leading to morbidity and mortality. Population screening programmes are likely to improve early diagnosis, thereby decreasing associated disease. Our aim was to develop and validate a health economics model of screening using utilities and costs from a haemochromatosis cohort. A state-transition model was developed with Markov states based on disease severity. Australian males (aged 30 years) and females (aged 45 years) of northern European ancestry were the target populations. The screening strategy was the status quo approach in Australia; the model was run over a lifetime horizon. Costs were estimated from the government perspective and reported in 2015 Australian dollars ($A); costs and quality-adjusted life-years (QALYs) were discounted at 5% annually. Model validity was assessed using goodness-of-fit analyses. Second-order Monte-Carlo simulation was used to account for uncertainty in multiple parameters. For validity, the model reproduced mortality, life expectancy (LE) and prevalence rates in line with published data. LE for C282Y homozygote males and females were 49.9 and 40.2 years, respectively, slightly lower than population rates. Mean (95% confidence interval) QALYS were 15.7 (7.7-23.7) for males and 14.4 (6.7-22.1) for females. Mean discounted lifetime costs for C282Y homozygotes were $A22,737 (3670-85,793) for males and $A13,840 (1335-67,377) for females. Sensitivity analyses revealed discount rates and prevalence had the greatest impacts on outcomes. We have developed a transparent, validated health economics model of C282Y homozygote haemochromatosis. The model will be useful to decision makers to identify cost-effective screening strategies.

Mixed-order phase transition in a one-dimensional model.

Science.gov (United States)

Bar, Amir; Mukamel, David

2014-01-10

We introduce and analyze an exactly soluble one-dimensional Ising model with long range interactions that exhibits a mixed-order transition, namely a phase transition in which the order parameter is discontinuous as in first order transitions while the correlation length diverges as in second order transitions. Such transitions are known to appear in a diverse classes of models that are seemingly unrelated. The model we present serves as a link between two classes of models that exhibit a mixed-order transition in one dimension, namely, spin models with a coupling constant that decays as the inverse distance squared and models of depinning transitions, thus making a step towards a unifying framework.

Finding possible transition states of defects in silicon-carbide and alpha-iron using the dimer method

CERN Document Server

Gao Fei; Weber, W J; Corrales, L R; Jonsson, H

2003-01-01

Energetic primary recoil atoms from ion implantation or fast neutron irradiation produce isolated point defects and clusters of both vacancies and interstitials. The migration energies and mechanisms for these defects are crucial to successful multiscale modeling of microstructural evolution during ion-implantation, thermal annealing, or under irradiation over long periods of time. The dimer method is employed to search for possible transition states of interstitials and small interstitial clusters in SiC and alpha-Fe. The method uses only the first derivatives of the potential energy to find saddle points without knowledge of the final state of the transition. In SiC, the possible migration pathway for the C interstitial is found to consist of the first neighbor jump via a Si site or second neighbor jump, but the relative probability for the second neighbor jump is very low. In alpha-Fe, the possible transition states are studied as a function of interstitial cluster size, and the lowest energy barriers corr...

Density of phonon-fracton states of disordered solids in the vicinity of percolation phase transitions

International Nuclear Information System (INIS)

Korzhenevskii, A.L.; Luzhkov, A.A.

1991-01-01

The development of a theory of phase transitions in disordered materials is still one of the central problems in solid-state physics. The model of a percolation phase transition plays the same role among the models put forward to account for phase transitions in disordered media as does the Ising model for second-order phase transitions in ideal crystals. In addition to the clear picture of the processes occurring in the course of a percolation phase transition, a scaling theory has been developed and various techniques have been used to calculate the critical exponents describing the thermodynamics of a medium in the vicinity of the percolation threshold. The authors adopt a field-theoretic approach in a study of acoustic properties of disordered solids undergoing percolation phase transitions characterized by h ∼ 1. Among these transitions they concentrate on the case with the simplest type of striction interaction when the solution of a stochastic vector differential equation of motion describing the behavior of an elastic medium in the critical region can be reduced to a scalar equation. The results of their calculations by the field renormalization group method confirmed the existence of the scaling relationships between the critical exponents and also the conclusion on the nature of short- and long-wavelength vibrations near the percolation threshold, which follow from phenomenological considerations of the scaling theory. The values of the upper critical dimensionality and of the critical exponents of the problem are shown to differ from the values applicable to percolation phase transitions characterized by h much-lt 1

Controlling Business Object States in Business Process Models to Support Compliance

OpenAIRE

Peņicina, L

2016-01-01

The doctoral thesis addresses the existing gap between business process models and states of business objects. Existing modelling methods such as BPMN and ArchiMate lack an explicitly declarative approach for capturing states of business objects and laws of state transitions. This gap hinders the compliance of business process models with regulations imposed internally or externally, and can result in potential legal problems for organizations. Also this g...

Accuracy of maximum likelihood estimates of a two-state model in single-molecule FRET

Energy Technology Data Exchange (ETDEWEB)

Gopich, Irina V. [Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892 (United States)

2015-01-21

Photon sequences from single-molecule Förster resonance energy transfer (FRET) experiments can be analyzed using a maximum likelihood method. Parameters of the underlying kinetic model (FRET efficiencies of the states and transition rates between conformational states) are obtained by maximizing the appropriate likelihood function. In addition, the errors (uncertainties) of the extracted parameters can be obtained from the curvature of the likelihood function at the maximum. We study the standard deviations of the parameters of a two-state model obtained from photon sequences with recorded colors and arrival times. The standard deviations can be obtained analytically in a special case when the FRET efficiencies of the states are 0 and 1 and in the limiting cases of fast and slow conformational dynamics. These results are compared with the results of numerical simulations. The accuracy and, therefore, the ability to predict model parameters depend on how fast the transition rates are compared to the photon count rate. In the limit of slow transitions, the key parameters that determine the accuracy are the number of transitions between the states and the number of independent photon sequences. In the fast transition limit, the accuracy is determined by the small fraction of photons that are correlated with their neighbors. The relative standard deviation of the relaxation rate has a “chevron” shape as a function of the transition rate in the log-log scale. The location of the minimum of this function dramatically depends on how well the FRET efficiencies of the states are separated.

A Learning State-Space Model for Image Retrieval

Directory of Open Access Journals (Sweden)

Lee Greg C

2007-01-01

Full Text Available This paper proposes an approach based on a state-space model for learning the user concepts in image retrieval. We first design a scheme of region-based image representation based on concept units, which are integrated with different types of feature spaces and with different region scales of image segmentation. The design of the concept units aims at describing similar characteristics at a certain perspective among relevant images. We present the details of our proposed approach based on a state-space model for interactive image retrieval, including likelihood and transition models, and we also describe some experiments that show the efficacy of our proposed model. This work demonstrates the feasibility of using a state-space model to estimate the user intuition in image retrieval.

Nuclear matter at high density: Phase transitions, multiquark states, and supernova outbursts

International Nuclear Information System (INIS)

Krivoruchenko, M. I.; Nadyozhin, D. K.; Rasinkova, T. L.; Simonov, Yu. A.; Trusov, M. A.; Yudin, A. V.

2011-01-01

Phase transition from hadronic matter to quark-gluon matter is discussed for various regimes of temperature and baryon number density. For small and medium densities, the phase transition is accurately described in the framework of the Field Correlation Method, whereas at high density predictions are less certain and leave room for the phenomenological models. We study formation of multiquark states (MQS) at zero temperature and high density. Relevant MQS components of the nuclear matter can be described using a previously developed formalism of the quark compound bags (QCB). Partialwave analysis of nucleon-nucleon scattering indicates the existence of 6QS which manifest themselves as poles of P matrix. In the framework of the QCB model, we formulate a self-consistent system of coupled equations for the nucleon and 6QS propagators in nuclear matter and the G matrix. The approach provides a link between high-density nuclear matter with the MQS components and the cumulative effect observed in reactions on the nuclei, which requires the admixture of MQS in the wave functions of nuclei kinematically. 6QS determines the natural scale of the density for a possible phase transition into theMQS phase of nuclear matter. Such a phase transition can lead to dynamic instability of newly born protoneutron stars and dramatically affect the dynamics of supernovae. Numerical simulations show that the phase transition may be a good remedy for the triggering supernova explosions in the spherically symmetric supernovamodels. A specific signature of the phase transition is an additional neutrino peak in the neutrino light curve. For a Galactic core-collapse supernova, such a peak could be resolved by the present neutrino detectors. The possibility of extracting the parameters of the phase of transition from observation of the neutrino signal is discussed also.

Nuclear matter at high density: Phase transitions, multiquark states, and supernova outbursts

Energy Technology Data Exchange (ETDEWEB)

Krivoruchenko, M. I.; Nadyozhin, D. K.; Rasinkova, T. L.; Simonov, Yu. A.; Trusov, M. A., E-mail: trusov@itep.ru; Yudin, A. V. [Institute for Theoretical and Experimental Physics (Russian Federation)

2011-03-15

Phase transition from hadronic matter to quark-gluon matter is discussed for various regimes of temperature and baryon number density. For small and medium densities, the phase transition is accurately described in the framework of the Field Correlation Method, whereas at high density predictions are less certain and leave room for the phenomenological models. We study formation of multiquark states (MQS) at zero temperature and high density. Relevant MQS components of the nuclear matter can be described using a previously developed formalism of the quark compound bags (QCB). Partialwave analysis of nucleon-nucleon scattering indicates the existence of 6QS which manifest themselves as poles of P matrix. In the framework of the QCB model, we formulate a self-consistent system of coupled equations for the nucleon and 6QS propagators in nuclear matter and the G matrix. The approach provides a link between high-density nuclear matter with the MQS components and the cumulative effect observed in reactions on the nuclei, which requires the admixture of MQS in the wave functions of nuclei kinematically. 6QS determines the natural scale of the density for a possible phase transition into theMQS phase of nuclear matter. Such a phase transition can lead to dynamic instability of newly born protoneutron stars and dramatically affect the dynamics of supernovae. Numerical simulations show that the phase transition may be a good remedy for the triggering supernova explosions in the spherically symmetric supernovamodels. A specific signature of the phase transition is an additional neutrino peak in the neutrino light curve. For a Galactic core-collapse supernova, such a peak could be resolved by the present neutrino detectors. The possibility of extracting the parameters of the phase of transition from observation of the neutrino signal is discussed also.

Change of State of a Dynamical Unit in the Transition of Coherence

International Nuclear Information System (INIS)

Yang Yan-Jin; Du Ru-Hai; Wang Sheng-Jun; Jin Tao; Qu Shi-Xian

2015-01-01

The change of state of one map in the network of nonlocal coupled logistic maps at the transition of coherence is studied. With the increase of coupling strength, the network dynamics transits from the incoherent state into the coherent state. In the process, the iteration of the map first changes from chaos to period state, then from periodic to chaotic state again. For the periodic doubling bifurcations, similar to an isolated map, the largest Lyapunov exponent tends to zero from a negative value. However, the states of coupled maps exhibit complex behavior rather than converge to a few fixed values. The behavior brings a new chimera state of coupled logistic maps. The bifurcation diagram is identical to the phase order of maps iterations. For the bifurcation between 1-band and multi-band chaos, the symmetry of chaotic bands emerges and the transition of the order of iteration direction occurs

Phase transitions in the $sdg$ interacting boson model

OpenAIRE

Van Isacker, P.; Bouldjedri, A.; Zerguine, S.

2009-01-01

19 pages, 5 figures, submitted to Nuclear Physics A; A geometric analysis of the $sdg$ interacting boson model is performed. A coherent-state is used in terms of three types of deformation: axial quadrupole ($\\beta_2$), axial hexadecapole ($\\beta_4$) and triaxial ($\\gamma_2$). The phase-transitional structure is established for a schematic $sdg$ hamiltonian which is intermediate between four dynamical symmetries of U(15), namely the spherical ${\\rm U}(5)\\otimes{\\rm U}(9)$, the (prolate and ob...

Phase Transitions of an Epidemic Spreading Model in Small-World Networks

Science.gov (United States)

Hua, Da-Yin; Gao, Ke

2011-06-01

We propose a modified susceptible-infected-refractory-susceptible (SIRS) model to investigate the global oscillations of the epidemic spreading in Watts—Strogatz (WS) small-world networks. It is found that when an individual immunity does not change or decays slowly in an immune period, the system can exhibit complex transition from an infecting stationary state to a large amplitude sustained oscillation or an absorbing state with no infection. When the immunity decays rapidly in the immune period, the transition to the global oscillation disappears and there is no oscillation. Furthermore, based on the spatio-temporal evolution patterns and the phase diagram, it is disclosed that a long immunity period takes an important role in the emergence of the global oscillation in small-world networks.

Modelling the energy transition in cities

Energy Technology Data Exchange (ETDEWEB)

Huber, Felix [Wuppertal Univ. (Germany). Dept. of Civil Engineering; Schwarze, Bjoern; Spiekermann, Klaus; Wegener, Michael [Spiekermann und Wegener Urban and Regional Research, Dortmund (Germany)

2013-09-01

The history of cities is a history of energy transitions. In the medieval city heating and cooking occurred with wood and peat. The growth of the industrial city in the 19th century was built on coal and electricity. The sprawling metropolis of the 20th century was made possible by oil and gas. How will the city of the 21st century look after the next energy transition from fossil to renewable energy? This paper reports on the extension of an urban land-use transport interaction model to a model of the energy transition in the Ruhr Area, a five-million agglomeration in Germany. The paper presents the planned model extensions and how they are to be integrated into the model and shows first preliminary results.

Gain control through divisive inhibition prevents abrupt transition to chaos in a neural mass model.

Science.gov (United States)

Papasavvas, Christoforos A; Wang, Yujiang; Trevelyan, Andrew J; Kaiser, Marcus

2015-09-01

Experimental results suggest that there are two distinct mechanisms of inhibition in cortical neuronal networks: subtractive and divisive inhibition. They modulate the input-output function of their target neurons either by increasing the input that is needed to reach maximum output or by reducing the gain and the value of maximum output itself, respectively. However, the role of these mechanisms on the dynamics of the network is poorly understood. We introduce a novel population model and numerically investigate the influence of divisive inhibition on network dynamics. Specifically, we focus on the transitions from a state of regular oscillations to a state of chaotic dynamics via period-doubling bifurcations. The model with divisive inhibition exhibits a universal transition rate to chaos (Feigenbaum behavior). In contrast, in an equivalent model without divisive inhibition, transition rates to chaos are not bounded by the universal constant (non-Feigenbaum behavior). This non-Feigenbaum behavior, when only subtractive inhibition is present, is linked to the interaction of bifurcation curves in the parameter space. Indeed, searching the parameter space showed that such interactions are impossible when divisive inhibition is included. Therefore, divisive inhibition prevents non-Feigenbaum behavior and, consequently, any abrupt transition to chaos. The results suggest that the divisive inhibition in neuronal networks could play a crucial role in keeping the states of order and chaos well separated and in preventing the onset of pathological neural dynamics.

A Conceptual Model for Leadership Transition

Science.gov (United States)

Manderscheid, Steven V.; Ardichvili, Alexandre

2008-01-01

The purpose of this study was to develop a model of leadership transition based on an integrative review of literature. The article establishes a compelling case for focusing on leadership transitions as an area for study and leadership development practitioner intervention. The proposed model in this study identifies important success factors…

The Nordic welfare model providing energy transition? A political geography approach to the EU RES directive

International Nuclear Information System (INIS)

Westholm, Erik; Beland Lindahl, Karin

2012-01-01

The EU Renewable Energy Strategy (RES) Directive requires that each member state obtain 20% of its energy supply from renewable sources by 2020. If fully implemented, this implies major changes in institutions, infrastructure, land use, and natural resource flows. This study applies a political geography perspective to explore the transition to renewable energy use in the heating and cooling segment of the Swedish energy system, 1980–2010. The Nordic welfare model, which developed mainly after the Second World War, required relatively uniform, standardized local and regional authorities functioning as implementation agents for national politics. Since 1980, the welfare orientation has gradually been complemented by competition politics promoting technological change, innovation, and entrepreneurship. This combination of welfare state organization and competition politics provided the dynamics necessary for energy transition, which occurred in a semi-public sphere of actors at various geographical scales. However, our analysis, suggest that this was partly an unintended policy outcome, since it was based on a welfare model with no significant energy aims. Our case study suggests that state organization plays a significant role, and that the EU RES Directive implementation will be uneven across Europe, reflecting various welfare models with different institutional pre-requisites for energy transition. - Highlights: ► We explore the energy transition in the heating/cooling sector in Sweden 1980–2000. ► The role of the state is studied from a political geography perspective. ► The changing welfare model offered the necessary institutional framework. ► Institutional arrangements stand out as central to explain the relative success. ► The use of renewables in EU member states will continue to vary significantly.

Identification of key residues for protein conformational transition using elastic network model.

Science.gov (United States)

Su, Ji Guo; Xu, Xian Jin; Li, Chun Hua; Chen, Wei Zu; Wang, Cun Xin

2011-11-07

Proteins usually undergo conformational transitions between structurally disparate states to fulfill their functions. The large-scale allosteric conformational transitions are believed to involve some key residues that mediate the conformational movements between different regions of the protein. In the present work, a thermodynamic method based on the elastic network model is proposed to predict the key residues involved in protein conformational transitions. In our method, the key functional sites are identified as the residues whose perturbations largely influence the free energy difference between the protein states before and after transition. Two proteins, nucleotide binding domain of the heat shock protein 70 and human/rat DNA polymerase β, are used as case studies to identify the critical residues responsible for their open-closed conformational transitions. The results show that the functionally important residues mainly locate at the following regions for these two proteins: (1) the bridging point at the interface between the subdomains that control the opening and closure of the binding cleft; (2) the hinge region between different subdomains, which mediates the cooperative motions between the corresponding subdomains; and (3) the substrate binding sites. The similarity in the positions of the key residues for these two proteins may indicate a common mechanism in their conformational transitions.

Spectroscopic parameters, vibrational levels, transition dipole moments and transition probabilities of the 9 low-lying states of the NCl+ cation

Science.gov (United States)

Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2018-03-01

This work calculates the potential energy curves of 9 Λ-S and 28 Ω states of the NCl+ cation. The technique employed is the complete active space self-consistent field method, which is followed by the internally contracted multireference configuration interaction approach with the Davidson correction. The Λ-S states are X2Π, 12Σ+, 14Π, 14Σ+, 14Σ-, 24Π, 14Δ, 16Σ+, and 16Π, which are yielded from the first two dissociation channels of NCl+ cation. The Ω states are generated from these Λ-S states. The 14Π, 14Δ, 16Σ+, and 16Π states are inverted with the spin-orbit coupling effect included. The 14Σ+, 16Σ+, and 16Π states are very weakly bound, whose well depths are only several-hundred cm- 1. One avoided crossing of PECs occurs between the 12Σ+ and 22Σ+ states. To improve the quality of potential energy curves, core-valence correlation and scalar relativistic corrections are included. The potential energies are extrapolated to the complete basis set limit. The spectroscopic parameters and vibrational levels are calculated. The transition dipole moments are computed. The Franck-Condon factors, Einstein coefficients, and radiative lifetimes of many transitions are determined. The spectroscopic approaches are proposed for observing these states according to the transition probabilities. The spin-orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The spectroscopic parameters, vibrational levels, transition dipole moments, as well as transition probabilities reported in this paper could be considered to be very reliable.

Evolutionary modelling of transitions to sustainable development

International Nuclear Information System (INIS)

Safarzynska, K.

2010-01-01

This thesis has examined how evolutionary economics can contribute to modelling the micromechanisms that underlie transitions towards sustainable development. In general, transitions are fundamental or structural system changes. They involve, or even require, escaping lock-in of dominant, environmentally unsustainable technologies, introducing major technical or social innovations, and changing prevailing social practices and structures. Due to the complexity of socioeconomic interactions, it is not always possible to identify, and thus target with appropriate policy instruments, causes of specific unsustainable patterns of behaviour. Formal modelling exercises can help improve our understanding of the interaction of various transition mechanisms which are otherwise difficult to grasp intuitively. They allow exploring effects of policy interventions in complex systems. However, existing models of transitions focus on social phenomena and seldom address economic problems. As opposed, mainstream (neoclassical) economic models of technological change do not account for social interactions, and changing heterogeneity of users and their perspectives - even though all of these can influence the direction of innovations and patterns of socio-technological development. Evolutionary economics offers an approach that goes beyond neoclassical economics - in the sense of employing more realistic assumptions regarding the behaviour and heterogeneity of consumers, firms and investors. It can complement current transition models by providing them with a better understanding of associated economic dynamics. In this thesis, formal models were proposed to illustrate the usefulness of a range of evolutionary-economic techniques for modelling transitions. Modelling exercises aimed to explain the core properties of socio-economic systems, such as lock-in, path-dependence, coevolution, group selection and recombinant innovation. The studies collected in this dissertation illustrate that

A Multi-State Physics Modeling approach for the reliability assessment of Nuclear Power Plants piping systems

International Nuclear Information System (INIS)

Di Maio, Francesco; Colli, Davide; Zio, Enrico; Tao, Liu; Tong, Jiejuan

2015-01-01

Highlights: • We model piping systems degradation of Nuclear Power Plants under uncertainty. • We use Multi-State Physics Modeling (MSPM) to describe a continuous degradation process. • We propose a Monte Carlo (MC) method for calculating time-dependent transition rates. • We apply MSPM to a piping system undergoing thermal fatigue. - Abstract: A Multi-State Physics Modeling (MSPM) approach is here proposed for degradation modeling and failure probability quantification of Nuclear Power Plants (NPPs) piping systems. This approach integrates multi-state modeling to describe the degradation process by transitions among discrete states (e.g., no damage, micro-crack, flaw, rupture, etc.), with physics modeling by (physic) equations to describe the continuous degradation process within the states. We propose a Monte Carlo (MC) simulation method for the evaluation of the time-dependent transition rates between the states of the MSPM. Accountancy is given for the uncertainty in the parameters and external factors influencing the degradation process. The proposed modeling approach is applied to a benchmark problem of a piping system of a Pressurized Water Reactor (PWR) undergoing thermal fatigue. The results are compared with those obtained by a continuous-time homogeneous Markov Chain Model

The democracy ochlocracy dictatorship transition in the Sznajd model and in the Ising model

Science.gov (United States)

Schneider, Johannes J.; Hirtreiter, Christian

2005-08-01

Since its introduction in 2000, the Sznajd model has been assumed to simulate a democratic community with two parties. The main flaw in this model is that a Sznajd system freezes in the long term in a non-democratic state, which can be either a dictatorship or a stalemate configuration. Here we show that the Sznajd model has better to be considered as a transition model, transferring a democratic system already at the beginning of a simulation via an ochlocratic scenario, i.e., a regime in which several mobs rule, to a dictatorship, thus reproducing the corresponding Aristotelian theory.

The transition probabilities of the reciprocity model

NARCIS (Netherlands)

Snijders, T.A.B.

1999-01-01

The reciprocity model is a continuous-time Markov chain model used for modeling longitudinal network data. A new explicit expression is derived for its transition probability matrix. This expression can be checked relatively easily. Some properties of the transition probabilities are given, as well

Observation of Hyperfine Transitions in Trapped Ground-State Antihydrogen

CERN Document Server

Olin, Arthur

2015-01-01

This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4~parts~in~$10^3$. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.

Observation of hyperfine transitions in trapped ground-state antihydrogen

Energy Technology Data Exchange (ETDEWEB)

Collaboration: A. Olin for the ALPHA Collaboration

2015-08-15

This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4 parts in 10{sup 3}. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.

Reversibility of magnetic field driven transition from electronic phase separation state to single-phase state in manganites: A microscopic view

Science.gov (United States)

Liu, Hao; Lin, Lingfang; Yu, Yang; Lin, Hanxuan; Zhu, Yinyan; Miao, Tian; Bai, Yu; Shi, Qian; Cai, Peng; Kou, Yunfang; Lan, Fanli; Wang, Wenbin; Zhou, Xiaodong; Dong, Shuai; Yin, Lifeng; Shen, Jian

2017-11-01

Electronic phase separation (EPS) is a common phenomenon in strongly correlated oxides. For colossal magnetoresistive (CMR) manganites, the EPS is so pronounced that not only does it govern the CMR behavior, but also raises a question whether EPS exists as a ground state for systems or a metastable state. While it has been well known that a magnetic field can drive the transition of the EPS state into a single-phase state in manganites, the reversibility of this transition is not well studied. In this work we use magnetic force microscopy (MFM) to directly visualize the reversibility of the field driven transition between the EPS state and the single-phase state at different temperatures. The MFM images correspond well with the global magnetic and transport property measurements, uncovering the underlying mechanism of the field driven transition between the EPS state and the single-phase state. We argue that EPS state is a consequence of system quenching whose response to an external magnetic field is governed by a local energy landscape.

The simplest classical models of topological transitions

International Nuclear Information System (INIS)

Konstantinov, M.Yu.

1983-01-01

It is shown that simplest classical models of topologigal transitions possess scalar singularity of curvature with a point carrier being a source of space-time incompleteness. It is also shown that the condition of energy dominance is broken near the topological transition, asymptotic behaviour of the curvature tensor (growth of curvature at approximation to the topological transition) and energy-momentum tensor of (breaking the condition of energy dominance) being a common property of the considered models and being completely determined by the type of topological transition

Optimal control of transitions between nonequilibrium steady states.

Directory of Open Access Journals (Sweden)

Patrick R Zulkowski

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

Dealing with selection bias in educational transition models

DEFF Research Database (Denmark)

Holm, Anders; Jæger, Mads Meier

2011-01-01

This paper proposes the bivariate probit selection model (BPSM) as an alternative to the traditional Mare model for analyzing educational transitions. The BPSM accounts for selection on unobserved variables by allowing for unobserved variables which affect the probability of making educational tr...... account for selection on unobserved variables and high-quality data are both required in order to estimate credible educational transition models.......This paper proposes the bivariate probit selection model (BPSM) as an alternative to the traditional Mare model for analyzing educational transitions. The BPSM accounts for selection on unobserved variables by allowing for unobserved variables which affect the probability of making educational...... transitions to be correlated across transitions. We use simulated and real data to illustrate how the BPSM improves on the traditional Mare model in terms of correcting for selection bias and providing credible estimates of the effect of family background on educational success. We conclude that models which...

Identifying transition rates of ionic channels via observations at a single state

CERN Document Server

Deng Ying Chun; Qian Min Ping; Feng Jian Feng

2003-01-01

We consider how to determine all transition rates of an ion channel when it can be described by a birth-death chain or a Markov chain on a star-graph with continuous time. It is found that all transition rates are uniquely determined by the distribution of its lifetime and death-time histograms at a single state. An algorithm to calculate the transition rates exactly, based on the statistics of the lifetime and death-time of the Markov chain at the state, is provided. Examples to illustrate how an ion channel activity is fully determined by the observation of a single state of the ion channel are included.

Identifying transition rates of ionic channels via observations at a single state

International Nuclear Information System (INIS)

Deng Yingchun; Peng Shenglun; Qian Minping; Feng Jianfeng

2003-01-01

We consider how to determine all transition rates of an ion channel when it can be described by a birth-death chain or a Markov chain on a star-graph with continuous time. It is found that all transition rates are uniquely determined by the distribution of its lifetime and death-time histograms at a single state. An algorithm to calculate the transition rates exactly, based on the statistics of the lifetime and death-time of the Markov chain at the state, is provided. Examples to illustrate how an ion channel activity is fully determined by the observation of a single state of the ion channel are included

Identifying transition rates of ionic channels via observations at a single state

Energy Technology Data Exchange (ETDEWEB)

Deng Yingchun [School of Mathematics, Peking University, Beijing (China); Peng Shenglun [School of Mathematics, Peking University, Beijing (China); Qian Minping [School of Mathematics, Peking University, Beijing (China); Feng Jianfeng [COGS, Sussex University, Brighton (United Kingdom)

2003-02-07

We consider how to determine all transition rates of an ion channel when it can be described by a birth-death chain or a Markov chain on a star-graph with continuous time. It is found that all transition rates are uniquely determined by the distribution of its lifetime and death-time histograms at a single state. An algorithm to calculate the transition rates exactly, based on the statistics of the lifetime and death-time of the Markov chain at the state, is provided. Examples to illustrate how an ion channel activity is fully determined by the observation of a single state of the ion channel are included.

Relation between quantum phase transitions and classical instability points in the pairing model

International Nuclear Information System (INIS)

Reis, Mauricio; Terra Cunha, M.O.; Oliveira, Adelcio C.; Nemes, M.C.

2005-01-01

A quantum phase transition, characterized by an accumulation of energy levels in the espectrum of the model, is associated with a qualitative change in the corresponding classical dynamic obtained upon generalized coherent states of angular momentum

The transition between energy efficient and energy inefficient states in Cameroon

International Nuclear Information System (INIS)

Adom, Philip Kofi

2016-01-01

I use a two-state (energy efficient/inefficient) Markov-switching dynamic model to study energy efficiency in Cameroon in a novel manner, employing yearly data covering 1971 to 2012. I find that the duration of an energy inefficient state is about twice as long as an energy efficient state, mainly due to fuel subsidies, low income, high corruption, regulatory inefficiencies, poorly developed infrastructure and undeveloped markets. To escape from an energy inefficient state a broad policy overhaul is needed. Trade liberalization and related growth policies together with the removal of fuel subsidies are useful, but insufficient policy measures; the results suggest that they should be combined with structural policies, aiming at institutional structure and investment in infrastructure. - Highlights: • I investigate the transition between energy efficient/inefficient states. • On the average, energy inefficient state persists more than energy efficient state. • The duration of energy inefficient state is about twice as long as energy efficient state. • Price, income and trade openness have distinct energy saving effect irrespective of state. • A broad policy overhaul is needed to escape the energy inefficient state.

Hysteretic transitions in the Kuramoto model with inertia.

Science.gov (United States)

Olmi, Simona; Navas, Adrian; Boccaletti, Stefano; Torcini, Alessandro

2014-10-01

We report finite-size numerical investigations and mean-field analysis of a Kuramoto model with inertia for fully coupled and diluted systems. In particular, we examine, for a gaussian distribution of the frequencies, the transition from incoherence to coherence for increasingly large system size and inertia. For sufficiently large inertia the transition is hysteretic, and within the hysteretic region clusters of locked oscillators of various sizes and different levels of synchronization coexist. A modification of the mean-field theory developed by Tanaka, Lichtenberg, and Oishi [Physica D 100, 279 (1997)] allows us to derive the synchronization curve associated to each of these clusters. We have also investigated numerically the limits of existence of the coherent and of the incoherent solutions. The minimal coupling required to observe the coherent state is largely independent of the system size, and it saturates to a constant value already for moderately large inertia values. The incoherent state is observable up to a critical coupling whose value saturates for large inertia and for finite system sizes, while in the thermodinamic limit this critical value diverges proportionally to the mass. By increasing the inertia the transition becomes more complex, and the synchronization occurs via the emergence of clusters of whirling oscillators. The presence of these groups of coherently drifting oscillators induces oscillations in the order parameter. We have shown that the transition remains hysteretic even for randomly diluted networks up to a level of connectivity corresponding to a few links per oscillator. Finally, an application to the Italian high-voltage power grid is reported, which reveals the emergence of quasiperiodic oscillations in the order parameter due to the simultaneous presence of many competing whirling clusters.

Quantum phase transitions in matrix product states of one-dimensional spin-1 chains

International Nuclear Information System (INIS)

Zhu Jingmin

2014-01-01

We present a new model of quantum phase transitions in matrix product systems of one-dimensional spin-1 chains and study the phases coexistence phenomenon. We find that in the thermodynamic limit the proposed system has three different quantum phases and by adjusting the control parameters we are able to realize any phase, any two phases equal coexistence and the three phases equal coexistence. At every critical point the physical quantities including the entanglement are not discontinuous and the matrix product system has long-range correlation and N-spin maximal entanglement. We believe that our work is helpful for having a comprehensive understanding of quantum phase transitions in matrix product states of one-dimensional spin chains and of certain directive significance to the preparation and control of one-dimensional spin lattice models with stable coherence and N-spin maximal entanglement. (author)

Antiferrodistortive phase transitions and ground state of PZT ceramics

International Nuclear Information System (INIS)

Pandey, Dhananjai

2013-01-01

The ground state of the technologically important Pb(Zr x Ti (1-x) )O 3 , commonly known as PZT, ceramics is currently under intense debate. The phase diagram of this material shows a morphotropic phase boundary (MPB) for x∼0.52 at 300K, across which a composition induced structural phase transition occurs leading to maximization of the piezoelectric properties. In search for the true ground state of the PZT in the MPB region, Beatrix Noheda and coworkers first discovered a phase transition from tetragonal (space group P4mm) to an M A type monoclinic phase (space group Cm) at low temperatures for x=0.52. Soon afterwards, we discovered yet another low temperature phase transition for the same composition in which the M A type (Cm) monoclinic phase transforms to another monoclinic phase with Cc space group. We have shown that the Cm to Cc phase transition is an antiferrodistortive (AFD) transition involving tilting of oxygen octahedra leading to unit cell doubling and causing appearance of superlattice reflections which are observable in the electron and neutron diffraction patterns only and not in the XRD patterns, as a result of which Noheda and coworkers missed the Cc phase in their synchrotron XRD studies at low temperatures. Our findings were confirmed by leading groups using neutron, TEM, Raman and high pressure diffraction studies. The first principles calculations also confirmed that the true ground state of PZT in the MPB region has Cc space group. However, in the last couple of years, the Cc space group of the ground state has become controversial with an alternative proposal of R3c as the space group of the ground state phase which is proposed to coexist with the metastable Cm phase. In order to resolve this controversy, we recently revisited the issue using pure PZT and 6% Sr 2+ substituted PZT, the latter samples show larger tilt angle on account of the reduction in the average cationic radius at the Pb 2+ site. Using high wavelength neutrons and high

Excited-state quantum phase transitions in systems with two degrees of freedom: II. Finite-size effects

Energy Technology Data Exchange (ETDEWEB)

Stránský, Pavel [Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague (Czech Republic); Macek, Michal [Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague (Czech Republic); Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, CT 06520-8120 (United States); Leviatan, Amiram [Racah Institute of Physics, The Hebrew University, 91904 Jerusalem (Israel); Cejnar, Pavel, E-mail: pavel.cejnar@mff.cuni.cz [Institute of Particle and Nuclear Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 18000 Prague (Czech Republic)

2015-05-15

This article extends our previous analysis Stránský et al. (2014) of Excited-State Quantum Phase Transitions (ESQPTs) in systems of dimension two. We focus on the oscillatory component of the quantum state density in connection with ESQPT structures accompanying a first-order ground-state transition. It is shown that a separable (integrable) system can develop rather strong finite-size precursors of ESQPT expressed as singularities in the oscillatory component of the state density. The singularities originate in effectively 1-dimensional dynamics and in some cases appear in multiple replicas with increasing excitation energy. Using a specific model example, we demonstrate that these precursors are rather resistant to proliferation of chaotic dynamics. - Highlights: • Oscillatory components of state density and spectral flow studied near ESQPTs. • Enhanced finite-size precursors of ESQPT caused by fully/partly separable dynamics. • These precursors appear due to criticality of a subsystem with lower dimension. • Separability-induced finite-size effects disappear in case of fully chaotic dynamics.

Tendency to occupy a statistically dominant spatial state of the flow as a driving force for turbulent transition.

Science.gov (United States)

Chekmarev, Sergei F

2013-03-01

The transition from laminar to turbulent fluid motion occurring at large Reynolds numbers is generally associated with the instability of the laminar flow. On the other hand, since the turbulent flow characteristically appears in the form of spatially localized structures (e.g., eddies) filling the flow field, a tendency to occupy such a structured state of the flow cannot be ruled out as a driving force for turbulent transition. To examine this possibility, we propose a simple analytical model that treats the flow as a collection of localized spatial structures, each of which consists of elementary cells in which the behavior of the particles (atoms or molecules) is uncorrelated. This allows us to introduce the Reynolds number, associating it with the ratio between the total phase volume for the system and that for the elementary cell. Using the principle of maximum entropy to calculate the most probable size distribution of the localized structures, we show that as the Reynolds number increases, the elementary cells group into the localized structures, which successfully explains turbulent transition and some other general properties of turbulent flows. An important feature of the present model is that a bridge between the spatial-statistical description of the flow and hydrodynamic equations is established. We show that the basic assumptions underlying the model, i.e., that the particles are indistinguishable and elementary volumes of phase space exist in which the state of the particles is uncertain, are involved in the derivation of the Navier-Stokes equation. Taking into account that the model captures essential features of turbulent flows, this suggests that the driving force for the turbulent transition is basically the same as in the present model, i.e., the tendency of the system to occupy a statistically dominant state plays a key role. The instability of the flow at high Reynolds numbers can then be a mechanism to initiate structural rearrangement of

Parameter optimization for transitions between memory states in small arrays of Josephson junctions

Energy Technology Data Exchange (ETDEWEB)

Rezac, Jacob D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science and Mathematics Division; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computing and Computational Sciences Directorate; Univ. of Delaware, Newark, DE (United States). Dept. of Mathematical Sciences; Imam, Neena [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computing and Computational Sciences Directorate; Braiman, Yehuda [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science and Mathematics Division; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computing and Computational Sciences Directorate; ; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Mechanical, Aerospace, and Biomedical Engineering

2017-01-11

Coupled arrays of Josephson junctions possess multiple stable zero voltage states. Such states can store information and consequently can be utilized for cryogenic memory applications. Basic memory operations can be implemented by sending a pulse to one of the junctions and studying transitions between the states. In order to be suitable for memory operations, such transitions between the states have to be fast and energy efficient. Here in this article we employed simulated annealing, a stochastic optimization algorithm, to study parameter optimization of array parameters which minimizes times and energies of transitions between specifically chosen states that can be utilized for memory operations (Read, Write, and Reset). Simulation results show that such transitions occur with access times on the order of 10–100 ps and access energies on the order of 10^-19–5×10^-18 J. Numerical simulations are validated with approximate analytical results.

Transit Car Performance Comparison, State-of-the-Art Car vs. PATCO Transit Car, NYCTA R-46, MBTA Silverbirds

Science.gov (United States)

1978-02-01

The first phase of this contract authorized the design, development, and demonstration of two State-Of-The-Art Cars (SOAC). This document reports on the gathering of comparative test data on existing in-service transit cars. The three transit cars se...

Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low-lying states of the CO+ cation

Science.gov (United States)

Xing, Wei; Shi, Deheng; Zhang, Jicai; Sun, Jinfeng; Zhu, Zunlue

2018-05-01

This paper calculates the potential energy curves of 21 Λ-S and 42 Ω states, which arise from the first two dissociation asymptotes of the CO+ cation. The calculations are conducted using the complete active space self-consistent field method, which is followed by the valence internally contracted multireference configuration interaction approach with the Davidson correction. To improve the reliability and accuracy of the potential energy curves, core-valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energies to the complete basis set limit are taken into account. The spectroscopic parameters and vibrational levels are determined. The spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is evaluated. To better study the transition probabilities, the transition dipole moments are computed. The Franck-Condon factors and Einstein coefficients of some emissions are calculated. The radiative lifetimes are determined for a number of vibrational levels of several states. The transitions between different Λ-S states are evaluated. Spectroscopic routines for observing these states are proposed. The spectroscopic parameters, vibrational levels, transition dipole moments, and transition probabilities reported in this paper can be considered to be very reliable and can be used as guidelines for detecting these states in an appropriate spectroscopy experiment, especially for the states that were very difficult to observe or were not detected in previous experiments.

Gain control through divisive inhibition prevents abrupt transition to chaos in a neural mass model

Science.gov (United States)

Papasavvas, Christoforos A.; Wang, Yujiang; Trevelyan, Andrew J.; Kaiser, Marcus

2016-01-01

Experimental results suggest that there are two distinct mechanisms of inhibition in cortical neuronal networks: subtractive and divisive inhibition. They modulate the input-output function of their target neurons either by increasing the input that is needed to reach maximum output or by reducing the gain and the value of maximum output itself, respectively. However, the role of these mechanisms on the dynamics of the network is poorly understood. We introduce a novel population model and numerically investigate the influence of divisive inhibition on network dynamics. Specifically, we focus on the transitions from a state of regular oscillations to a state of chaotic dynamics via period-doubling bifurcations. The model with divisive inhibition exhibits a universal transition rate to chaos (Feigenbaum behavior). In contrast, in an equivalent model without divisive inhibition, transition rates to chaos are not bounded by the universal constant (non-Feigenbaum behavior). This non-Feigenbaum behavior, when only subtractive inhibition is present, is linked to the interaction of bifurcation curves in the parameter space. Indeed, searching the parameter space showed that such interactions are impossible when divisive inhibition is included. Therefore, divisive inhibition prevents non-Feigenbaum behavior and, consequently, any abrupt transition to chaos. The results suggest that the divisive inhibition in neuronal networks could play a crucial role in keeping the states of order and chaos well separated and in preventing the onset of pathological neural dynamics. PMID:26465514

MODELING THE TRANSITION CURVE ON A LIMITED TERAIN

Directory of Open Access Journals (Sweden)

V. D. Borisenko

2017-04-01

Full Text Available Purpose. Further development of the method of geometric modelling of transition curves, which are placed between rectilinear and circular sections of railway tracks and are created in localities, the relief of which causes certain restrictions on the size of the transition curves of the railway track. Methodology. The equation of the transition curve is taken in parametric form, in which the length of the arc of the modelled curve is used as a parameter. As initial data in the modelling of the transition curve, the coordinates of its initial point and the angle of inclination in it are tangent, the radius of the circumference of the circular section and the parameter that is used as a constraint when placing a section of the railway track. The transition curve is modelled under the condition that the distribution of its curvature from the length of the arc - the natural parameter - is described by a cubic dependence. This dependence contains four unknown coefficients; the unknown is also the length of the arc. The coefficients of the cubic dependence and the length of the arc of the transition curve, the coordinates of its end point, the angle of inclination in it of the tangent are determined during the simulation of the transition curve. The application of boundary conditions and methods of differential geometry with respect to the distribution of the slope angle of the tangent to the simulated curve from the initial to the end points of the transition curve and the calculation of the coordinates of the end point of the curve allows us to reduce the problem of modelling the transition curve to determine the arc length of this curve. Directly the length of the transition curve is in the process of minimizing the deviation of the circumference of the circular path from its current value obtained when searching for the arc length. Findings. As a result of the computational experiment, the possibility of modelling a transition curve between a

Digital herders and phase transition in a voting model

Science.gov (United States)

Hisakado, M.; Mori, S.

2011-07-01

In this paper, we discuss a voting model with two candidates, C1 and C2. We set two types of voters—herders and independents. The voting of independent voters is based on their fundamental values; on the other hand, the voting of herders is based on the number of votes. Herders always select the majority of the previous r votes, which are visible to them. We call them digital herders. We can accurately calculate the distribution of votes for special cases. When r >= 3, we find that a phase transition occurs at the upper limit of t, where t is the discrete time (or number of votes). As the fraction of herders increases, the model features a phase transition beyond which a state where most voters make the correct choice coexists with one where most of them are wrong. On the other hand, when r independent voters. Finally, we recognize the behavior of human beings by conducting simple experiments.

Cosmological implications of the transition from the false vacuum to the true vacuum state

International Nuclear Information System (INIS)

Stachowski, Aleksander; Szydlowski, Marek; Urbanowski, Krzysztof

2017-01-01

We study cosmology with running dark energy. The energy density of dark energy is obtained from the quantum process of transition from the false vacuum state to the true vacuum state. We use the Breit-Wigner energy distribution function to model the quantum unstable systems and obtain the energy density of the dark energy parametrization ρ_d_e(t). We also use Krauss and Dent's idea linking properties of the quantum mechanical decay of unstable states with the properties of the observed Universe. In the cosmological model with this parametrization there is an energy transfer between dark matter and dark energy. The intensity of this process, measured by a parameter α, distinguishes two scenarios. As the Universe starts from the false vacuum state, for the small value of α (0 0.4 the density of the dark energy jumps down. In both cases the present value of the density of dark energy is reached. From a statistical analysis we find this model to be in good agreement with the astronomical data and practically indistinguishable from the ΛCDM model. (orig.)

Single-Column Model Simulations of Subtropical Marine Boundary-Layer Cloud Transitions Under Weakening Inversions

NARCIS (Netherlands)

Neggers, R.A.J.; Ackerman, Andrew S.; Angevine, W. M.; Bazile, Eric; Beau, I.; Blossey, P. N.; Boutle, I. A.; de Bruijn, C.; cheng, A; van der Dussen, J.J.; Fletcher, J.; Dal Gesso, S.; Jam, A.; Kawai, H; Cheedela, S. K.; Larson, V. E.; Lefebvre, Marie Pierre; Lock, A. P.; Meyer, N. R.; de Roode, S.R.; de Rooy, WC; Sandu, I; Xiao, H; Xu, K. M.

2017-01-01

Results are presented of the GASS/EUCLIPSE single-column model intercomparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate models for this cloud regime, using

VLBI OBSERVATION OF MICROQUASAR CYG X-3 DURING AN X-RAY STATE TRANSITION FROM SOFT TO HARD IN THE 2007 MAY-JUNE FLARE

Energy Technology Data Exchange (ETDEWEB)

Kim, Jeong-Sook; Kim, Sang Joon [School of Space Science, Kyunghee University, Seocheon-dong, Giheung-si, Gyeonggi-do 446-701 (Korea, Republic of); Kim, Soon-Wook [Korea Astronomy and Space Science Institute, 776 Daedeokdaero, Yuseong, Daejeon 305-348 (Korea, Republic of); Kurayama, Tomoharu [Graduate School of Science and Engineering, Kagoshima University, 1-21-35 Korimoto, Kagoshima, Kagoshima 890-0065 (Japan); Honma, Mareki [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Sasao, Tetsuo, E-mail: evony@kasi.re.kr, E-mail: skim@kasi.re.kr [Yaeyama Star Club, Ookawa, Ishigaki, Okinawa 904-0022 (Japan)

2013-07-20

We present a radio observation of microquasar Cyg X-3 during an X-ray state transition from ultrasoft to hard state in the 2007 May-June flare using the VLBI Exploration of Radio Astrometry at 22 GHz. During the transition, a short-lived mini-flare of {approx}< 3 hr was detected prior to the major flare. In such a transition, a jet ejection is believed to occur, but there have been no direct observations to support it. An analysis of Gaussian fits to the observed visibility amplitudes shows a time variation of the source axis, or a structural change, during the mini-flare. Our model fits, together with other multiwavelength observations in the radio, soft, and hard X-rays, and the shock-in-jet models for other flaring activities at GHz wavebands, suggest a high possibility of synchrotron flares during the mini-flare, indicative of a predominant contribution from jet activity. Therefore, the mini-flare with an associated structural change is indicative of a jet ejection event in the state transition from ultrasoft to hard state.

Transitional millisecond pulsars in the low-level accretion state

Science.gov (United States)

Jaodard, Amruta D.; Hessels, Jason W. T.; Archibald, Anne; Bogdanov, Slavko; Deller, Adam; Hernandez Santisteban, Juan; Patruno, Alessandro; D'Angelo, Caroline; Bassa, Cees; Amruta Jaodand

2018-01-01

In the canonical pulsar recycling scenario, a slowly spinning neutron star can be rejuvenated to rapid spin rates by the transfer of angular momentum and mass from a binary companion star. Over the last decade, the discovery of three transitional millisecond pulsars (tMSPs) has allowed us to study recycling in detail. These systems transition between accretion-powered (X-ray) and rotation-powered (radio) pulsar states within just a few days, raising questions such as: what triggers the state transition, when does the recycling process truly end, and what will the radio pulsar’s final spin rate be? Systematic multi-wavelength campaigns over the last decade have provided critical insights: multi-year-long, low-level accretion states showing coherent X-ray pulsations; extremely stable, bi-modal X-ray light curves; outflows probed by radio continuum emission; a surprising gamma-ray brightening during accretion, etc. In my thesis I am trying to bring these clues together to understand the low-level accretion process that recycles a pulsar. For example, recently we timed PSR J1023+0038 in the accretion state and found it to be spinning down ~26% faster compared to the non-accreting radio pulsar state. We are currently conducting simultaneous multi-wavelength campaigns (XMM, HST, Kepler and VLA) to understand the global variability of the accretion flow, as well as high-energy Fermi-LAT observations to probe the gamma-ray emission mechanism. I will highlight these recent developments, while also presenting a broad overview of tMSPs as exciting new laboratories to test low-level accretion onto magnetized neutron stars.

Applications of neural networks to the studies of phase transitions of two-dimensional Potts models

Science.gov (United States)

Li, C.-D.; Tan, D.-R.; Jiang, F.-J.

2018-04-01

We study the phase transitions of two-dimensional (2D) Q-states Potts models on the square lattice, using the first principles Monte Carlo (MC) simulations as well as the techniques of neural networks (NN). We demonstrate that the ideas from NN can be adopted to study these considered phase transitions efficiently. In particular, even with a simple NN constructed in this investigation, we are able to obtain the relevant information of the nature of these phase transitions, namely whether they are first order or second order. Our results strengthen the potential applicability of machine learning in studying various states of matters. Subtlety of applying NN techniques to investigate many-body systems is briefly discussed as well.

Smooth transition from sudden to adiabatic states in heavy-ion fusion reactions at deep-subbarrier incident energies

International Nuclear Information System (INIS)

Takatoshi, Ichikawa; Kouichi, Hagino; Akira, Iwamoto

2011-01-01

We propose a novel extension of the standard coupled-channel (CC) model in order to account for the steep falloff of fusion cross sections at deep-subbarrier incident energies. We introduce a damping factor in the coupling potential in the CC model, simulating smooth transitions from sudden to adiabatic states in deep- subbarrier fusion reactions. The CC model extended with the damping factor can reproduce well not only the steep falloff of the fusion cross section but also the saturation of the logarithmic derivatives for the fusion cross sections at deep-subbarrier energies for the 16 O+ 208 Pb, 64 Ni+ 64 Ni, and 58 Ni+ 58 Ni reactions at the deep-subbarrier energies. The important point in our model is that the transition takes place at different places for each Eigen channel. We conclude that the smooth transition from the two-body to the adiabatic one-body potential is responsible for the steep falloff of the fusion cross section

On the quark structure of resonance states in dual models

International Nuclear Information System (INIS)

Volkov, D.V.; Zheltukhin, A.A.; Pashnev, A.I.

1975-01-01

It is shown using as an example the Veneziano dual model, that each particular dual model already contains a certain latent quark structure unambiauously determined by internal properties of the dual model. To prove this degeneration of the resonance state spectrum is studied by introducing an additional disturbing interaction into the model being considered. Induced transitions of particles into a vacuum act as such an additional disturbance. This method complements the known factorization method of Fubini, Gordon and Veneziano and turns out to be free from an essential limitation of the latter connected with implicit assumption about the basence of internal additive laws of conservation in the model. By using the method of induced transitions of particles into a vacuum it has been possible to show that the resonance state spectrum is indeed more degenerated than it should be expected from the factorization theorem, and that the supplementary degeneration corresponds to the quark model with an infinite number of quarks of the increasing mass. Structures of some terms of the dual amplitude expansion over the degrees of the constant of the induced transition of particles to vacuum are considered; it is shown that the summation of this expansion may be reduced to a solution of a certain integral equation. On the basis of the integral equation obtained an integral representation ofr dual amplitudes is established. The problems related with degeneration of resonance states and with determination of additive quantum numbers leading to the quark interpretation of the degeneration being considered are discussed

The transition between undiluted and oligomer-diluted states of nearly monodisperse polystyrenes in extensional flow

DEFF Research Database (Denmark)

Huang, Qian; Rasmussen, Henrik K.

2017-01-01

, proposed by Rasmussen and Huang (Rheol Acta 53(3):199–208 (2014a)), predicts the extensional viscosity well for the dilutions with lower concentrations. However, for the 70 and 90% 545 kg/mole samples which represent the transition between the diluted and undiluted states, the model predictions are less...

Dynamics of SARS-coronavirus HR2 domain in the prefusion and transition states

Science.gov (United States)

McReynolds, Susanna; Jiang, Shaokai; Rong, Lijun; Caffrey, Michael

2009-12-01

The envelope glycoproteins S1 and S2 of severe acute respiratory syndrome coronavirus (SARS-CoV) mediate viral entry by conformational change from a prefusion state to a postfusion state that enables fusion of the viral and target membranes. In this work we present the characterization of the dynamic properties of the SARS-CoV S2-HR2 domain (residues 1141-1193 of S) in the prefusion and newly discovered transition states by NMR 15N relaxation studies. The dynamic properties of the different states, which are stabilized under different experimental conditions, extend the current model of viral membrane fusion and give insight into the design of structure-based antagonists of SARS-CoV in particular, as well as other enveloped viruses such as HIV.

Thermal margin model for transition core of KSNP

International Nuclear Information System (INIS)

Nahm, Kee Yil; Lim, Jong Seon; Park, Sung Kew; Chun, Chong Kuk; Hwang, Sun Tack

2004-01-01

The PLUS7 fuel was developed with mixing vane grids for KSNP. For the transition core partly loaded with the PLUS7 fuels, the procedure to set up the optimum thermal margin model of the transition core was suggested by introducing AOPM concept into the screening method which determines the limiting assembly. According to the procedure, the optimum thermal margin model of the first transition core was set up by using a part of nuclear data for the first transition and the homogeneous core with PLUS7 fuels. The generic thermal margin model of PLUS7 fuel was generated with the AOPM of 138%. The overpower penalties on the first transition core were calculated to be 1.0 and 0.98 on the limiting assembly and the generic thermal margin model, respectively. It is not usual case to impose the overpower penalty on reload cores. It is considered that the lack of channel flow due to the difference of pressure drop between PLUS7 and STD fuels results in the decrease of DNBR. The AOPM of the first transition core is evaluated to be about 135% by using the optimum generic thermal margin model which involves the generic thermal margin model and the total overpower penalty. The STD fuel is not included among limiting assembly candidates in the second transition core, because they have much lower pin power than PLUS7 fuels. The reduced number of STD fuels near the limiting assembly candidates the flow from the limiting assembly to increase the thermal margin for the second transition core. It is expected that cycle specific overpower penalties increase the thermal margin for the transition core. Using the procedure to set up the optimum thermal margin model makes sure that the enhanced thermal margin of PLUS7 fuel can be sufficiently applied to not only the homogeneous core but also the transition core

Herd-Level Modeling and Steady-State Livestock Productivity ...

African Journals Online (AJOL)

... an outline of the scope for applications and addresses the prospects for refinement and model extensions. The algorithms for use in development of steady state derivations include transition of matrices in a Markov Chain approach, continuous differential equations and actuarial approach built on life and fecundity tables.

Prediction of monomer reactivity in radical copolymerizations from transition state quantum chemical descriptors

Directory of Open Access Journals (Sweden)

Zhengde Tan

2013-01-01

Full Text Available In comparison with the Q-e scheme, the Revised Patterns Scheme: the U, V Version (the U-V scheme has greatly improved both its accessibility and its accuracy in interpreting and predicting the reactivity of a monomer in free-radical copolymerizations. Quantitative structure-activity relationship (QSAR models were developed to predict the reactivity parameters u and v of the U-V scheme, by applying genetic algorithm (GA and support vector machine (SVM techniques. Quantum chemical descriptors used for QSAR models were calculated from transition state species with structures C¹H3 - C²HR³• or •C¹H2 - C²H2R³ (formed from vinyl monomers C¹H²=C²HR³ + H•, using density functional theory (DFT, at the UB3LYP level of theory with 6-31G(d basis set. The optimum support vector regression (SVR model of the reactivity parameter u based on Gaussian radial basis function (RBF kernel (C = 10, ε = 10- 5 and γ = 1.0 produced root-mean-square (rms errors for the training, validation and prediction sets being 0.220, 0.326 and 0.345, respectively. The optimal SVR model for v with the RBF kernel (C = 20, ε = 10- 4 and γ = 1.2 produced rms errors for the training set of 0.123, the validation set of 0.206 and the prediction set of 0.238. The feasibility of applying the transition state quantum chemical descriptors to develop SVM models for reactivity parameters u and v in the U-V scheme has been demonstrated.

Yang-Lee zeros for a Potts model of helix-coil transition with nontrivial topology

International Nuclear Information System (INIS)

Ananikian, N.; Ananikyan, L.; Artuso, R.; Sargsyan, K.

2007-07-01

The Yang-Lee partition function zeros of the Q-state Potts model on a zigzag ladder are studied by a transfer-matrix approach. This Q-state model has a non-trivial topology induced by three-site interactions on a zigzag ladder and is proposed as a description of helix-coil transition in homo-polymers. The Yang-Lee zeros are associated to complex values of the solvent-related coupling constant K (magnetic field) and they are exactly derived for arbitrary values of the system parameters: Q, J (coupling constant of hydrogen binding) and temperature. It is shown that there is only a quasi-phase transition for all temperatures. The densities of the Yang-Lee zeros are singular at the edge singularity points and the critical exponent σ = -1/2. (author)

Employment, Production and Consumption model: Patterns of phase transitions

Science.gov (United States)

Lavička, H.; Lin, L.; Novotný, J.

2010-04-01

We have simulated the model of Employment, Production and Consumption (EPC) using Monte Carlo. The EPC model is an agent based model that mimics very basic rules of industrial economy. From the perspective of physics, the nature of the interactions in the EPC model represents multi-agent interactions where the relations among agents follow the key laws for circulation of capital and money. Monte Carlo simulations of the stochastic model reveal phase transition in the model economy. The two phases are the phase with full unemployment and the phase with nearly full employment. The economy switches between these two states suddenly as a reaction to a slight variation in the exogenous parameter, thus the system exhibits strong non-linear behavior as a response to the change of the exogenous parameters.

The coherent state variational algorithm and the QCD deconfinement phase transition

International Nuclear Information System (INIS)

Somsky, W.R.

1989-01-01

This thesis describes the coherent state variational algorithm, its implementation in a recently completed set of computer programs, and its application to the study of the QCD deconfinement phase transition. The coherent state variational algorithm is a computational method for studying the large-N limit of non-abelian gauge theories by direct exploitation of the classical nature of this limit. Unlike Monte Carlo methods, this technique is applicable to both euclidean and hamiltonian formulations of lattice gauge theories and is deterministic, rather than statistical, in nature. The first part of this thesis presents the theoretical basis of the coherent state algorithm and describes the application of the algorithm, to non-abelian lattice gauge theories. The second part describes the symbolic methods involved in the computer implementation of the coherent state algorithm and gives an overview of the programs which form the full coherent state implementation. The final part of this thesis discusses the application of the coherent state algorithm to the study of the QCD deconfinement phase transition at large N. The results obtained are indicative of a second-order transition for lattices of temporal extent N ν = 1 and N τ = 2 in both three and four space-time dimensions

Densification and state transition across the Missouri Ozarks landscape

Science.gov (United States)

Brice B. Hanberry; John M. Kabrick; Hong S. He

2014-01-01

World-wide, some biomes are densifying, or increasing in dense woody vegetation, and shifting to alternative stable states. We quantified densification and state transition between forests ecosystems in historical (ca. 1815-1850) and current (2004-2008) surveys of the Missouri Ozark Highlands, a 5-million ha landscape in southern Missouri, USA. To estimate density of...

Systems Biology Approach and Mathematical Modeling for Analyzing Phase-Space Switch During Epithelial-Mesenchymal Transition.

Science.gov (United States)

Simeoni, Chiara; Dinicola, Simona; Cucina, Alessandra; Mascia, Corrado; Bizzarri, Mariano

2018-01-01

In this report, we aim at presenting a viable strategy for the study of Epithelial-Mesenchymal Transition (EMT) and its opposite Mesenchymal-Epithelial Transition (MET) by means of a Systems Biology approach combined with a suitable Mathematical Modeling analysis. Precisely, it is shown how the presence of a metastable state, that is identified at a mesoscopic level of description, is crucial for making possible the appearance of a phase transition mechanism in the framework of fast-slow dynamics for Ordinary Differential Equations (ODEs).

Transition-state theory predicts clogging at the microscale

Science.gov (United States)

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.

E1 transitions in the Harari quark model

International Nuclear Information System (INIS)

Kamath, S.G.

1976-10-01

The radiative decays psi(3.684)→γchi(sup(3)P sub(J)) and chi(sup(3)Psub(J)→chipsi(3.1) have been analyzed within the framework of the Harari quark model. The spatial matrix elements describing these L=1 to L=0 transitions have been estimated from the A 2 (1310)→ chirho(770) mode by applying U(6) symmetry at the quark level. The resulting decay widths, which compare very well with experimental data, have subsequently been used to determine the SU(3)sub(H) assignments for the chi states

Numerical simulation of transitional flow on a wind turbine airfoil with RANS-based transition model

Science.gov (United States)

Zhang, Ye; Sun, Zhengzhong; van Zuijlen, Alexander; van Bussel, Gerard

2017-09-01

This paper presents a numerical investigation of transitional flow on the wind turbine airfoil DU91-W2-250 with chord-based Reynolds number Rec = 1.0 × 106. The Reynolds-averaged Navier-Stokes based transition model using laminar kinetic energy concept, namely the k - kL - ω model, is employed to resolve the boundary layer transition. Some ambiguities for this model are discussed and it is further implemented into OpenFOAM-2.1.1. The k - kL - ω model is first validated through the chosen wind turbine airfoil at the angle of attack (AoA) of 6.24° against wind tunnel measurement, where lift and drag coefficients, surface pressure distribution and transition location are compared. In order to reveal the transitional flow on the airfoil, the mean boundary layer profiles in three zones, namely the laminar, transitional and fully turbulent regimes, are investigated. Observation of flow at the transition location identifies the laminar separation bubble. The AoA effect on boundary layer transition over wind turbine airfoil is also studied. Increasing the AoA from -3° to 10°, the laminar separation bubble moves upstream and reduces in size, which is in close agreement with wind tunnel measurement.

Optimization models in a transition economy

CERN Document Server

Sergienko, Ivan V; Koshlai, Ludmilla

2014-01-01

This book opens new avenues in understanding mathematical models within the context of a  transition economy. The exposition lays out the methods for combining different mathematical structures and tools to effectively build the next model that will accurately reflect real world economic processes. Mathematical modeling of weather phenomena allows us to forecast certain essential weather parameters without any possibility of changing them. By contrast, modeling of transition economies gives us the freedom to not only predict changes in important indexes of all types of economies, but also to influence them more effectively in the desired direction. Simply put: any economy, including a transitional one, can be controlled. This book is useful to anyone who wants to increase profits within their business, or improve the quality of their family life and the economic area they live in. It is beneficial for undergraduate and graduate students specializing in the fields of Economic Informatics, Economic Cybernetic...

Transition and Turbulence Modeling for Blunt-Body Wake Flows

Science.gov (United States)

Nance, Robert P.; Horvath, Thomas J.; Hassan, H. A.

1997-01-01

This study attempts t o improve the modeling and computational prediction of high- speed transitional wake flows. The recently developed kappa - zeta (Enstrophy) turbulence model is coupled with a newly developed transition prediction method and implemented in an implicit flow solver well-suited to hypersonic flows. In this model, transition onset is determined as part of the solution. Results obtained using the new model for a 70- deg blunted cone/sting geometry demonstrate better agreement with experimental heat- transfer measurements when compared to laminar calculations as well as solutions using the kappa - omega model. Results are also presented for the situation where transition onset is preselected. It is shown that, in this case, results are quite sensitive to location of the transition point.

Glass Transition Temperature of Saccharide Aqueous Solutions Estimated with the Free Volume/Percolation Model.

Science.gov (United States)

Constantin, Julian Gelman; Schneider, Matthias; Corti, Horacio R

2016-06-09

The glass transition temperature of trehalose, sucrose, glucose, and fructose aqueous solutions has been predicted as a function of the water content by using the free volume/percolation model (FVPM). This model only requires the molar volume of water in the liquid and supercooled regimes, the molar volumes of the hypothetical pure liquid sugars at temperatures below their pure glass transition temperatures, and the molar volumes of the mixtures at the glass transition temperature. The model is simplified by assuming that the excess thermal expansion coefficient is negligible for saccharide-water mixtures, and this ideal FVPM becomes identical to the Gordon-Taylor model. It was found that the behavior of the water molar volume in trehalose-water mixtures at low temperatures can be obtained by assuming that the FVPM holds for this mixture. The temperature dependence of the water molar volume in the supercooled region of interest seems to be compatible with the recent hypothesis on the existence of two structure of liquid water, being the high density liquid water the state of water in the sugar solutions. The idealized FVPM describes the measured glass transition temperature of sucrose, glucose, and fructose aqueous solutions, with much better accuracy than both the Gordon-Taylor model based on an empirical kGT constant dependent on the saccharide glass transition temperature and the Couchman-Karasz model using experimental heat capacity changes of the components at the glass transition temperature. Thus, FVPM seems to be an excellent tool to predict the glass transition temperature of other aqueous saccharides and polyols solutions by resorting to volumetric information easily available.

Communication: Electronic flux induced by crossing the transition state

Science.gov (United States)

Jia, Dongming; Manz, Jörn; Yang, Yonggang

2018-01-01

We present a new effect of chemical reactions, e.g., isomerizations, that occurs when the reactants pass along the transition state, on the way to products. It is based on the well-known fact that at the transition state, the electronic structure of one isomer changes to the other. We discover that this switch of electronic structure causes a strong electronic flux that is well distinguishable from the usual flux of electrons that travel with the nuclei. As a simple but clear example, the effect is demonstrated here for bond length isomerization of Na2 (21Σu+), with adiabatic crossing the barrier between the inner and outer wells of the double minimum potential that support different "Rydberg" and "ionic" type electronic structures, respectively.

Levitation of current carrying states in the lattice model for the integer quantum Hall effect.

Science.gov (United States)

Koschny, T; Potempa, H; Schweitzer, L

2001-04-23

The disorder driven quantum Hall to insulator transition is investigated for a two-dimensional lattice model. The Hall conductivity and the localization length are calculated numerically near the transition. For uncorrelated and weakly correlated disorder potentials the current carrying states are annihilated by the negative Chern states originating from the band center. In the presence of correlated disorder potentials with correlation length larger than approximately half the lattice constant the floating up of the critical states in energy without merging is observed. This behavior is similar to the levitation scenario proposed for the continuum model.

A Multi-Phase Equation of State and Strength Model for Tin

International Nuclear Information System (INIS)

Cox, G. A.

2006-01-01

This paper considers a multi-phase equation of state and a multi-phase strength model for tin in the β, γ and liquid phases. At a phase transition there are changes in volume, energy, and properties of a material that should be included in an accurate model. The strength model will also be affected by a solid-solid phase transition. For many materials there is a lack of experimental data for strength at high pressures making the derivation of strength parameters for some phases difficult. In the case of tin there are longitudinal sound speed data on the Hugoniot available that have been used here in conjunction with a multi-phase equation of state to derive strength parameters for the γ phase, a phase which does not exist at room temperature and pressure

State-Transition Structures in Physics and in Computation

Science.gov (United States)

Petri, C. A.

1982-12-01

In order to establish close connections between physical and computational processes, it is assumed that the concepts of “state” and of “transition” are acceptable both to physicists and to computer scientists, at least in an informal way. The aim of this paper is to propose formal definitions of state and transition elements on the basis of very low level physical concepts in such a way that (1) all physically possible computations can be described as embedded in physical processes; (2) the computational aspects of physical processes can be described on a well-defined level of abstraction; (3) the gulf between the continuous models of physics and the discrete models of computer science can be bridged by simple mathematical constructs which may be given a physical interpretation; (4) a combinatorial, nonstatistical definition of “information” can be given on low levels of abstraction which may serve as a basis to derive higher-level concepts of information, e.g., by a statistical or probabilistic approach. Conceivable practical consequences are discussed.

Status of Credentialing Structures Related to Secondary Transition: A State-Level Policy Analysis

Science.gov (United States)

Simonsen, Monica L.; Novak, Jeanne A.; Mazzotti, Valerie L.

2018-01-01

To understand the current status of transition-related credentialing systems in driving personnel preparation, it is necessary to identify which state education and rehabilitation services agencies are currently providing certification and licensure in the area of secondary transition. The purpose of this study was to examine the current state of…

Pediatricians Transitioning Practices, Youth With Special Health Care Needs in New York State.

Science.gov (United States)

Davidson, Lynn F; Chhabra, Rosy; Cohen, Hillel W; Lechuga, Claudia; Diaz, Patricia; Racine, Andrew

2015-10-01

To assess current practices of New York State pediatricians as they transition youth with special health care needs to adult-oriented medical care. A survey of New York State pediatricians included 6 critical steps from 2002 consensus statement, 11 essential steps adapted from recent literature, and questions targeting age of starting transition and availability of transition policy. Of 181 respondents, only 11% have a transition policy. Most assist patients in transition process; identify an adult provider (92%); and create portable medical summary (57%). Only 3% start planning process at recommended age. No respondents are compliant with all 6 critical steps; subspecialists were more likely to report compliance to more than 4 steps. Participating pediatricians are making gains, yet effort is needed, to incorporate the essential steps into practice for transitioning youth with special health care needs. Recognition of barriers, use of electronic tools, and clarifying subspecialist's approach, may improve compliance with transition recommendations. © The Author(s) 2015.

Topological quantum phase transitions and edge states in spin-orbital coupled Fermi gases.

Science.gov (United States)

Zhou, Tao; Gao, Yi; Wang, Z D

2014-06-11

We study superconducting states in the presence of spin-orbital coupling and Zeeman field. It is found that a phase transition from a Fulde-Ferrell-Larkin-Ovchinnikov state to the topological superconducting state occurs upon increasing the spin-orbital coupling. The nature of this topological phase transition and its critical property are investigated numerically. Physical properties of the topological superconducting phase are also explored. Moreover, the local density of states is calculated, through which the topological feature may be tested experimentally.

Linking Complexity and Sustainability Theories: Implications for Modeling Sustainability Transitions

Directory of Open Access Journals (Sweden)

Camaren Peter

2014-03-01

Full Text Available In this paper, we deploy a complexity theory as the foundation for integration of different theoretical approaches to sustainability and develop a rationale for a complexity-based framework for modeling transitions to sustainability. We propose a framework based on a comparison of complex systems’ properties that characterize the different theories that deal with transitions to sustainability. We argue that adopting a complexity theory based approach for modeling transitions requires going beyond deterministic frameworks; by adopting a probabilistic, integrative, inclusive and adaptive approach that can support transitions. We also illustrate how this complexity-based modeling framework can be implemented; i.e., how it can be used to select modeling techniques that address particular properties of complex systems that we need to understand in order to model transitions to sustainability. In doing so, we establish a complexity-based approach towards modeling sustainability transitions that caters for the broad range of complex systems’ properties that are required to model transitions to sustainability.

Role of entropy and structural parameters in the spin-state transition of LaCoO3

Science.gov (United States)

Chakrabarti, Bismayan; Birol, Turan; Haule, Kristjan

2017-11-01

The spin-state transition in LaCoO3 has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent density functional theory + embedded dynamical mean field theory (DFT+DMFT). We show from first principles that LaCoO3 cannot be described by a single, pure spin state at any temperature. Instead, we observe a gradual change in the population of higher-spin multiplets with increasing temperature, with the high-spin multiplets being excited at the onset of the spin-state transition followed by the intermediate-spin multiplets being excited at the metal-insulator-transition temperature. We explicitly elucidate the critical role of lattice expansion and oxygen octahedral rotations in the spin-state transition. We also reproduce, from first principles, that the spin-state transition and the metal-insulator transition in LaCoO3 occur at different temperature scales. In addition, our results shed light on the importance of electronic entropy in driving the spin-state transition, which has so far been ignored in all first-principles studies of this material.

High-spin level structure and Ground-state phase transition in the odd-mass 103-109Rh isotopes in the framework of exactly solvable sdg interacting boson-fermion model

Science.gov (United States)

Ghapanvari, M.; Ghorashi, A. H.; Ranjbar, Z.; Jafarizadeh, M. A.

2018-03-01

In this article, the negative-parity states in the odd-mass 103 - 109Rh isotopes in terms of the sd and sdg interacting-boson fermion models were studied. The transitional interacting boson-fermion model Hamiltonians in sd and sdg-IBFM versions based on affine SU (1 , 1) Lie Algebra were employed to describe the evolution from the spherical to deformed gamma unstable shapes along with the chain of Rh isotopes. In this method, sdg-IBFM Hamiltonian, which is a three level pairing Hamiltonian was determined easily via the exactly solvable method. Some observables of the shape phase transitions such as energy levels, the two neutron separation energies, signature splitting of the γ-vibrational band, the α-decay and double β--decay energies were calculated and examined for these isotopes. The present calculation correctly reproduces the spherical to gamma-soft phase transition in the Rh isotopes. Some comparisons were made with sd-IBFM.

Panel Smooth Transition Regression Models

DEFF Research Database (Denmark)

González, Andrés; Terasvirta, Timo; Dijk, Dick van

We introduce the panel smooth transition regression model. This new model is intended for characterizing heterogeneous panels, allowing the regression coefficients to vary both across individuals and over time. Specifically, heterogeneity is allowed for by assuming that these coefficients are bou...

Grassland to shrubland state transitions enhance carbon sequestration in the northern Chihuahuan Desert

Science.gov (United States)

M. D. Petrie; S. L. Collins; A. M. Swann; P. L. Ford; M. E. Litvak

2015-01-01

The replacement of native C4-dominated grassland by C3-dominated shrubland is considered an ecological state transition where different ecological communities can exist under similar environmental conditions. These state transitions are occurring globally, and may be exacerbated by climate change. One consequence of the global increase in woody vegetation may be...

Modeling multipulsing transition in ring cavity lasers with proper orthogonal decomposition

International Nuclear Information System (INIS)

Ding, Edwin; Shlizerman, Eli; Kutz, J. Nathan

2010-01-01

A low-dimensional model is constructed via the proper orthogonal decomposition (POD) to characterize the multipulsing phenomenon in a ring cavity laser mode locked by a saturable absorber. The onset of the multipulsing transition is characterized by an oscillatory state (created by a Hopf bifurcation) that is then itself destabilized to a double-pulse configuration (by a fold bifurcation). A four-mode POD analysis, which uses the principal components, or singular value decomposition modes, of the mode-locked laser, provides a simple analytic framework for a complete characterization of the entire transition process and its associated bifurcations. These findings are in good agreement with the full governing equation.

Isotropic-nematic transition in shear flow: State selection, coexistence, phase transitions, and critical behavior

Science.gov (United States)

Olmsted, Peter D.; Goldbart, Paul M.

1992-10-01

Macroscopic fluid motion can have dramatic consequences near the isotropic-nematic transition in fluids of nematogens. We explore some of these consequences using both deterministic and stochastic descriptions involving coupled hydrodynamic equations of motion for the nematic order parameter and fluid velocity fields. By analyzing the deterministic equations of motion we identify the locally stable states of homogeneous nematic order and strain rate, thus determining the homogeneous nonequilibrium steady states which the fluid may adopt. By examining inhomogeneous steady states we construct the analog of a first-order phase boundary, i.e., a line in the nonequilibrium phase diagram spanned by temperature and applied stress, at which nonequilibrium states may coexist, and which terminates in a nonequilibrium analog of a critical point. From an analysis of the nematic order-parameter discontinuity across the coexistence line, along with properties of the interface between homogeneous states, we extract the analog of classical equilibrium critical behavior near the nonequilibrium critical point. We develop a theory of fluctuations about biaxial nonequilibrium steady states by augmenting the deterministic description with noise terms, to simulate the effect of thermal fluctuations. We use this description to discuss the scattering of polarized light by order-parameter fluctuations near the nonequilibrium critical point and also in weak shear flow near the equilibrium phase transition. We find that fluids of nematogens near an appropriate temperature and strain rate exhibit the analog of critical opalescence, the intensity of which is sensitive to the polarizations of the incident and scattered light, and to the precise form of the critical mode.

The deconfinement phase transition, hadronization and the NJL model

International Nuclear Information System (INIS)

Raha, Sibaji

2000-01-01

One of the confident predictions of QCD is that at sufficiently high temperature and/or density, hadronic matter should undergo a thermodynamic phase transition to a color deconfined state of matter-popularly called the Quark-Gluon Plasma (QGP). In low energy effective theories of Quantum Chromodynamics (QCD), one usually talks of the chiral transition for which a well defined order parameter exists. We investigate the dissociation of pions and kaons in a medium of hot quark matter described by the Nambu-Jona Lasinio (NJL) model. The decay widths of pion and kaon are found to be large but finite at temperature much higher than the critical temperature for the chiral (or deconfinement) transition, the kaon decay width being much larger. Thus pions and even kaons (with a lower density compared to pions) may coexist with quarks and gluons at such high temperatures. On the basis of such premises, we investigate the process of hadronization in quark-gluon plasma with special emphasis on whether such processes shed any light on acceptable low energy effective theories of QCD

Federal and state benefits for transition age youth.

Science.gov (United States)

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

2014-01-01

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

Probing the transition state region in catalytic CO oxidation on Ru

Energy Technology Data Exchange (ETDEWEB)

Ostrom, H. [Stockholm Univ. (Sweden); Oberg, H. [Stockholm Univ. (Sweden); Xin, H. [SLAC National Accelerator Lab., Menlo Park, CA (United States); LaRue, J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Beye, M. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany); Dell' Angela, M. [Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany); Gladh, J. [Stockholm Univ. (Sweden); Ng, M. L. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Sellberg, J. A. [Stockholm Univ. (Sweden); SLAC National Accelerator Lab., Menlo Park, CA (United States); Kaya, S. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Mercurio, G. [Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany); Nordlund, D. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Hantschmann, M. [Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany); Hieke, F. [Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany); Kuhn, D. [Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany); Schlotter, W. F. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Dakovski, G. L. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Turner, J. J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Minitti, M. P. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Mitra, A. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Moeller, S. P. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Fohlisch, A. [Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany); Univ. Potsdam, Potsdam (Germany); Wolf, M. [Fritz-Haber Institute of the Max-Planck-Society, Berlin (Germany); Wurth, W. [Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany); DESY Photon Science, Hamburg (Germany); Persson, M. [The Univ. of Liverpool, Liverpool (United Kingdom); Norskov, J. K. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Abild-Pedersen, F. [Stanford Univ., Stanford, CA (United States); Ogasawara, H. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Pettersson, L. G. M. [Stockholm Univ. (Sweden); Nilsson, A. [Stockholm Univ. (Sweden); SLAC National Accelerator Lab., Menlo Park, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)

2015-02-12

Femtosecond x-ray laser pulses are used to probe the CO oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and O on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the O K-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OC–O bond lengths close to the transition state (TS). After 1 ps, 10% of the CO populate the TS region, which is consistent with predictions based on a quantum oscillator model.

Betting on change: modeling transitional probabilities to guide therapy development for opioid dependence.

Science.gov (United States)

Carpenter, Kenneth M; Jiang, Huiping; Sullivan, Maria A; Bisaga, Adam; Comer, Sandra D; Raby, Wilfrid Noel; Brooks, Adam C; Nunes, Edward V

2009-03-01

This study investigated the process of change by modeling transitions among four clinical states encountered in 64 detoxified opiate-dependent individuals treated with daily oral naltrexone: no opiate use, blocked opiate use (i.e., opiate use while adhering to oral naltrexone), unblocked opiate use (i.e., opiate use after having discontinued oral naltrexone), and treatment dropout. The effects of baseline characteristics and two psychosocial interventions of differing intensity, behavioral naltrexone therapy (BNT) and compliance enhancement (CE), on these transitions were studied. Participants using greater quantities of opiates were more likely than other participants to be retained in BNT relative to CE. Markov modeling indicated a transition from abstinence to treatment dropout was approximately 3.56 times greater among participants in CE relative to participants in BNT, indicating the more comprehensive psychosocial intervention kept participants engaged in treatment longer. Transitions to stopping treatment were more likely to occur after unblocked opiate use in both treatments. Continued opiate use while being blocked accounted for a relatively low proportion of transitions to abstinence and may have more deleterious effects later in a treatment episode. (PsycINFO Database Record (c) 2009 APA, all rights reserved).

The phase transition to an inhomogeneous condensate state

International Nuclear Information System (INIS)

Voskresensky, D.N.

1984-01-01

The Lagrangian (free energy) of the model with a complex scalar order parameter in which the phase transition to an inhomogeneous condensate state exists is constructed in the coordinate representation. In the case of condensation of charged particles (for example paired electrons) interaction with the electromagnetic field is included. The excitation spectrum in the presence of the condensate is found. The oscillations are strongly anisotropic. It is shown that superfluidity is absent for an uncharged system but that the charged one has the property of superconductivity. The important role of thermal fluctuations is demonstrated. They drastically change the behaviour of the condensate system. The condensation in a finite system is considered. A study is carried out for the behaviour of an inhomogeneous condensate in magnetic field. It is shown that the inhomogeneous condensate is a type II superconductor with Ginzburg-Landau parameter kappa >> 1, but that the structure of the mixed state of the system is unusual - consisting of plane layers of the normal phase, when Hsub(c1)< H< H'sub(c2). The distribution of condensate in the strong magnetic field H'sub(c2)< H< Hsub(c2) is also studied. (Auth.)

An intermittency model for predicting roughness induced transition

Science.gov (United States)

Ge, Xuan; Durbin, Paul

2014-11-01

An extended model for roughness-induced transition is proposed based on an intermittency transport equation for RANS modeling formulated in local variables. To predict roughness effects in the fully turbulent boundary layer, published boundary conditions for k and ω are used, which depend on the equivalent sand grain roughness height, and account for the effective displacement of wall distance origin. Similarly in our approach, wall distance in the transition model for smooth surfaces is modified by an effective origin, which depends on roughness. Flat plate test cases are computed to show that the proposed model is able to predict the transition onset in agreement with a data correlation of transition location versus roughness height, Reynolds number, and inlet turbulence intensity. Experimental data for a turbine cascade are compared with the predicted results to validate the applicability of the proposed model. Supported by NSF Award Number 1228195.

Elastic Model Transitions: a Hybrid Approach Utilizing Quadratic Inequality Constrained Least Squares (LSQI) and Direct Shape Mapping (DSM)

Science.gov (United States)

Jurenko, Robert J.; Bush, T. Jason; Ottander, John A.

2014-01-01

A method for transitioning linear time invariant (LTI) models in time varying simulation is proposed that utilizes both quadratically constrained least squares (LSQI) and Direct Shape Mapping (DSM) algorithms to determine physical displacements. This approach is applicable to the simulation of the elastic behavior of launch vehicles and other structures that utilize multiple LTI finite element model (FEM) derived mode sets that are propagated throughout time. The time invariant nature of the elastic data for discrete segments of the launch vehicle trajectory presents a problem of how to properly transition between models while preserving motion across the transition. In addition, energy may vary between flex models when using a truncated mode set. The LSQI-DSM algorithm can accommodate significant changes in energy between FEM models and carries elastic motion across FEM model transitions. Compared with previous approaches, the LSQI-DSM algorithm shows improvements ranging from a significant reduction to a complete removal of transients across FEM model transitions as well as maintaining elastic motion from the prior state.

Travel Patterns And Characteristics Of Transit Users In New York State

Energy Technology Data Exchange (ETDEWEB)

Hwang, Ho-Ling [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wilson, Daniel W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Reuscher, Tim [Macrosys, Arlington, VA (United States); Chin, Shih-Miao [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Taylor, Rob D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

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

Description of spectrum and electromagnetic transitions in 94Mo through the proton-neutron interacting boson model

Science.gov (United States)

Mu, ChengFu; Zhang, DaLi

2018-01-01

We investigated the properties of low-lying states in 94Mo within the framework of the proton-neutron interacting boson model (IBM-2), with special focus on the characteristics of mixed-symmetry states. We calculated level energies and M1 and E2 transition strengths. The IBM-2 results agree with the available quantitative and qualitative experimental data on 94Mo. The properties of mixed-symmetry states can be well described by IBM-2 given that the energy of the d proton boson is different from that of the neutron boson, especially for the transition of B( M1; 4 2 + → 4 1 + ).

Double transitions, non-Ising criticality and the critical absorbing phase in an interacting monomer–dimer model on a square lattice

International Nuclear Information System (INIS)

Nam, Keekwon; Kim, Bongsoo; Park, Sangwoong; Lee, Sung Jong

2011-01-01

We present a numerical study on an interacting monomer–dimer model with nearest neighbor repulsion on a square lattice, which possesses two symmetric absorbing states. The model is observed to exhibit two nearby continuous transitions: the Z 2 symmetry-breaking order–disorder transition and the absorbing transition with directed percolation criticality. We find that the symmetry-breaking transition shows a non-Ising critical behavior, and that the absorbing phase becomes critical, in the sense that the critical decay of the dimer density observed at the absorbing transition persists even within the absorbing phase. Our findings call for further studies on microscopic models and the corresponding continuum description belonging to the generalized voter university class. (letter)

Direct transitions among atomic states of negative reflection symmetry in the scattering plane: Li(2p0,3p0,3d±1)-He collisions

International Nuclear Information System (INIS)

Nielsen, S.E.; Andersen, N.

1988-01-01

This paper reports coupled channel model calculations of direct transitions in Li-He collisions among excited Li-states of negative reflection symmetry in the scattering plane. Using the natural coordinate frame, transition probabilities and orientation and alignment parameters are predicted as functions of impact energy and impact parameter for various initial states. It is found that for geometrical reasons transition probabilities are one to two orders of magnitude smaller than for corresponding states with positive reflection symmetry. Some experimental consequences of this finding are pointed out. (orig.)

Reassessment of fission fragment angular distributions from continuum states in the context of transition-state theory

International Nuclear Information System (INIS)

Vaz, L.C.; Alexander, J.M.

1983-01-01

Fission angular distributions have been studied for years and have been treated as classic examples of transition-state theory. Early work involving composite nuclei of relatively low excitation energy Esup(*) ( 2 0 (K 2 0 = Psub(eff)T/(h/2π) 2 ) are presented along with comparissons of Psub(eff) to moments of inertia for saddle-point nuclei from the rotating liquid drop model. This model gives an excellent guide for the intermediate spin zone (30 < or approx. I < or approx. 65), while strong shell and/or pairing effects are evident for excitations less than < or approx. 35 MeV. Observations of strong anisotropies for very high-spin systems signal the demise of certain approximations commonly made in the theory, and suggestions are made toward this end. (orig.)

Optimized broad-histogram simulations for strong first-order phase transitions: droplet transitions in the large-Q Potts model

International Nuclear Information System (INIS)

Bauer, Bela; Troyer, Matthias; Gull, Emanuel; Trebst, Simon; Huse, David A

2010-01-01

The numerical simulation of strongly first-order phase transitions has remained a notoriously difficult problem even for classical systems due to the exponentially suppressed (thermal) equilibration in the vicinity of such a transition. In the absence of efficient update techniques, a common approach for improving equilibration in Monte Carlo simulations is broadening the sampled statistical ensemble beyond the bimodal distribution of the canonical ensemble. Here we show how a recently developed feedback algorithm can systematically optimize such broad-histogram ensembles and significantly speed up equilibration in comparison with other extended ensemble techniques such as flat-histogram, multicanonical and Wang–Landau sampling. We simulate, as a prototypical example of a strong first-order transition, the two-dimensional Potts model with up to Q = 250 different states in large systems. The optimized histogram develops a distinct multi-peak structure, thereby resolving entropic barriers and their associated phase transitions in the phase coexistence region—such as droplet nucleation and annihilation, and droplet–strip transitions for systems with periodic boundary conditions. We characterize the efficiency of the optimized histogram sampling by measuring round-trip times τ(N, Q) across the phase transition for samples comprised of N spins. While we find power-law scaling of τ versus N for small Q∼ 2 , we observe a crossover to exponential scaling for larger Q. These results demonstrate that despite the ensemble optimization, broad-histogram simulations cannot fully eliminate the supercritical slowing down at strongly first-order transitions

Optimized broad-histogram simulations for strong first-order phase transitions: droplet transitions in the large-Q Potts model

Science.gov (United States)

Bauer, Bela; Gull, Emanuel; Trebst, Simon; Troyer, Matthias; Huse, David A.

2010-01-01

The numerical simulation of strongly first-order phase transitions has remained a notoriously difficult problem even for classical systems due to the exponentially suppressed (thermal) equilibration in the vicinity of such a transition. In the absence of efficient update techniques, a common approach for improving equilibration in Monte Carlo simulations is broadening the sampled statistical ensemble beyond the bimodal distribution of the canonical ensemble. Here we show how a recently developed feedback algorithm can systematically optimize such broad-histogram ensembles and significantly speed up equilibration in comparison with other extended ensemble techniques such as flat-histogram, multicanonical and Wang-Landau sampling. We simulate, as a prototypical example of a strong first-order transition, the two-dimensional Potts model with up to Q = 250 different states in large systems. The optimized histogram develops a distinct multi-peak structure, thereby resolving entropic barriers and their associated phase transitions in the phase coexistence region—such as droplet nucleation and annihilation, and droplet-strip transitions for systems with periodic boundary conditions. We characterize the efficiency of the optimized histogram sampling by measuring round-trip times τ(N, Q) across the phase transition for samples comprised of N spins. While we find power-law scaling of τ versus N for small Q \\lesssim 50 and N \\lesssim 40^2 , we observe a crossover to exponential scaling for larger Q. These results demonstrate that despite the ensemble optimization, broad-histogram simulations cannot fully eliminate the supercritical slowing down at strongly first-order transitions.

Viewing brain processes as Critical State Transitions across levels of organization: Neural events in Cognition and Consciousness, and general principles.

Science.gov (United States)

Werner, Gerhard

2009-04-01

In this theoretical and speculative essay, I propose that insights into certain aspects of neural system functions can be gained from viewing brain function in terms of the branch of Statistical Mechanics currently referred to as "Modern Critical Theory" [Stanley, H.E., 1987. Introduction to Phase Transitions and Critical Phenomena. Oxford University Press; Marro, J., Dickman, R., 1999. Nonequilibrium Phase Transitions in Lattice Models. Cambridge University Press, Cambridge, UK]. The application of this framework is here explored in two stages: in the first place, its principles are applied to state transitions in global brain dynamics, with benchmarks of Cognitive Neuroscience providing the relevant empirical reference points. The second stage generalizes to suggest in more detail how the same principles could also apply to the relation between other levels of the structural-functional hierarchy of the nervous system and between neural assemblies. In this view, state transitions resulting from the processing at one level are the input to the next, in the image of a 'bucket brigade', with the content of each bucket being passed on along the chain, after having undergone a state transition. The unique features of a process of this kind will be discussed and illustrated.

The Current Landscape of Transitions of Care Practice Models: A Scoping Review.

Science.gov (United States)

Rochester-Eyeguokan, Charmaine D; Pincus, Kathleen J; Patel, Roshni S; Reitz, Shirley J

2016-01-01

Transitions of care (TOC) are a set of actions to ensure patient coordination and continuity of care as patients transfer between different locations or levels. During transitions associated with chronic or acute illness, vulnerable patients may be placed at risk with fragmented systems compromising their health and safety. In addition, poor care transitions also have an enormous impact on health care spending. The primary objective of this scoping review is to summarize the current landscape of practice models that deliver TOC services in the United States. The secondary objective is to use the information to characterize the current state of best practice models. A search of the PubMed, Embase, Cumulative Index to Nursing and Allied Health Literature, Web of Science, International Pharmaceutical Abstracts, National Center for Biotechnology Information at the U.S. National Library of Medicine, and Cochrane Library databases (January 1, 2000-April 13, 2015) for articles pertaining to TOC models, limited to U.S. studies published in the English language with human subjects, gleaned 1362 articles. An additional 26 articles were added from the gray literature. Articles meeting inclusion criteria underwent a second review and were categorized into four groups: background information, original TOC research articles not evaluating practice model interventions, original TOC research articles describing practice models, and systematic or Cochrane reviews. The reviewers met weekly to discuss the challenges and resolve disagreements regarding literature reviews with consensus before progressing. A total of 188 articles describing TOC practice models met the inclusion criteria. Despite the strengths of several quality TOC models, none satisfied all the components recommended by leading experts. Multimodal interventions by multidisciplinary teams appear to represent a best practice model for TOC to improve patient outcomes and reduce readmissions, but one size does not fit all

Neutron transition densities for the 2+-8+ multiplet of states in 90Zr

International Nuclear Information System (INIS)

Onegin, M.S.; Plavko, A.V.

2004-01-01

Neutron transition densities for the 2 + -8 + levels in 90 Zr were extracted in the process of analyzing (p,p ' ) scattering at 400 MeV. They were compared with the calculated neutron transition densities and with the experimental proton transition densities. Radial distributions of the experimental neutron and proton transition densities for each state were found to be different. (orig.)

The nature of the continuous non-equilibrium phase transition of Axelrod's model

Science.gov (United States)

Peres, Lucas R.; Fontanari, José F.

2015-09-01

Axelrod's model in the square lattice with nearest-neighbors interactions exhibits culturally homogeneous as well as culturally fragmented absorbing configurations. In the case in which the agents are characterized by F = 2 cultural features and each feature assumes k states drawn from a Poisson distribution of parameter q, these regimes are separated by a continuous transition at qc = 3.10 +/- 0.02 . Using Monte Carlo simulations and finite-size scaling we show that the mean density of cultural domains μ is an order parameter of the model that vanishes as μ ∼ (q - q_c)^β with β = 0.67 +/- 0.01 at the critical point. In addition, for the correlation length critical exponent we find ν = 1.63 +/- 0.04 and for Fisher's exponent, τ = 1.76 +/- 0.01 . This set of critical exponents places the continuous phase transition of Axelrod's model apart from the known universality classes of non-equilibrium lattice models.

Diffraction model of a step-out transition

Energy Technology Data Exchange (ETDEWEB)

Chao, A.W.; Zimmermann, F.

1996-06-01

The diffraction model of a cavity, suggested by Lawson, Bane and Sands is generalized to a step out transition. Using this model, the high frequency impedance is calculated explicitly for the case that the transition step is small compared with the beam pipe radius. In the diffraction model for a small step out transition, the total energy is conserved, but, unlike the cavity case, the diffracted waves in the geometric shadow and the pipe region, in general, do not always carry equal energy. In the limit of small step sizes, the impedance derived from the diffraction model agrees with that found by Balakin, Novokhatsky and also Kheifets. This impedance can be used to compute the wake field of a round collimator whose half aperture is much larger than the bunch length, as existing in the SLC final focus.

Thermal isomerization of azobenzenes: on the performance of Eyring transition state theory

Science.gov (United States)

Rietze, Clemens; Titov, Evgenii; Lindner, Steven; Saalfrank, Peter

2017-08-01

The thermal Z\\to E (back-)isomerization of azobenzenes is a prototypical reaction occurring in molecular switches. It has been studied for decades, yet its kinetics is not fully understood. In this paper, quantum chemical calculations are performed to model the kinetics of an experimental benchmark system, where a modified azobenzene (AzoBiPyB) is embedded in a metal-organic framework (MOF). The molecule can be switched thermally from cis to trans, under solvent-free conditions. We critically test the validity of Eyring transition state theory for this reaction. As previously found for other azobenzenes (albeit in solution), good agreement between theory and experiment emerges for activation energies and activation free energies, already at a comparatively simple level of theory, B3LYP/6-31G* including dispersion corrections. However, theoretical Arrhenius prefactors and activation entropies are in qualitiative disagreement with experiment. Several factors are discussed that may have an influence on activation entropies, among them dynamical and geometric constraints (imposed by the MOF). For a simpler model—Z\\to E isomerization in azobenzene—a systematic test of quantum chemical methods from both density functional theory and wavefunction theory is carried out in the context of Eyring theory. Also, the effect of anharmonicities on activation entropies is discussed for this model system. Our work highlights capabilities and shortcomings of Eyring transition state theory and quantum chemical methods, when applied for the Z\\to E (back-)isomerization of azobenzenes under solvent-free conditions.

Critical exponents of the transition from incoherence to partial oscillation death in the Winfree model

International Nuclear Information System (INIS)

Basnarkov, Lasko; Urumov, Viktor

2009-01-01

We consider an analytically solvable version of the Winfree model of synchronization of phase oscillators (proposed by Ariaratnam and Strogatz 2001 Phys. Rev. Lett. 86 4278). It is obtained that the transition from incoherence to a partial death state is characterized by third-order or higher phase transitions according to the Ehrenfest classification. The order of the transition depends on the shape of the distribution function for natural frequencies of oscillators in the vicinity of their lowest frequency. The corresponding critical exponents are found analytically and verified with numerical simulations of equations of motion. We also consider the generalized Winfree model with the interaction strength proportional to a power of the Kuramoto order parameter and find the domain where the critical exponent remains unchanged by this modification

Variational predictions of transition energies and electron affinities: He and Li ground states and Li, Be, and Mg core-excited states

International Nuclear Information System (INIS)

Fischer, C.F.

1990-01-01

Variational procedures for predicting energy differences of many-electron systems are investigated. Several different calculations for few-electron systems are considered that illustrate the problems encountered when a many-electron system is modeled as a core plus outer electrons. It is shown that sequences of increasingly more accurate calculations for outer correlation may converge yielding wrong transition energies. At the same time, accurate core-polarization calculations overestimate the binding energy, requiring a core-valence correction. For the high-spin, core-excited states of Li, it was found that outer correlation only predicted electron affinities as accurately as full-correlation studies. This observation suggested a prediction of the core-excited 4 P endash 4 S transition in Be - , based on observed 3 P 0 endash 3 P transition energies of the neutral species, predicted electron affinities including only outer correlation, and a core-valence correction, that is shown to be in good agreement with experiment. A similar calculation for Mg - predicts a wavelength of 2895.1 A for this transition

Online transition matrix identification of the state evolution model for the extended Kalman filter in electrical impedance tomography

International Nuclear Information System (INIS)

Moura, Fernando S; Aya, Julio C C; Lima, Raul G; Fleury, Agenor T

2008-01-01

One of the electrical impedance tomography objectives is to estimate the electrical resistivity distribution in a domain based only on contour electrical potential measurements caused by an imposed electrical current distribution into the boundary. In biomedical applications, the random walk model is frequently used as evolution model and, under this conditions, it is observed poor tracking ability of the Extended Kalman Filter (EKF). An analytically developed evolution model is not feasible at this moment. The present work investigates the possibility of identifying the evolution model in parallel to the EKF and updating the evolution model with certain periodicity. The evolution model is identified using the history of resistivity distribution obtained by a sensitivity matrix based algorithm. To numerically identify the linear evolution model, it is used the Ibrahim Time Domain Method, normally used to identify the transition matrix on structural dynamics. The investigation was performed by numerical simulations of a time varying domain with the addition of noise. Numerical dificulties to compute the transition matrix were solved using a Tikhonov regularization. The EKF numerical simulations suggest that the tracking ability is significantly improved.

Measured Boundary Layer Transition and Rotor Hover Performance at Model Scale

Science.gov (United States)

Overmeyer, Austin D.; Martin, Preston B.

2017-01-01

An experiment involving a Mach-scaled, 11:08 f t: diameter rotor was performed in hover during the summer of 2016 at NASA Langley Research Center. The experiment investigated the hover performance as a function of the laminar to turbulent transition state of the boundary layer, including both natural and fixed transition cases. The boundary layer transition locations were measured on both the upper and lower aerodynamic surfaces simultaneously. The measurements were enabled by recent advances in infrared sensor sensitivity and stability. The infrared thermography measurement technique was enhanced by a paintable blade surface heater, as well as a new high-sensitivity long wave infrared camera. The measured transition locations showed extensive amounts, x=c>0:90, of laminar flow on the lower surface at moderate to high thrust (CT=s > 0:068) for the full blade radius. The upper surface showed large amounts, x=c > 0:50, of laminar flow at the blade tip for low thrust (CT=s boundary layer transition models in CFD and rotor design tools. The data is expected to be used as part of the AIAA Rotorcraft SimulationWorking Group

Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal.

Science.gov (United States)

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-06-28

Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H2O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H2O → H2 + OH reaction. The strong enhancement of reactivity by the H2O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal.

Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal

International Nuclear Information System (INIS)

Zhao, Bin; Guo, Hua; Sun, Zhigang

2015-01-01

Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H 2 O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H 2 O → H 2 + OH reaction. The strong enhancement of reactivity by the H 2 O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal

Modeling the Oil Transition: A Summary of the Proceedings of the DOE/EPA Workshop on the Economic and Environmental Implications of Global Energy Transitions

Energy Technology Data Exchange (ETDEWEB)

Greene, David L [ORNL

2007-02-01

The global energy system faces sweeping changes in the next few decades, with potentially critical implications for the global economy and the global environment. It is important that global institutions have the tools necessary to predict, analyze and plan for such massive change. This report summarizes the proceedings of an international workshop concerning methods of forecasting, analyzing, and planning for global energy transitions and their economic and environmental consequences. A specific case, it focused on the transition from conventional to unconventional oil and other energy sources likely to result from a peak in non-OPEC and/or global production of conventional oil. Leading energy models from around the world in government, academia and the private sector met, reviewed the state-of-the-art of global energy modeling and evaluated its ability to analyze and predict large-scale energy transitions.

Romania - New E.U. Member State, A New Phase of Its Transition

Directory of Open Access Journals (Sweden)

Marius PROFIROIU

2011-06-01

Full Text Available Ever since Romania started its transition in the 1990s, it consistently scored poorly in various comparative performance assessments aimed at rating developing countries. In this paper we analyze whether Romania has managed to overcome the transition period or not, by pointing out both the drawbacks as well as the progress that has been made over the transition period, but most of all since our accession to the European Union in 2007. We discuss the concept of good governance for a new EU member state, by focusing on the state of public governance in Romania, but also addressing the other two important actors in the society, the private sector and the civil society.

First identification of the 02+ state in 30Mg via its E0 transition

International Nuclear Information System (INIS)

Schwerdtfeger, Wolfgang Norbert Erik

2008-01-01

The known 1789 keV level in 30 Mg turned out to be a candidate for the 0 2 + state due to its long lifetime of 3.9(4) ns and the absence of a γ transition to the ground state. This triggered our search on the 0 2 + →0 1 + E0 transition in 30 Mg following the β decay of 30 Na: β decay electrons were detected in a scintillation detector, while conversion electrons were focused onto a cooled Si(Li) detector using a Mini-Orange and detected with high resolution, which simultaneously suppresses the high background of β decay electrons. Due to the large Q value of the β decay of 30 Na (17.3 MeV) the suppression of the coincident background induced by high-energy γ rays and subsequently Compton-scattered electrons turned out to be the key challenge for the success of this experiment. In order to optimise the background suppression and thus the sensitivity to weak E0 transitions, offline test measurements using an 90 Y and a 152 Eu source were performed together with GEANT4 simulations. Resulting from these test measurements a highly sensitive experimental setup was designed and built, consequently minimising the amount of high-Z material in the target chamber, reducing X-ray production. As a by-product from test measurements the database value of the half-life of the 0 2 + state in 90 Zr could be corrected by more than 30 % to be t 1/2 =41(1) ns. Finally, in a β decay experiment at the ISOLDE facility at CERN the 0 2 + →0 1 + E0 transition in 30 Mg could be identified at the expected transition energy of 1788 keV proving for the first time shape coexistence at the borderline of the 'Island of Inversion'. This identification allows to determine the electric monopole strength as ρ 2 (E0)=26.2(7.5) x 10 -3 , indicating a rather weak mixing between the states in two potential minima in a simplified two-level mixing model. This result allows to extract the mixing amplitude between the two 0 + states as a=0.179(83). This experimental finding represents the first

General three-state model with biased population replacement: Analytical solution and application to language dynamics

Science.gov (United States)

Colaiori, Francesca; Castellano, Claudio; Cuskley, Christine F.; Loreto, Vittorio; Pugliese, Martina; Tria, Francesca

2015-01-01

Empirical evidence shows that the rate of irregular usage of English verbs exhibits discontinuity as a function of their frequency: the most frequent verbs tend to be totally irregular. We aim to qualitatively understand the origin of this feature by studying simple agent-based models of language dynamics, where each agent adopts an inflectional state for a verb and may change it upon interaction with other agents. At the same time, agents are replaced at some rate by new agents adopting the regular form. In models with only two inflectional states (regular and irregular), we observe that either all verbs regularize irrespective of their frequency, or a continuous transition occurs between a low-frequency state, where the lemma becomes fully regular, and a high-frequency one, where both forms coexist. Introducing a third (mixed) state, wherein agents may use either form, we find that a third, qualitatively different behavior may emerge, namely, a discontinuous transition in frequency. We introduce and solve analytically a very general class of three-state models that allows us to fully understand these behaviors in a unified framework. Realistic sets of interaction rules, including the well-known naming game (NG) model, result in a discontinuous transition, in agreement with recent empirical findings. We also point out that the distinction between speaker and hearer in the interaction has no effect on the collective behavior. The results for the general three-state model, although discussed in terms of language dynamics, are widely applicable.

Transition Heat Transfer Modeling Based on the Characteristics of Turbulent Spots

Science.gov (United States)

Simon, Fred; Boyle, Robert

1998-01-01

While turbulence models are being developed which show promise for simulating the transition region on a turbine blade or vane, it is believed that the best approach with the greatest potential for practical use is the use of models which incorporate the physics of turbulent spots present in the transition region. This type of modeling results in the prediction of transition region intermittency which when incorporated in turbulence models give a good to excellent prediction of the transition region heat transfer. Some models are presented which show how turbulent spot characteristics and behavior can be employed to predict the effect of pressure gradient and Mach number on the transition region. The models predict the spot formation rate which is needed, in addition to the transition onset location, in the Narasimha concentrated breakdown intermittency equation. A simplified approach is taken for modeling turbulent spot growth and interaction in the transition region which utilizes the turbulent spot variables governing transition length and spot generation rate. The models are expressed in terms of spot spreading angle, dimensionless spot velocity, dimensionless spot area, disturbance frequency and Mach number. The models are used in conjunction with a computer code to predict the effects of pressure gradient and Mach number on the transition region and compared with VKI experimental turbine data.

Cook-Levin Theorem Algorithmic-Reducibility/Completeness = Wilson Renormalization-(Semi)-Group Fixed-Points; ``Noise''-Induced Phase-Transitions (NITs) to Accelerate Algorithmics (``NIT-Picking'') REPLACING CRUTCHES!!!: Models: Turing-machine, finite-state-models, finite-automata

Science.gov (United States)

Young, Frederic; Siegel, Edward

Cook-Levin theorem theorem algorithmic computational-complexity(C-C) algorithmic-equivalence reducibility/completeness equivalence to renormalization-(semi)-group phase-transitions critical-phenomena statistical-physics universality-classes fixed-points, is exploited via Siegel FUZZYICS =CATEGORYICS = ANALOGYICS =PRAGMATYICS/CATEGORY-SEMANTICS ONTOLOGY COGNITION ANALYTICS-Aristotle ``square-of-opposition'' tabular list-format truth-table matrix analytics predicts and implements ''noise''-induced phase-transitions (NITs) to accelerate versus to decelerate Harel [Algorithmics (1987)]-Sipser[Intro.Thy. Computation(`97)] algorithmic C-C: ''NIT-picking''(!!!), to optimize optimization-problems optimally(OOPO). Versus iso-''noise'' power-spectrum quantitative-only amplitude/magnitude-only variation stochastic-resonance, ''NIT-picking'' is ''noise'' power-spectrum QUALitative-type variation via quantitative critical-exponents variation. Computer-''science''/SEANCE algorithmic C-C models: Turing-machine, finite-state-models, finite-automata,..., discrete-maths graph-theory equivalence to physics Feynman-diagrams are identified as early-days once-workable valid but limiting IMPEDING CRUTCHES(!!!), ONLY IMPEDE latter-days new-insights!!!

Phase transitions in two-dimensional uniformly frustrated XY models. II. General scheme

International Nuclear Information System (INIS)

Korshunov, S.E.

1986-01-01

For two-dimensional uniformly frustrated XY models the group of symmetry spontaneously broken in the ground state is a cross product of the group of two-dimensional rotations by some discrete group of finite order. Different possibilities of phase transitions in such systems are investigated. The transition to the Coulomb gas with noninteger charges is widely used when analyzing the properties of relevant topological excitations. The number of these excitations includes not only domain walls and traditional (integer) vortices, but also vortices with a fractional number of circulation quanta which are to be localized at bends and intersections of domain walls. The types of possible phase transitions prove to be dependent on their relative sequence: in the case the vanishing of domain wall free energy occurs earlier (at increasing temperature) than the dissociation of pairs of ordinary vortices, the second phase transition is to be associated with dissociation of pairs of fractional vortices. The general statements are illustrated with a number of examples

Cosmological implications of the transition from the false vacuum to the true vacuum state

Energy Technology Data Exchange (ETDEWEB)

Stachowski, Aleksander [Jagiellonian University, Astronomical Observatory, Krakow (Poland); Szydlowski, Marek [Jagiellonian University, Astronomical Observatory, Krakow (Poland); Jagiellonian University, Mark Kac Complex Systems Research Centre, Krakow (Poland); Urbanowski, Krzysztof [University of Zielona Gora, Institute of Physics, Zielona Gora (Poland)

2017-06-15

We study cosmology with running dark energy. The energy density of dark energy is obtained from the quantum process of transition from the false vacuum state to the true vacuum state. We use the Breit-Wigner energy distribution function to model the quantum unstable systems and obtain the energy density of the dark energy parametrization ρ{sub de}(t). We also use Krauss and Dent's idea linking properties of the quantum mechanical decay of unstable states with the properties of the observed Universe. In the cosmological model with this parametrization there is an energy transfer between dark matter and dark energy. The intensity of this process, measured by a parameter α, distinguishes two scenarios. As the Universe starts from the false vacuum state, for the small value of α (0 < α < 0.4) it goes through an intermediate oscillatory (quantum) regime of the density of dark energy, while for α > 0.4 the density of the dark energy jumps down. In both cases the present value of the density of dark energy is reached. From a statistical analysis we find this model to be in good agreement with the astronomical data and practically indistinguishable from the ΛCDM model. (orig.)

Boundary-layer transition prediction using a simplified correlation-based model

Directory of Open Access Journals (Sweden)

Xia Chenchao

2016-02-01

Full Text Available This paper describes a simplified transition model based on the recently developed correlation-based γ-Reθt transition model. The transport equation of transition momentum thickness Reynolds number is eliminated for simplicity, and new transition length function and critical Reynolds number correlation are proposed. The new model is implemented into an in-house computational fluid dynamics (CFD code and validated for low and high-speed flow cases, including the zero pressure flat plate, airfoils, hypersonic flat plate and double wedge. Comparisons between the simulation results and experimental data show that the boundary-layer transition phenomena can be reasonably illustrated by the new model, which gives rise to significant improvements over the fully laminar and fully turbulent results. Moreover, the new model has comparable features of accuracy and applicability when compared with the original γ-Reθt model. In the meantime, the newly proposed model takes only one transport equation of intermittency factor and requires fewer correlations, which simplifies the original model greatly. Further studies, especially on separation-induced transition flows, are required for the improvement of the new model.

Cell-State Transitions Regulated by SLUG Are Critical for Tissue Regeneration and Tumor Initiation

Directory of Open Access Journals (Sweden)

Sarah Phillips

2014-05-01

Full Text Available Perturbations in stem cell activity and differentiation can lead to developmental defects and cancer. We use an approach involving a quantitative model of cell-state transitions in vitro to gain insights into how SLUG/SNAI2, a key developmental transcription factor, modulates mammary epithelial stem cell activity and differentiation in vivo. In the absence of SLUG, stem cells fail to transition into basal progenitor cells, while existing basal progenitor cells undergo luminal differentiation; together, these changes result in abnormal mammary architecture and defects in tissue function. Furthermore, we show that in the absence of SLUG, mammary stem cell activity necessary for tissue regeneration and cancer initiation is lost. Mechanistically, SLUG regulates differentiation and cellular plasticity by recruiting the chromatin modifier lysine-specific demethylase 1 (LSD1 to promoters of lineage-specific genes to repress transcription. Together, these results demonstrate that SLUG plays a dual role in repressing luminal epithelial differentiation while unlocking stem cell transitions necessary for tumorigenesis.

Topological phase transitions in the gauged BPS baby Skyrme model

International Nuclear Information System (INIS)

Adam, C.; Naya, C.; Romanczukiewicz, T.; Sanchez-Guillen, J.; Wereszczynski, A.

2015-01-01

We demonstrate that the gauged BPS baby Skyrme model with a double vacuum potential allows for phase transitions from a non-solitonic to a solitonic phase, where the latter corresponds to a ferromagnetic liquid. Such a transition can be generated by increasing the external pressure P or by turning on an external magnetic field H. As a consequence, the topological phase where gauged BPS baby skyrmions exist, is a higher density phase. For smaller densities, obtained for smaller values of P and H, a phase without solitons is reached. We find the critical line in the P,H parameter space. Furthermore, in the soliton phase, we find the equation of state for the baby skyrmion matter V=V(P,H) at zero temperature, where V is the “volume”, i.e., area of the solitons.

Topological phase transitions in the gauged BPS baby Skyrme model

Energy Technology Data Exchange (ETDEWEB)

Adam, C.; Naya, C. [Departamento de Física de Partículas, Universidad de Santiago de Compostela andInstituto Galego de Física de Altas Enerxias (IGFAE), Santiago de Compostela, E-15782 (Spain); Romanczukiewicz, T. [Institute of Physics, Jagiellonian University, Lojasiecza 11, Kraków, 30-348 (Poland); Sanchez-Guillen, J. [Departamento de Física de Partículas, Universidad de Santiago de Compostela andInstituto Galego de Física de Altas Enerxias (IGFAE), Santiago de Compostela, E-15782 (Spain); Wereszczynski, A. [Institute of Physics, Jagiellonian University, Lojasiecza 11, Kraków, 30-348 (Poland)

2015-05-29

We demonstrate that the gauged BPS baby Skyrme model with a double vacuum potential allows for phase transitions from a non-solitonic to a solitonic phase, where the latter corresponds to a ferromagnetic liquid. Such a transition can be generated by increasing the external pressure P or by turning on an external magnetic field H. As a consequence, the topological phase where gauged BPS baby skyrmions exist, is a higher density phase. For smaller densities, obtained for smaller values of P and H, a phase without solitons is reached. We find the critical line in the P,H parameter space. Furthermore, in the soliton phase, we find the equation of state for the baby skyrmion matter V=V(P,H) at zero temperature, where V is the “volume”, i.e., area of the solitons.

Electroweak phase transitions

International Nuclear Information System (INIS)

Anderson, G.W.

1991-01-01

An analytic treatment of the one Higgs doublet, electroweak phase transition is given. The phase transition is first order, occurs by the nucleation of thin walled bubbles and completes at a temperature where the order parameter, left-angle φ right-angle T is significantly smaller than it is when the origin becomes absolutely unstable. The rate of anomalous baryon number violation is an exponentially function of left-angle φ right-angle T . In very minimal extensions of the standard model it is quite easy to increase left-angle φ right-angle T so that anomalous baryon number violation is suppressed after completion of the phase transition. Hence baryogenesis at the electroweak phase transition is tenable in minimal of the standard model. In some cases additional phase transitions are possible. For a light Higgs boson, when the top quark mass is sufficiently large, the state where the Higgs field has a vacuum expectation value left-angle φ right-angle = 246 GeV is not the true minimum of the Higgs potential. When this is the case, and when the top quark mass exceeds some critical value, thermal fluctuations in the early universe would have rendered the state left-angle φ right-angle = 246 GeV unstable. The requirement that the state left-angle φ right-angle = 246 GeV is sufficiently long lived constrains the masses of the Higgs boson and the top quark. Finally, we consider whether local phase transitions can be induced by heavy particles which act as seeds for deformations in the scalar field

E2 transition probabilities between Nilsson states in odd-A nuclei

International Nuclear Information System (INIS)

Krpic, D.K.; Savic, I.M.; Anicin, I.V.

1976-01-01

Presented here are the matrices needed for the calculation of E2 transition probabilities between all pairs of Nilsson states with ΔN = 0 and ΔK = 0, 1, 2. The needed coefficients of states are tabulated by Nilsson and by Davidson

Phase Transitions in Definite Total Spin States of Two-Component Fermi Gases.

Science.gov (United States)

Yurovsky, Vladimir A

2017-05-19

Second-order phase transitions have no latent heat and are characterized by a change in symmetry. In addition to the conventional symmetric and antisymmetric states under permutations of bosons and fermions, mathematical group-representation theory allows for non-Abelian permutation symmetry. Such symmetry can be hidden in states with defined total spins of spinor gases, which can be formed in optical cavities. The present work shows that the symmetry reveals itself in spin-independent or coordinate-independent properties of these gases, namely as non-Abelian entropy in thermodynamic properties. In weakly interacting Fermi gases, two phases appear associated with fermionic and non-Abelian symmetry under permutations of particle states, respectively. The second-order transitions between the phases are characterized by discontinuities in specific heat. Unlike other phase transitions, the present ones are not caused by interactions and can appear even in ideal gases. Similar effects in Bose gases and strong interactions are discussed.

Visualization of the Differential Transition State Stabilization within the Active Site Environment

Directory of Open Access Journals (Sweden)

Jerzy Leszczynski

2004-05-01

Full Text Available Abstract: Increasing interest in the enzymatic reaction mechanisms and in the nature of catalytic effects in enzymes causes the need of appropriate visualization methods. A new interactive method to investigate catalytic effects using differential transition state stabilization approach (DTSS [1, 2] is presented. The catalytic properties of the active site of cytidine deaminase (E.C. 3.5.4.5 is visualized in the form of differential electrostatic properties. The visualization was implemented using scripting interface of VMD [3]. Cumulative Atomic Multipole Moments (CAMM [4,5,6] were utilized for efficient yet accurate evaluation of the electrostatic properties. The implementation is efficient enough for interactive presentation of catalytic effects in the active site of the enzyme due to transition state or substrate movement. This system of visualization of DTTS approach can be potentially used to validate hypotheses regarding the catalytic mechanism or to study binding properties of transition state analogues.

Two kinds of phase transitions in a voting model

Science.gov (United States)

Hisakado, M.; Mori, S.

2012-08-01

In this paper, we discuss a voting model with two candidates, C0 and C1. We consider two types of voters—herders and independents. The voting of independents is based on their fundamental values, while the voting of herders is based on the number of previous votes. We can identify two kinds of phase transitions. One is an information cascade transition similar to a phase transition seen in the Ising model. The other is a transition of super and normal diffusions. These phase transitions coexist. We compared our results to the conclusions of experiments and identified the phase transitions in the upper limit of the time t by using the analysis of human behavior obtained from experiments.

Metal-insulator transitions

Science.gov (United States)

Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori

1998-10-01

Metal-insulator transitions are accompanied by huge resistivity changes, even over tens of orders of magnitude, and are widely observed in condensed-matter systems. This article presents the observations and current understanding of the metal-insulator transition with a pedagogical introduction to the subject. Especially important are the transitions driven by correlation effects associated with the electron-electron interaction. The insulating phase caused by the correlation effects is categorized as the Mott Insulator. Near the transition point the metallic state shows fluctuations and orderings in the spin, charge, and orbital degrees of freedom. The properties of these metals are frequently quite different from those of ordinary metals, as measured by transport, optical, and magnetic probes. The review first describes theoretical approaches to the unusual metallic states and to the metal-insulator transition. The Fermi-liquid theory treats the correlations that can be adiabatically connected with the noninteracting picture. Strong-coupling models that do not require Fermi-liquid behavior have also been developed. Much work has also been done on the scaling theory of the transition. A central issue for this review is the evaluation of these approaches in simple theoretical systems such as the Hubbard model and t-J models. Another key issue is strong competition among various orderings as in the interplay of spin and orbital fluctuations. Experimentally, the unusual properties of the metallic state near the insulating transition have been most extensively studied in d-electron systems. In particular, there is revived interest in transition-metal oxides, motivated by the epoch-making findings of high-temperature superconductivity in cuprates and colossal magnetoresistance in manganites. The article reviews the rich phenomena of anomalous metallicity, taking as examples Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Ru compounds. The diverse phenomena include strong spin and

Steps for Implementing a State-Level Professional Development Plan for Secondary Transition

Science.gov (United States)

Mazzotti, Valerie L.; Rowe, Dawn A.; Simonsen, Monica; Boaz, Bonnie; VanAvery, Cynthia

2018-01-01

To scale up and sustain the use of evidence-based practices, it is imperative that state education agencies systematically implement professional development that represents best practice. By delivering quality professional development to local districts, it is more likely that transition personnel will implement transition programs and practices…

Long-range string orders and topological quantum phase transitions in the one-dimensional quantum compass model.

Science.gov (United States)

Wang, Hai Tao; Cho, Sam Young

2015-01-14

In order to investigate the quantum phase transition in the one-dimensional quantum compass model, we numerically calculate non-local string correlations, entanglement entropy and fidelity per lattice site by using the infinite matrix product state representation with the infinite time evolving block decimation method. In the whole range of the interaction parameters, we find that four distinct string orders characterize the four different Haldane phases and the topological quantum phase transition occurs between the Haldane phases. The critical exponents of the string order parameters β = 1/8 and the cental charges c = 1/2 at the critical points show that the topological phase transitions between the phases belong to an Ising type of universality classes. In addition to the string order parameters, the singularities of the second derivative of the ground state energies per site, the continuous and singular behaviors of the Von Neumann entropy and the pinch points of the fidelity per lattice site manifest that the phase transitions between the phases are of the second-order, in contrast to the first-order transition suggested in previous studies.

Heterogeneous distribution of water in the mantle transition zone beneath United States inferred from seismic observations

Science.gov (United States)

Wang, Y.; Pavlis, G. L.; Li, M.

2017-12-01

The amount of water in the Earth's deep mantle is critical for the evolution of the solid Earth and the atmosphere. Mineral physics studies have revealed that Wadsleyite and Ringwoodite in the mantle transition zone could store several times the volume of water in the ocean. However, the water content and its distribution in the transition zone remain enigmatic due to lack of direct observations. Here we use seismic data from the full deployment of the Earthscope Transportable Array to produce 3D image of P to S scattering of the mantle transition zone beneath the United States. We compute the image volume from 141,080 pairs of high quality receiver functions defined by the Earthscope Automated Receiver Survey, reprocessed by the generalized iterative deconvolution method and imaged by the plane wave migration method. We find that the transition zone is filled with previously unrecognized small-scale heterogeneities that produce pervasive, negative polarity P to S conversions. Seismic synthetic modeling using a point source simulation method suggests two possible structures for these objects: 1) a set of randomly distributed blobs of slight difference in size, and 2) near vertical diapir structures from small scale convections. Combining with geodynamic simulations, we interpret the observation as compositional heterogeneity from small-scale, low-velocity bodies that are water enriched. Our results indicate there is a heterogeneous distribution of water through the entire mantle transition zone beneath the contiguous United States.

Lifetime measurements and dipole transition rates for superdeformed states in 190Hg

International Nuclear Information System (INIS)

Amro, H.

1999-01-01

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 190 Hg. Intrinsic quadruple moments Q 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

Walking associated with public transit: moving toward increased physical activity in the United States.

Science.gov (United States)

Freeland, Amy L; Banerjee, Shailendra N; Dannenberg, Andrew L; Wendel, Arthur M

2013-03-01

We assessed changes in transit-associated walking in the United States from 2001 to 2009 and documented their importance to public health. 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. 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). 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.

Modeling epileptic brain states using EEG spectral analysis and topographic mapping.

Science.gov (United States)

Direito, Bruno; Teixeira, César; Ribeiro, Bernardete; Castelo-Branco, Miguel; Sales, Francisco; Dourado, António

2012-09-30

Changes in the spatio-temporal behavior of the brain electrical activity are believed to be associated to epileptic brain states. We propose a novel methodology to identify the different states of the epileptic brain, based on the topographic mapping of the time varying relative power of delta, theta, alpha, beta and gamma frequency sub-bands, estimated from EEG. Using normalized-cuts segmentation algorithm, points of interest are identified in the topographic mappings and their trajectories over time are used for finding out relations with epileptogenic propagations in the brain. These trajectories are used to train a Hidden Markov Model (HMM), which models the different epileptic brain states and the transition among them. Applied to 10 patients suffering from focal seizures, with a total of 30 seizures over 497.3h of data, the methodology shows good results (an average point-by-point accuracy of 89.31%) for the identification of the four brain states--interictal, preictal, ictal and postictal. The results suggest that the spatio-temporal dynamics captured by the proposed methodology are related to the epileptic brain states and transitions involved in focal seizures. Copyright © 2012 Elsevier B.V. All rights reserved.

Cell reprogramming modelled as transitions in a hierarchy of cell cycles

International Nuclear Information System (INIS)

Hannam, Ryan; Annibale, Alessia; Kühn, Reimer

2017-01-01

We construct a model of cell reprogramming (the conversion of fully differentiated cells to a state of pluripotency, known as induced pluripotent stem cells, or iPSCs) which builds on key elements of cell biology viz. cell cycles and cell lineages. Although reprogramming has been demonstrated experimentally, much of the underlying processes governing cell fate decisions remain unknown. This work aims to bridge this gap by modelling cell types as a set of hierarchically related dynamical attractors representing cell cycles. Stages of the cell cycle are characterised by the configuration of gene expression levels, and reprogramming corresponds to triggering transitions between such configurations. Two mechanisms were found for reprogramming in a two level hierarchy: cycle specific perturbations and a noise induced switching. The former corresponds to a directed perturbation that induces a transition into a cycle-state of a different cell type in the potency hierarchy (mainly a stem cell) whilst the latter is a priori undirected and could be induced, e.g. by a (stochastic) change in the cellular environment. These reprogramming protocols were found to be effective in large regimes of the parameter space and make specific predictions concerning reprogramming dynamics which are broadly in line with experimental findings. (paper)

Efficiently reducing transition curvature in heat-assisted magnetic recording with state-of-the-art write heads

Science.gov (United States)

Vogler, Christoph; Abert, Claas; Bruckner, Florian; Suess, Dieter

2017-05-01

Curvatures of bit transitions on granular media are a serious problem for the read-back process. We address this fundamental issue and propose a possibility to efficiently reduce transition curvatures with state-of-the-art heat-assisted magnetic recording heads. We compare footprints of conventional with those of the proposed head design on different media, consisting of exchange coupled and single phase grains. Additionally, we investigate the impact of various recording parameters, such as the full width at half maximum (FWHM) of the applied heat pulse and the coercivity gradient near the write temperature of the recording grains. The footprints are calculated with a coarse grained model, based on the Landau-Lifshitz-Bloch equation. The presented simulations show a transition curvature reduction of up to 40%, in the case of a medium with exchange coupled grains and a heat pulse with a FWHM of 40 nm. We further give the reason for the straightening of the bit transitions, by means of basic considerations with regard to the effective recording time window of the write process. Besides the transition curvature reduction, the proposed head design yields an improvement of the transition jitter in both down-track and off-track directions.

Modeling and analysis of LiFePO4/Carbon battery considering two-phase transition during galvanostatic charging/discharging

International Nuclear Information System (INIS)

Li, Xueyan; Xiao, Meng; Choe, Song-Yul; Joe, Won Tae

2015-01-01

Highlights: • Reduced order model for LiFePO 4 particles considering two-phase transition • Model validation with experimental results of current and voltage • Analysis of two-phase transition and path dependence - Abstract: Batteries with lithium iron phosphate (LFP) cathode and carbon anode have shown various advantages over those with other chemistries, but the plateau and path dependence caused by the two-phase transition taking place during charging and discharging make it difficult to estimate the states of battery. Thus, based on electrochemical principles we propose a new reduced order model that has been validated against experimental data obtained during galvanostatic charging/discharging. The mechanism of the two-phase transition during lithiation and delithiation in LFP particles is approximated using a shrinking corewith a moving interface between the two phases and is described by modified diffusion equations that take into account multiple layers formed within LFP particles. The shrinking core model is integrated into a cell model developed previously, which is used to analyze the path dependence at different load profiles. The results show that the model is capable of representing the characteristics of the plateau and path dependence. Particularly, the available charge at a certain State of Charge (SOC) varies dependent upon paths to reach the SOC. When an initial SOC is reached by discharging, the cell can accept more charges during charging, while when an initial SOC is reached by charging, more charge will be available during discharging

Two kinds of Phase transitions in a Voting model

OpenAIRE

Hisakado, Masato; Mori, Shintaro

2012-01-01

In this paper, we discuss a voting model with two candidates, C_0 and C_1. We consider two types of voters--herders and independents. The voting of independents is based on their fundamental values; on the other hand, the voting of herders is based on the number of previous votes. We can identify two kinds of phase transitions. One is an information cascade transition similar to a phase transition seen in Ising model. The other is a transition of super and normal diffusions. These phase trans...

Grassland to shrubland state transitions enhance carbon sequestration in the northern Chihuahuan Desert.

Science.gov (United States)

Petrie, M D; Collins, S L; Swann, A M; Ford, P L; Litvak, M E

2015-03-01

The replacement of native C4 -dominated grassland by C3 -dominated shrubland is considered an ecological state transition where different ecological communities can exist under similar environmental conditions. These state transitions are occurring globally, and may be exacerbated by climate change. One consequence of the global increase in woody vegetation may be enhanced ecosystem carbon sequestration, although the responses of arid and semiarid ecosystems may be highly variable. During a drier than average period from 2007 to 2011 in the northern Chihuahuan Desert, we found established shrubland to sequester 49 g C m(-2) yr(-1) on average, while nearby native C4 grassland was a net source of 31 g C m(-2) yr(-1) over this same period. Differences in C exchange between these ecosystems were pronounced--grassland had similar productivity compared to shrubland but experienced higher C efflux via ecosystem respiration, while shrubland was a consistent C sink because of a longer growing season and lower ecosystem respiration. At daily timescales, rates of carbon exchange were more sensitive to soil moisture variation in grassland than shrubland, such that grassland had a net uptake of C when wet but lost C when dry. Thus, even under unfavorable, drier than average climate conditions, the state transition from grassland to shrubland resulted in a substantial increase in terrestrial C sequestration. These results illustrate the inherent tradeoffs in quantifying ecosystem services that result from ecological state transitions, such as shrub encroachment. In this case, the deleterious changes to ecosystem services often linked to grassland to shrubland state transitions may at least be partially offset by increased ecosystem carbon sequestration. © 2014 John Wiley & Sons Ltd.

SDF1-CXCR4 Signaling Contributes to the Transition from Acute to Chronic Pain State.

Science.gov (United States)

Yang, Fei; Sun, Wei; Luo, Wen-Jun; Yang, Yan; Yang, Fan; Wang, Xiao-Liang; Chen, Jun

2017-05-01

Emerging evidence has demonstrated the involvement of stromal cell-derived factor 1 (SDF1, also known as CXCL12)-CXCR4 signaling in a variety of pain state. However, the underlying mechanisms of SDF1-CXCR4 signaling leading to the maintenance of chronic pain states are poorly understood. In the present study, we sought to explore the role of SDF1-CXCR4 signaling in the forming of neuroplasticity by applying a model of the transition from acute to chronic pain state, named as hyperalgesic priming. Utilizing intraplantar bee venom (BV) injection, we successfully established hyperalgesic priming state and found that peripheral treating with AMD3100, a CXCR4 antagonist, or knocking down CXCR4 by intraganglionar CXCR4 small interfering RNA (siRNA) injection could prevent BV-induced primary mechanical hyperalgesia and hyperalgesic priming. Moreover, we showed that single intraplantar active SDF1 protein injection is sufficient to induce acute mechanical hyperalgesia and hyperalgesic priming through CXC4. Intraplantar coinjection of ERK inhibitor, U0126, and PI3K inhibitor, LY294002, as well as two protein translation inhibitors, temsirolimus and cordycepin, prevented the development of SDF1-induced acute mechanical hyperalgesia and hyperalgesic priming. Finally, on the models of complete Freund's adjuvant (CFA)-induced chronic inflammatory pain and spared nerve injury (SNI)-induced chronic neuropathic pain, we observed that knock-down of CXCR4 could both prevent the development and reverse the maintenance of chronic pain state. In conclusion, our present data suggested that through regulating ERK and PI3K-AKT pathways-mediated protein translation SDF1-CXCR4 signaling mediates the transition from acute pain to chronic pain state and finally contributes to the development and maintenance of chronic pain.

On the phase transition nature in compressible Ising models

International Nuclear Information System (INIS)

Ota, A.T.

1985-01-01

The phase transition phenomenon is analysed in a compressible ferromagnetic Ising model at null field, through the mean-field approximation. The model studied is d-dimensional under the magnetic point of view and one-dimensional under the elastic point of view. This is achieved keeping the compressive interactions among the ions and rejecting annealing forces completely. The exchange parameter J is linear and the elastic potential quadratic in relation to the microscopic shifts of the lattice. In the one-dimensional case, this model shows no phase transition. In the two-dimensional case, the role of the S i spin of the i-the ion is crucial: a) for spin 1/2 the transitions are of second order; b) for spin 1, desides the second order transitions there is a three-critical point and a first-order transitions line. (L.C.) [pt

Multiple phase transitions in the generalized Curie-Weiss model

International Nuclear Information System (INIS)

Eisele, T.; Ellis, R.S.

1988-01-01

The generalized Curie-Weiss model is an extension of the classical Curie-Weiss model in which the quadratic interaction function of the mean spin value is replaced by a more general interaction function. It is shown that the generalized Curie-Weiss model can have a sequence of phase transitions at different critical temperatures. Both first-order and second-order phase transitions can occur, and explicit criteria for the two types are given. Three examples of generalized Curie-Weiss models are worked out in detail, including one example with infinitely many phase transitions. A number of results are derived using large-deviation techniques

Effective field theory with differential operator technique for dynamic phase transition in ferromagnetic Ising model

International Nuclear Information System (INIS)

Kinoshita, Takehiro; Fujiyama, Shinya; Idogaki, Toshihiro; Tokita, Masahiko

2009-01-01

The non-equilibrium phase transition in a ferromagnetic Ising model is investigated by use of a new type of effective field theory (EFT) which correctly accounts for all the single-site kinematic relations by differential operator technique. In the presence of a time dependent oscillating external field, with decrease of the temperature the system undergoes a dynamic phase transition, which is characterized by the period averaged magnetization Q, from a dynamically disordered state Q = 0 to the dynamically ordered state Q ≠ 0. The results of the dynamic phase transition point T c determined from the behavior of the dynamic magnetization and the Liapunov exponent provided by EFT are improved than that of the standard mean field theory (MFT), especially for the one dimensional lattice where the standard MFT gives incorrect result of T c = 0 even in the case of zero external field.

State governance evolution in resource-rich transition economies: An application to Russia and Kazakhstan

Energy Technology Data Exchange (ETDEWEB)

Kalyuzhnova, Yelena; Nygaard, Christian [The Centre for Euro-Asian Studies, The University of Reading, Whiteknights, PO Box, Reading RG6 6AA (United Kingdom)

2008-06-15

Following a decade of transition in the Former Soviet Union (FSU), governance of the oil and gas sectors has evolved to economic nationalism. In the newly independent states this has manifested itself through greater (direct) state ownership or participation in oil and gas production, at the expense of both domestic (in the case of Russia) and international oil companies, as well as legislative developments that increase the flow of oil and gas value to the state. Here we analyse some of the dynamics giving rise to economic nationalism within a model of a state capacity and the ability to implement policy and extract value. Our analysis is based on the institutional and economic functioning of the oil and gas sector. We analyse a vector of institutions and examine Production Sharing Agreements and National Oil Companies. (author)