New transition in the vortex liquid state of YBa2Cu3O7-δ

International Nuclear Information System (INIS)

Kwok, Wai-Kwong; Karapetrov, Goran; Welp, Ulrich; Rydh, Andreas; Crabtree, George W.; Paulius, Lisa; Figueras, Jordi; Puig, Teresa; Obradors, X.

2006-01-01

We have carried out angular dependent magneto-transport measurements on optimally doped, untwinned YBa 2 Cu 3 O 7-δ crystals irradiated with high energy heavy ions to determine the onset of vortex line tension in the vortex liquid state. The dose matching field was controlled and kept at a low level to partially preserve the first order vortex lattice melting transition. A Bose glass transition is observed below the lower critical point which then transforms into a first order phase transition near 4 T. We find that the locus of points which indicates the onset of vortex line tension overlaps with the Bose glass transition line at low fields and then deviates at higher fields, indicating a new transition line in the vortex liquid state. This new line in the vortex liquid phase is dose independent and extends beyond the upper critical point

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.

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

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.

GENESIS - The GENEric SImulation System for Modelling State Transitions.

Science.gov (United States)

Gillman, Matthew S

2017-09-20

This software implements a discrete time Markov chain model, used to model transitions between states when the transition probabilities are known a priori . It is highly configurable; the user supplies two text files, a "state transition table" and a "config file", to the Perl script genesis.pl. Given the content of these files, the script generates a set of C++ classes based on the State design pattern, and a main program, which can then be compiled and run. The C++ code generated is based on the specification in the text files. Both multiple branching and bi-directional transitions are allowed. The software has been used to model the natural histories of colorectal cancer in Mexico. Although written primarily to model such disease processes, it can be used in any process which depends on discrete states with known transition probabilities between those states. One suitable area may be in environmental modelling. A test suite is supplied with the distribution. Due to its high degree of configurability and flexibility, this software has good re-use potential. It is stored on the Figshare repository.

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...

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.

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

Energy Demand Modeling Methodology of Key State Transitions of Turning Processes

Directory of Open Access Journals (Sweden)

Shun Jia

2017-04-01

Full Text Available Energy demand modeling of machining processes is the foundation of energy optimization. Energy demand of machining state transition is integral to the energy requirements of the machining process. However, research focus on energy modeling of state transition is scarce. To fill this gap, an energy demand modeling methodology of key state transitions of the turning process is proposed. The establishment of an energy demand model of state transition could improve the accuracy of the energy model of the machining process, which also provides an accurate model and reliable data for energy optimization of the machining process. Finally, case studies were conducted on a CK6153i CNC lathe, the results demonstrating that predictive accuracy with the proposed method is generally above 90% for the state transition cases.

Comparative Analysis of Light-Harvesting Antennae and State Transition in chlorina and cpSRP Mutants.

Science.gov (United States)

Wang, Peng; Grimm, Bernhard

2016-11-01

State transitions in photosynthesis provide for the dynamic allocation of a mobile fraction of light-harvesting complex II (LHCII) to photosystem II (PSII) in state I and to photosystem I (PSI) in state II. In the state I-to-state II transition, LHCII is phosphorylated by STN7 and associates with PSI to favor absorption cross-section of PSI. Here, we used Arabidopsis (Arabidopsis thaliana) mutants with defects in chlorophyll (Chl) b biosynthesis or in the chloroplast signal recognition particle (cpSRP) machinery to study the flexible formation of PS-LHC supercomplexes. Intriguingly, we found that impaired Chl b biosynthesis in chlorina1-2 (ch1-2) led to preferentially stabilized LHCI rather than LHCII, while the contents of both LHCI and LHCII were equally depressed in the cpSRP43-deficient mutant (chaos). In view of recent findings on the modified state transitions in LHCI-deficient mutants (Benson et al., 2015), the ch1-2 and chaos mutants were used to assess the influence of varying LHCI/LHCII antenna size on state transitions. Under state II conditions, LHCII-PSI supercomplexes were not formed in both ch1-2 and chaos plants. LHCII phosphorylation was drastically reduced in ch1-2, and the inactivation of STN7 correlates with the lack of state transitions. In contrast, phosphorylated LHCII in chaos was observed to be exclusively associated with PSII complexes, indicating a lack of mobile LHCII in chaos Thus, the comparative analysis of ch1-2 and chaos mutants provides new evidence for the flexible organization of LHCs and enhances our understanding of the reversible allocation of LHCII to the two photosystems. © 2016 American Society of Plant Biologists. All Rights Reserved.

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

Transitional states of central serotonin receptors in Parkinson's disease

International Nuclear Information System (INIS)

Kienzl, E.; Riederer, P.; Jellinger, K.; Wesemann, W.; Marburg Univ.

1981-01-01

Crude membrane preparations from the frontal cortex of controls and pakinsonian patients were used to demonstrate affinity changes of the specific 3 H-5-hydroxytryptamine (5-HT) binding sites. Two such sites were noteable in controls, a finding consistent with earlier observations. In Parkinson's disease, both high- and low-affinity sites are significantly decreased. Additional experiments either with prolonged incubation times or pre-incubation with N-ethylmaleimide change the two affinities to a single high-affinity or low-affinity constant. The concept of transitional states of 5-HT receptors is discussed and seems to have important implications in the treatment of parkinsonism. (author)

Transitional states of central serotonin receptors in Parkinson's disease

Energy Technology Data Exchange (ETDEWEB)

Kienzl, E; Riederer, P; Jellinger, K; Wesemann, W [Krankenhaus der Stadt Wien-Lainz (Austria). Ludwig Boltzmann Inst. fuer Neurobiologie; Marburg Univ. (Germany, F.R.). Inst. fuer Physiologie II, Abt. fuer Neurochemie)

1981-01-01

Crude membrane preparations from the frontal cortex of controls and pakinsonian patients were used to demonstrate affinity changes of the specific /sup 3/H-5-hydroxytryptamine (5-HT) binding sites. Two such sites were noteable in controls, a finding consistent with earlier observations. In Parkinson's disease, both high- and low-affinity sites are significantly decreased. Additional experiments either with prolonged incubation times or pre-incubation with N-ethylmaleimide change the two affinities to a single high-affinity or low-affinity constant. The concept of transitional states of 5-HT receptors is discussed and seems to have important implications in the treatment of parkinsonism.

A Model of Mental State Transition Network

Science.gov (United States)

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

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

Symptoms experienced during menopausal transition: Korean women in South Korea and the United States.

Science.gov (United States)

Im, Eun-Ok

2003-10-01

This article reports on cultural influences on symptoms experienced during menopausal transition of Korean women in South Korea and Korean immigrant women in the United States. Data from independent studies of two groups of Korean women were triangulated and analyzed using descriptive and inferential statistics. The analysis indicated that Korean women in South Korea tended to report more symptoms than Korean immigrant women in the United States. Types and severity of prevalent symptoms were also found to be different between the two groups. The findings suggest that recent introduction of menopausal industries in South Korea and contextual influences on Korean women's work and immigration in the United States would be the reason for differences. Based on the findings, implications for future research are proposed.

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.

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)

A universal indicator of critical state transitions in noisy complex networked systems.

Science.gov (United States)

Liang, Junhao; Hu, Yanqing; Chen, Guanrong; Zhou, Tianshou

2017-02-23

Critical transition, a phenomenon that a system shifts suddenly from one state to another, occurs in many real-world complex networks. We propose an analytical framework for exactly predicting the critical transition in a complex networked system subjected to noise effects. Our prediction is based on the characteristic return time of a simple one-dimensional system derived from the original higher-dimensional system. This characteristic time, which can be easily calculated using network data, allows us to systematically separate the respective roles of dynamics, noise and topology of the underlying networked system. We find that the noise can either prevent or enhance critical transitions, playing a key role in compensating the network structural defect which suffers from either internal failures or environmental changes, or both. Our analysis of realistic or artificial examples reveals that the characteristic return time is an effective indicator for forecasting the sudden deterioration of complex networks.

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

Comparative Analysis of Light-Harvesting Antennae and State Transition in chlorina and cpSRP Mutants1[OPEN

Science.gov (United States)

Wang, Peng

2016-01-01

State transitions in photosynthesis provide for the dynamic allocation of a mobile fraction of light-harvesting complex II (LHCII) to photosystem II (PSII) in state I and to photosystem I (PSI) in state II. In the state I-to-state II transition, LHCII is phosphorylated by STN7 and associates with PSI to favor absorption cross-section of PSI. Here, we used Arabidopsis (Arabidopsis thaliana) mutants with defects in chlorophyll (Chl) b biosynthesis or in the chloroplast signal recognition particle (cpSRP) machinery to study the flexible formation of PS-LHC supercomplexes. Intriguingly, we found that impaired Chl b biosynthesis in chlorina1-2 (ch1-2) led to preferentially stabilized LHCI rather than LHCII, while the contents of both LHCI and LHCII were equally depressed in the cpSRP43-deficient mutant (chaos). In view of recent findings on the modified state transitions in LHCI-deficient mutants (Benson et al., 2015), the ch1-2 and chaos mutants were used to assess the influence of varying LHCI/LHCII antenna size on state transitions. Under state II conditions, LHCII-PSI supercomplexes were not formed in both ch1-2 and chaos plants. LHCII phosphorylation was drastically reduced in ch1-2, and the inactivation of STN7 correlates with the lack of state transitions. In contrast, phosphorylated LHCII in chaos was observed to be exclusively associated with PSII complexes, indicating a lack of mobile LHCII in chaos. Thus, the comparative analysis of ch1-2 and chaos mutants provides new evidence for the flexible organization of LHCs and enhances our understanding of the reversible allocation of LHCII to the two photosystems. PMID:27663408

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)

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

Science.gov (United States)

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

2016-07-15

Identifying the critical state or pre-transition state just before the occurrence of a phase transition is a challenging task, because the state of the system may show little apparent change before this critical transition during the gradual parameter variations. Such dynamics of phase transition is generally composed of three stages, i.e. before-transition state, pre-transition state and after-transition state, which can be considered as three different Markov processes. By exploring the rich dynamical information provided by high-throughput data, we present a novel computational method, i.e. hidden Markov model (HMM) based approach, to detect the switching point of the two Markov processes from the before-transition state (a stationary Markov process) to the pre-transition state (a time-varying Markov process), thereby identifying the pre-transition state or early-warning signals of the phase transition. To validate the effectiveness, we apply this method to detect the signals of the imminent phase transitions of complex systems based on the simulated datasets, and further identify the pre-transition states as well as their critical modules for three real datasets, i.e. the acute lung injury triggered by phosgene inhalation, MCF-7 human breast cancer caused by heregulin and HCV-induced dysplasia and hepatocellular carcinoma. Both functional and pathway enrichment analyses validate the computational results. The source code and some supporting files are available at https://github.com/rabbitpei/HMM_based-method lnchen@sibs.ac.cn or liyj@scut.edu.cn Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

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.

Predicting landscape vegetation dynamics using state-and-transition simulation models

Science.gov (United States)

Colin J. Daniel; Leonardo. Frid

2012-01-01

This paper outlines how state-and-transition simulation models (STSMs) can be used to project changes in vegetation over time across a landscape. STSMs are stochastic, empirical simulation models that use an adapted Markov chain approach to predict how vegetation will transition between states over time, typically in response to interactions between succession,...

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.

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.

A Stochastic Description of Transition Between Granular Flow States

International Nuclear Information System (INIS)

Huang Decai; Sun Gang; Lu Kunquan

2007-01-01

Two-dimensional granular flow in a channel with small exit is studied by molecular dynamics simulations. We firstly define a key area near the exit, which is considered to be the choke area of the system. Then we observe the time variation of the local packing fraction and flow rate in this area for several fixed inflow rate, and find that these quantities change abruptly when the transition from dilute flow state to dense flow state happens. A relationship between the local flow rate and the local packing fraction in the key area is also given. The relationship is a continuous function under the fixed particle number condition, and has the characteristic that the flow rate has a maximum at a moderate packing fraction and the packing fraction is terminated at a high value with negative slope. By use of the relationship, the properties of the flow states under the fixed inflow rate condition are discussed in detail, and the discontinuities and the complex time variation behavior observed in the preexisting works are naturally explained by a stochastic process.

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.

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

Pressure-induced magneto-structural transition in iron via a modified solid-state nudged elastic band method

Science.gov (United States)

Zarkevich, Nikolai A.; Johnson, Duane D.

2015-03-01

Materials under pressure may exhibit critical electronic and structural transitions that affect equation of states, as known for superconductors and the magneto-structural transformations of iron with both geophysical and planetary implications. While experiments often use constant-pressure (diamond-anvil cell, DAC) measurements, many theoretical results address a constant-volume transitions, which avoid issues with magnetic collapse but cannot be directly compared to experiment. We establish a modified solid-state nudge elastic band (MSS-NEB) method to handle magnetic systems that may exhibit moment (and volume) collapse during transformation. We apply it to the pressure-induced transformation in iron between the low-pressure body-centered cubic (bcc) and the high-pressure hexagonal close-packed (hcp) phases, find the bcc-hcp equilibrium coexistence pressure and a transitional pathway, and compare to shock and DAC experiments. We use methods developed with support by the U.S. Department of Energy (DE-FG02-03ER46026 and DE-AC02-07CH11358). Ames Laboratory is operated for the DOE by Iowa State University under contract DE-AC02-07CH11358.

Transition to Teaching in Nebraska: Findings from the First Decade

Science.gov (United States)

McCarty, Wendy L.

2013-01-01

Nebraska's alternative teacher certification program, Transition to Teaching, is housed at the University of Nebraska at Kearney. After 10 years in operation, program evaluation was deemed necessary to assess responsiveness to the needs of teacher candidates and the school districts within the state and effectiveness in meeting those needs.…

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

Science.gov (United States)

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

2015-12-01

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

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...

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

The Reaction Mechanism of Claisen Rearrangement Obtained by Transition State Spectroscopy and Single Direct-Dynamics Trajectory

Directory of Open Access Journals (Sweden)

Takayoshi Kobayashi

2013-02-01

Full Text Available Chemical bond breaking and formation during chemical reactions can be observed using “transition state spectroscopy”. Comparing the measurement result of the transition state spectroscopy with the simulation result of single direct-dynamics trajectory, we have elucidated the reaction dynamics of Claisen rearrangement of allyl vinyl ether. Observed the reaction of the neat sample liquid, we have estimated the time constants of transformation from straight-chain structure to aromatic-like six-membered ring structure forming the C1-C6 bond. The result clarifies that the reaction proceeds via three steps taking longer time than expected from the gas phase calculation. This finding provides new hypothesis and discussions, helping the development of the field of reaction mechanism analysis.

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.

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

Science.gov (United States)

Zweig, Christa L.; Kitchens, Wiley M.

2009-01-01

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

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

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.)

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)

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.

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

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.

Interface and phase transition between Moore-Read and Halperin 331 fractional quantum Hall states: Realization of chiral Majorana fermion

Science.gov (United States)

Yang, Kun

2017-12-01

We consider an interface separating the Moore-Read state and Halperin 331 state in a half-filled Landau level, which can be realized in a double quantum well system with varying interwell tunneling and/or interaction strengths. In the presence of electron tunneling and strong Coulomb interactions across the interface, we find that all charge modes localize and the only propagating mode left is a chiral Majorana fermion mode. Methods to probe this neutral mode are proposed. A quantum phase transition between the Moore-Read and Halperin 331 states is described by a network of such Majorana fermion modes. In addition to a direct transition, they may also be separated by a phase in which the Majorana fermions are delocalized, realizing an incompressible state which exhibits quantum Hall charge transport and bulk heat conduction.

Efficient Sampling of the Structure of Crypto Generators' State Transition Graphs

Science.gov (United States)

Keller, Jörg

Cryptographic generators, e.g. stream cipher generators like the A5/1 used in GSM networks or pseudo-random number generators, are widely used in cryptographic network protocols. Basically, they are finite state machines with deterministic transition functions. Their state transition graphs typically cannot be analyzed analytically, nor can they be explored completely because of their size which typically is at least n = 264. Yet, their structure, i.e. number and sizes of weakly connected components, is of interest because a structure deviating significantly from expected values for random graphs may form a distinguishing attack that indicates a weakness or backdoor. By sampling, one randomly chooses k nodes, derives their distribution onto connected components by graph exploration, and extrapolates these results to the complete graph. In known algorithms, the computational cost to determine the component for one randomly chosen node is up to O(√n), which severely restricts the sample size k. We present an algorithm where the computational cost to find the connected component for one randomly chosen node is O(1), so that a much larger sample size k can be analyzed in a given time. We report on the performance of a prototype implementation, and about preliminary analysis for several generators.

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

Science.gov (United States)

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

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

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

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.

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.

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...

Menstrual change during the menopause transition: do women find it problematic?

Science.gov (United States)

Mackey, Sandra

2009-10-20

To describe changes in the characteristics of women's menstrual cycles during the menopause transition and to identify whether such changes are perceived by women as being problematic. A cross-sectional descriptive study using a community-based convenience sample of 119 women aged 37-70 years. Participants completed a questionnaire to obtain data on demographic characteristics, menopausal status and changes to menstrual flow, duration, frequency and regularity. There was a common pattern of menstrual change which was of heavier, less frequent, irregular menstruation. Forty one percent of post-menopausal and 40% of women still in the menopause transition stated that, in terms of overall perception, the changes to menstruation experienced during the menopause transition were not problematic or disruptive. When specific change characteristics were examined, significant differences were found in duration of menses (p=0.014) and cycle irregularity (p=0.005) but no significant differences were found on the amount of flow (p=0.125) or frequency of cycles (p=0.142). Increased duration and increased irregularity of occurrence of each period are problematic for women going through the menopause transition, however, increased amount of menstrual flow at each period and increased frequency of cycles are not problematic changes.

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.

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.

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.

Neuroimaging findings in the at-risk mental state: a review of recent literature.

Science.gov (United States)

Wood, Stephen J; Reniers, Renate L E P; Heinze, Kareen

2013-01-01

The at-risk mental state (ARMS) has been the subject of much interest during the past 15 years. A great deal of effort has been expended to identify neuroimaging markers that can inform our understanding of the risk state and to help predict who will transition to frank psychotic illness. Recently, there has been an explosion of neuroimaging literature from people with an ARMS, which has meant that reviews and meta-analyses lack currency. Here we review papers published in the past 2 years, and contrast their findings with previous reports. While it is clear that people in the ARMS do show brain alterations when compared with healthy control subjects, there is an overall lack of consistency as to which of these alterations predict the development of psychosis. This problem arises because of variations in methodology (in patient recruitment, region of interest, method of analysis, and functional task employed), but there has also been too little effort put into replicating previous research. Nonetheless, there are areas of promise, notably that activation of the stress system and increased striatal dopamine synthesis seem to mark out patients in the ARMS most at risk for later transition. Future studies should focus on these areas, and on network-level analysis, incorporating graph theoretical approaches and intrinsic connectivity networks.

Transition probabilities of health states for workers in Malaysia using a Markov chain model

Science.gov (United States)

Samsuddin, Shamshimah; Ismail, Noriszura

2017-04-01

The aim of our study is to estimate the transition probabilities of health states for workers in Malaysia who contribute to the Employment Injury Scheme under the Social Security Organization Malaysia using the Markov chain model. Our study uses four states of health (active, temporary disability, permanent disability and death) based on the data collected from the longitudinal studies of workers in Malaysia for 5 years. The transition probabilities vary by health state, age and gender. The results show that men employees are more likely to have higher transition probabilities to any health state compared to women employees. The transition probabilities can be used to predict the future health of workers in terms of a function of current age, gender and health state.

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.

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)

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.

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

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.

Pediatric Heart Transplantation: Transitioning to Adult Care (TRANSIT): Baseline Findings.

Science.gov (United States)

Grady, Kathleen L; Hof, Kathleen Van't; Andrei, Adin-Cristian; Shankel, Tamara; Chinnock, Richard; Miyamoto, Shelley; Ambardekar, Amrut V; Anderson, Allen; Addonizio, Linda; Latif, Farhana; Lefkowitz, Debra; Goldberg, Lee; Hollander, Seth A; Pham, Michael; Weissberg-Benchell, Jill; Cool, Nichole; Yancy, Clyde; Pahl, Elfriede

2018-02-01

Young adult solid organ transplant recipients who transfer from pediatric to adult care experience poor outcomes related to decreased adherence to the medical regimen. Our pilot trial for young adults who had heart transplant (HT) who transfer to adult care tests an intervention focused on increasing HT knowledge, self-management and self-advocacy skills, and enhancing support, as compared to usual care. We report baseline findings between groups regarding (1) patient-level outcomes and (2) components of the intervention. From 3/14 to 9/16, 88 subjects enrolled and randomized to intervention (n = 43) or usual care (n = 45) at six pediatric HT centers. Patient self-report questionnaires and medical records data were collected at baseline, and 3 and 6 months after transfer. For this report, baseline findings (at enrollment and prior to transfer to adult care) were analyzed using Chi-square and t-tests. Level of significance was p Baseline demographics were similar in the intervention and usual care arms: age 21.3 ± 3.2 vs 21.5 ± 3.3 years and female 44% vs 49%, respectively. At baseline, there were no differences between intervention and usual care for use of tacrolimus (70 vs 62%); tacrolimus level (mean ± SD = 6.5 ± 2.3 ng/ml vs 5.6 ± 2.3 ng/ml); average of the within patient standard deviation of the baseline mean tacrolimus levels (1.6 vs 1.3); and adherence to the medical regimen [3.6 ± 0.4 vs 3.5 ± 0.5 (1 = hardly ever to 4 = all of the time)], respectively. At baseline, both groups had a modest amount of HT knowledge, were learning self-management and self-advocacy, and perceived they were adequately supported. Baseline findings indicate that transitioning HT recipients lack essential knowledge about HT and have incomplete self-management and self-advocacy skills.

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.

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

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.

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.

Quantum catalysis : the modelling of catalytic transition states

NARCIS (Netherlands)

Hall, M.B.; Margl, P.; Naray-Szabo, G.; Schramm, Vern; Truhlar, D.G.; Santen, van R.A.; Warshel, A.; Whitten, J.L.; Truhlar, D.G.; Morokuma, K.

1999-01-01

A review with 101 refs.; we present an introduction to the computational modeling of transition states for catalytic reactions. We consider both homogeneous catalysis and heterogeneous catalysis, including organometallic catalysts, enzymes, zeolites and metal oxides, and metal surfaces. We summarize

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

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.

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...

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

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.

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.

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)

State-and-transition simulation models: a framework for forecasting landscape change

Science.gov (United States)

Daniel, Colin; Frid, Leonardo; Sleeter, Benjamin M.; Fortin, Marie-Josée

2016-01-01

SummaryA wide range of spatially explicit simulation models have been developed to forecast landscape dynamics, including models for projecting changes in both vegetation and land use. While these models have generally been developed as separate applications, each with a separate purpose and audience, they share many common features.We present a general framework, called a state-and-transition simulation model (STSM), which captures a number of these common features, accompanied by a software product, called ST-Sim, to build and run such models. The STSM method divides a landscape into a set of discrete spatial units and simulates the discrete state of each cell forward as a discrete-time-inhomogeneous stochastic process. The method differs from a spatially interacting Markov chain in several important ways, including the ability to add discrete counters such as age and time-since-transition as state variables, to specify one-step transition rates as either probabilities or target areas, and to represent multiple types of transitions between pairs of states.We demonstrate the STSM method using a model of land-use/land-cover (LULC) change for the state of Hawai'i, USA. Processes represented in this example include expansion/contraction of agricultural lands, urbanization, wildfire, shrub encroachment into grassland and harvest of tree plantations; the model also projects shifts in moisture zones due to climate change. Key model output includes projections of the future spatial and temporal distribution of LULC classes and moisture zones across the landscape over the next 50 years.State-and-transition simulation models can be applied to a wide range of landscapes, including questions of both land-use change and vegetation dynamics. Because the method is inherently stochastic, it is well suited for characterizing uncertainty in model projections. When combined with the ST-Sim software, STSMs offer a simple yet powerful means for developing a wide range of models of

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.

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.

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...

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.

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.

On the conversion of the high multipole transition between the 23/2- 3qp state and the 17/2+ rotational state in 177Lu

International Nuclear Information System (INIS)

Deepa, S.; Vijay Sai, K.; Ashish, T.; Venkataramaniah, K.; Kailas, S.

2012-01-01

Gerl et al through a compilation of Internal Conversion Coefficients (ICCs) of high multipole transitions and a comparison with various theoretical calculations and experimental data concluded that the theoretical values of BRICC are close to experimental values within 1-2% when compared to Hager and Seltzer and Rosel et al values. In a programme supported through a DAE BRNS project, we have been trying to experimentally determine the ICCs of high multipole transitions with high precision to garner support and evidence for the findings of Gerl et al. The present measurement is a part of such an effort. The prolate deformed nucleus 177 Lu lies in the rare earth region with Z = 71 and N = 106 between closed shells. Several three-quasiparticle states as well as states originating from the coupling of a quasi-particle to the γ-vibration of the core were established in 177 Lu at energies above 1200 keV by different groups

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.

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.)

Powder keg divisions in the critical state regime: transition from continuous to explosive percolation

Science.gov (United States)

Zhou, Zongzheng; Tordesillas, Antoinette

2017-06-01

The underlying microstructure and dynamics of a dense granular material as it evolves towards the "critical state", a limit state in which the system deforms with an essentially constant volume and stress ratio, remains widely debated in the micromechanics of granular media community. Strain localization, a common mechanism in the large strain regime, further complicates the characterization of this limit state. Here we revisit the evolution to this limit state within the framework of modern percolation theory. Attention is paid to motion transfer: in this context, percolation translates to the emergence of a large-scale connectivity in graphs that embody information on individual grain displacements. We construct each graph G(r) by connecting nodes, representing the grains, within a distance r in the displacement-state-space. As r increases, we observe a percolation transition on G(r). The size of the jump discontinuity increases in the lead up to failure, indicating that the nature of percolation transition changes from continuous to explosive. We attribute this to the emergence of collective motion, which manifests in increasingly isolated communities in G(r). At the limit state, where the jump discontinuity is highest and invariant across the different unjamming cycles (drops in stress ratio), G(r) encapsulates multiple kinematically distinct communities that are mediated by nodes corresponding to those grains in the shear band. This finding casts light on the dual and opposing roles of the shear band: a mechanism that creates powder keg divisions in the sample, while simultaneously acting as a mechanical link that transfers motion through such subdivisions moving in relative rigid-body motion.

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

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.

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

Specification, construction, and exact reduction of state transition system models of biochemical processes.

Science.gov (United States)

Bugenhagen, Scott M; Beard, Daniel A

2012-10-21

Biochemical reaction systems may be viewed as discrete event processes characterized by a number of states and state transitions. These systems may be modeled as state transition systems with transitions representing individual reaction events. Since they often involve a large number of interactions, it can be difficult to construct such a model for a system, and since the resulting state-level model can involve a huge number of states, model analysis can be difficult or impossible. Here, we describe methods for the high-level specification of a system using hypergraphs, for the automated generation of a state-level model from a high-level model, and for the exact reduction of a state-level model using information from the high-level model. Exact reduction is achieved through the automated application to the high-level model of the symmetry reduction technique and reduction by decomposition by independent subsystems, allowing potentially significant reductions without the need to generate a full model. The application of the method to biochemical reaction systems is illustrated by models describing a hypothetical ion-channel at several levels of complexity. The method allows for the reduction of the otherwise intractable example models to a manageable size.

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

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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.

The Heterogeneity of Job Creation and Destruction in Transition and Non-transition Developing Countries: The Effects of Firm Size, Age and Ownership

Directory of Open Access Journals (Sweden)

Haggai Kennedy Ochieng

2017-12-01

Full Text Available This paper investigates how firm age, size and ownership are related with job creation and destruction, and how these patterns differ across transition and non-transition economies. The analysis finds that age is inversely related with gross job creation and net job creation in the two samples. This finding is consistent with the theory of the learning effect. The relationship between age and job destruction is indifferent in non-transition economies. On the contrary, old firms in transition economies destroy more jobs than young ones. The paper further establishes an inverse relationship between size and gross job creation in the two groups. However, there is divergence between the two samples; small firms in non-transition economies also exhibit a higher gross job destruction rate. Consequently large firms have a higher net job creation rate. In transition economies, small and large firms exhibit similar rates of job destruction. But small firms retain a higher net job creation rate. A more intriguing finding is that state owned firms do not underperform domestic private ones. This means these countries may be using soft budget constraint which allows state owned firms to overstaff. Finally, crowding out of SMEs by foreign owned firms is not evident in transition economies.

Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance

Energy Technology Data Exchange (ETDEWEB)

Jain, Amber; Subotnik, Joseph E., E-mail: subotnik@sas.upenn.edu [Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104 (United States)

2015-10-07

We investigate a simple approach to compute a non-adiabatic thermal rate constant using the fewest switches surface hopping (FSSH) dynamics. We study the effects of both decoherence (using our augmented-FSSH (A-FSSH) algorithm) and forbidden hops over a large range of parameters, including high and low friction regimes, and weak and strong electronic coupling regimes. Furthermore, when possible, we benchmark our results against exact hierarchy equations of motion results, where we usually find a maximum error of roughly a factor of two (at reasonably large temperatures). In agreement with Hammes-Schiffer and Tully, we find that a merger of transition state theory and surface hopping can be both accurate and efficient when performed correctly. We further show that detailed balance is followed approximately by A-FSSH dynamics.

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

Transitional cell carcinoma of the bladder in childhood: radiological findings and differential diagnosis

International Nuclear Information System (INIS)

Casado, L.; Mansilla, F.; Mansilla, M.D.; Marin, A.

1998-01-01

We present a case of transitional cell carcinoma of the bladder in an 11-year-old boy. The rarity of these tumors during childhood is pointed out. The radiological and ultrasonographic findings are described and the differential diagnosis is discussed with respect to other bladder tumors occurring in childhood. (Author) 11 refs

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.

Powder keg divisions in the critical state regime: transition from continuous to explosive percolation

Directory of Open Access Journals (Sweden)

Zhou Zongzheng

2017-01-01

Full Text Available The underlying microstructure and dynamics of a dense granular material as it evolves towards the “critical state”, a limit state in which the system deforms with an essentially constant volume and stress ratio, remains widely debated in the micromechanics of granular media community. Strain localization, a common mechanism in the large strain regime, further complicates the characterization of this limit state. Here we revisit the evolution to this limit state within the framework of modern percolation theory. Attention is paid to motion transfer: in this context, percolation translates to the emergence of a large-scale connectivity in graphs that embody information on individual grain displacements. We construct each graph G(r by connecting nodes, representing the grains, within a distance r in the displacement-state-space. As r increases, we observe a percolation transition on G(r. The size of the jump discontinuity increases in the lead up to failure, indicating that the nature of percolation transition changes from continuous to explosive. We attribute this to the emergence of collective motion, which manifests in increasingly isolated communities in G(r. At the limit state, where the jump discontinuity is highest and invariant across the different unjamming cycles (drops in stress ratio, G(r encapsulates multiple kinematically distinct communities that are mediated by nodes corresponding to those grains in the shear band. This finding casts light on the dual and opposing roles of the shear band: a mechanism that creates powder keg divisions in the sample, while simultaneously acting as a mechanical link that transfers motion through such subdivisions moving in relative rigid-body motion.

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…

Transitions to mild cognitive impairments, dementia, and death: findings from the Nun Study.

Science.gov (United States)

Tyas, Suzanne L; Salazar, Juan Carlos; Snowdon, David A; Desrosiers, Mark F; Riley, Kathryn P; Mendiondo, Marta S; Kryscio, Richard J

2007-06-01

The potential of early interventions for dementia has increased interest in cognitive impairments less severe than dementia. However, predictors of the trajectory from intact cognition to dementia have not yet been clearly identified. The purpose of this study was to determine whether known risk factors for dementia increased the risk of mild cognitive impairments or progression from mild cognitive impairments to dementia. A polytomous logistic regression model was used, with parameters governing transitions within transient states (intact cognition, mild cognitive impairments, global impairment) estimated separately from parameters governing the transition from transient to absorbing state (dementia or death). Analyses were based on seven annual examinations (1991-2002) of 470 Nun Study participants aged > or = 75 years at baseline and living in the United States. Odds of developing dementia increased with age primarily for those with low educational levels. In these women, presence of an apolipoprotein E gene *E4 allele increased the odds more than fourfold by age 95 years. Age, education, and the apolipoprotein E gene were all significantly associated with mild cognitive impairments. Only age, however, was associated with progression to dementia. Thus, risk factors for dementia may operate primarily by predisposing individuals to develop mild cognitive impairments; subsequent progression to dementia then depends on only time and competing mortality.

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.

Transitions to Care in the Community for Prison Releasees with HIV: a Qualitative Study of Facilitators and Challenges in Two States.

Science.gov (United States)

Hammett, Theodore M; Donahue, Sara; LeRoy, Lisa; Montague, Brian T; Rosen, David L; Solomon, Liza; Costa, Michael; Wohl, David; Rich, Josiah D

2015-08-01

One in seven people living with HIV in the USA passes through a prison or jail each year, and almost all will return to the community. Discharge planning and transitional programs are critical but challenging elements in ensuring continuity of care, maintaining treatment outcomes achieved in prison, and preventing further viral transmission. This paper describes facilitators and challenges of in-prison care, transitional interventions, and access to and continuity of care in the community in Rhode Island and North Carolina based on qualitative data gathered as part of the mixed-methods Link Into Care Study of prisoners and releasees with HIV. We conducted 65 interviews with correctional and community-based providers and administrators and analyzed the transcripts using NVivo 10 to identify major themes. Facilitators of effective transitional systems in both states included the following: health providers affiliated with academic institutions or other entities independent of the corrections department; organizational philosophy emphasizing a patient-centered, personal, and holistic approach; strong leadership with effective "champions"; a team approach with coordination, collaboration and integration throughout the system, mutual respect and learning between corrections and health providers, staff dedicated to transitional services, and effective communication and information sharing among providers; comprehensive transitional activities and services including HIV, mental health and substance use services in prisons, timely and comprehensive discharge planning with specific linkages/appointments, supplies of medications on release, access to benefits and entitlements, case management and proactive follow-up on missed appointments; and releasees' commitment to transitional plans. These elements were generally present in both study states but their absence, which also sometimes occurred, represent ongoing challenges to success. The qualitative findings on the

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.

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.

Divergence of relative difference in Gaussian distribution function and stochastic resonance in a bistable system with frictionless state transition

Science.gov (United States)

Kasai, Seiya; Ichiki, Akihisa; Tadokoro, Yukihiro

2018-03-01

A bistable system efficiently detects a weak signal by adding noise, which is referred to as stochastic resonance. A previous theory deals with friction in state transition; however, this hypothesis is inadequate when friction force is negligible such as in nano- and molecular-scale systems. We show that, when the transition occurs without friction, the sensitivity of the bistable system to a Gaussian-noise-imposed weak signal becomes significantly high. The sensitivity is determined by the relative difference in noise distribution function. We find that the relative difference in Gaussian distribution function diverges in its tail edge, resulting in a high sensitivity in the present system.

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.

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.

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.)

Chaotic state to self-organized critical state transition of serrated flow dynamics during brittle-to-ductile transition in metallic glass

Energy Technology Data Exchange (ETDEWEB)

Wang, C.; Wang, W. H.; Bai, H. Y., E-mail: hybai@aphy.iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Sun, B. A. [Centre for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Kowloon Tong, Kowloon (Hong Kong)

2016-02-07

We study serrated flow dynamics during brittle-to-ductile transition induced by tuning the sample aspect ratio in a Zr-based metallic glass. The statistical analysis reveals that the serrated flow dynamics transforms from a chaotic state characterized by Gaussian-distribution serrations corresponding to stick-slip motion of randomly generated and uncorrelated single shear band and brittle behavior, into a self-organized critical state featured by intermittent scale-free distribution of shear avalanches corresponding to a collective motion of multiple shear bands and ductile behavior. The correlation found between serrated flow dynamics and plastic deformation might shed light on the plastic deformation dynamic and mechanism in metallic glasses.

The political-economic transition and the building of the welfare state in Spain (1975-1986

Directory of Open Access Journals (Sweden)

Rafael Muñoz de Bustillo Llorente

2008-12-01

Full Text Available This article analyses the economic policy in Spain during the govern- ments of the Spanish political transition from 1975 to 1986. It considers the different areas of economic policy with special emphasis on the development of welfare state issues in this period. Taking into account the difficult economic and political situation in 1975, there were some important advances in social policy and progressive taxation during the period. The transition to democracy in Spain changed the role and size of the public sector above all from 1975 to 1986. The social demands over the political system were possible improvements in the progressive and redistributive policies in education, health, and social programs. Spain’s transition to democracy and the first period of welfare state show a mutually reinforcing and its consequences were the modernization of the Spanish economy. However, from 1986 the economic develop- ment and the progress of welfare state have had a different growth.Key words: Welfare state, Economic transition, Spain.

Classical to quantum mechanical tunneling mechanism crossover in thermal transitions between magnetic states.

Science.gov (United States)

Vlasov, Sergei; Bessarab, Pavel F; Uzdin, Valery M; Jónsson, Hannes

2016-12-22

Transitions between states of a magnetic system can occur by jumps over an energy barrier or by quantum mechanical tunneling through the energy barrier. The rate of such transitions is an important consideration when the stability of magnetic states is assessed for example for nanoscale candidates for data storage devices. The shift in transition mechanism from jumps to tunneling as the temperature is lowered is analyzed and a general expression derived for the crossover temperature. The jump rate is evaluated using a harmonic approximation to transition state theory. First, the minimum energy path for the transition is found with the geodesic nudged elastic band method. The activation energy for the jumps is obtained from the maximum along the path, a saddle point on the energy surface, and the eigenvalues of the Hessian matrix at that point as well as at the initial state minimum used to estimate the entropic pre-exponential factor. The crossover temperature for quantum mechanical tunneling is evaluated from the second derivatives of the energy with respect to orientation of the spin vector at the saddle point. The resulting expression is applied to test problems where analytical results have previously been derived, namely uniaxial and biaxial spin systems with two-fold anisotropy. The effect of adding four-fold anisotropy on the crossover temperature is demonstrated. Calculations of the jump rate and crossover temperature for tunneling are also made for a molecular magnet containing an Mn 4 group. The results are in excellent agreement with previously reported experimental measurements on this system.

From War to Politics : Non-State Armed Groups in Transition, 2009 ...

International Development Research Centre (IDRC) Digital Library (Canada)

An earlier project (103613) resulted in the creation of a research network on the experience of non-state armed groups (NSAGs) who have made the transition from armed resistance during protracted violent conflicts to political engagement in peace negotiations and post-war state building. This project will continue the ...

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.

Boundary layer turbulence in transitional and developed states

Science.gov (United States)

Park, George Ilhwan; Wallace, James M.; Wu, Xiaohua; Moin, Parviz

2012-03-01

Using the recent direct numerical simulations by Wu and Moin ["Transitional and turbulent boundary layer with heat transfer," Phys. Fluids 22, 85 (2010)] of a flat-plate boundary layer with a passively heated wall, statistical properties of the turbulence in transition at Reθ ≈ 300, from individual turbulent spots, and at Reθ ≈ 500, where the spots merge (distributions of the mean velocity, Reynolds stresses, kinetic energy production, and dissipation rates, enstrophy and its components) have been compared to these statistical properties for the developed boundary layer turbulence at Reθ = 1840. When the distributions in the transitional regions are conditionally averaged so as to exclude locations and times when the flow is not turbulent, they closely resemble the distributions in the developed turbulent state at the higher Reynolds number, especially in the buffer layer. Skin friction coefficients, determined in this conditional manner at the two Reynolds numbers in the transitional flow are, of course, much larger than when their values are obtained by including both turbulent and non-turbulent information there, and the conditional averaged values are consistent with the 1/7th power law approximation. An octant analysis based on the combinations of signs of the velocity and temperature fluctuations, u, v, and θ shows that the momentum and heat fluxes are predominantly of the mean gradient type in both the transitional and developed regions. The fluxes appear to be closely associated with vortices that transport momentum and heat toward and away from the wall in both regions of the flow. The results suggest that there may be little fundamental difference between the nonlinear processes involved in the formation of turbulent spots that appear in transition and those that sustain the turbulence when it is developed. They also support the view that the transport processes and the vortical structures that drive them in developed and transitional boundary

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

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

Capturing the state transitions of seizure-like events using Hidden Markov models.

Science.gov (United States)

Guirgis, Mirna; Serletis, Demitre; Carlen, Peter L; Bardakjian, Berj L

2011-01-01

The purpose of this study was to investigate the number of states present in the progression of a seizure-like event (SLE). Of particular interest is to determine if there are more than two clearly defined states, as this would suggest that there is a distinct state preceding an SLE. Whole-intact hippocampus from C57/BL mice was used to model epileptiform activity induced by the perfusion of a low Mg(2+)/high K(+) solution while extracellular field potentials were recorded from CA3 pyramidal neurons. Hidden Markov models (HMM) were used to model the state transitions of the recorded SLEs by incorporating various features of the Hilbert transform into the training algorithm; specifically, 2- and 3-state HMMs were explored. Although the 2-state model was able to distinguish between SLE and nonSLE behavior, it provided no improvements compared to visual inspection alone. However, the 3-state model was able to capture two distinct nonSLE states that visual inspection failed to discriminate. Moreover, by developing an HMM based system a priori knowledge of the state transitions was not required making this an ideal platform for seizure prediction algorithms.

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.

MRCI study on the spectroscopic parameters, transition dipole moments and transition probabilities of 16 low-lying states of the BeB radical

Science.gov (United States)

Zhou, Dan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

2018-03-01

In this work, we calculate the potential energy curves of 16 Λ-S and 36 Ω states of beryllium boride (BeB) radical using the complete active space self-consistent field method, followed by the valence internally contracted multireference configuration interaction approach with Davidson correction. The 16 Λ-S states are the X2Π, A2Σ+, B2Π, C2Δ, D2Ʃ-, E2Σ+, G2Π, I2Σ+, a4Σ-, b4Π, c4Σ-, d4Δ, e4Σ+, g4Π, h4Π, and 24Σ+, which are obtained from the first three dissociation channels of the BeB radical. The Ω states are obtained from the Λ-S states. Of the Λ-S states, the G2Π, I2Σ+, and h4Π states exhibit double well curves. The G2Π, b4Π, and g4Π states are inverted with the spin-orbit coupling effect included. The d4Δ, e4Σ+, and g4Π states as well as the second well of the h4Π state are very weakly bound. Avoided crossings exist between the G2Π and H2Π states, the A2Σ+ and E2Σ+ states, the c4Σ- and f4Σ- states, the g4Π and h4Π states, the I2Σ+ and 42Σ+ states, as well as the 24Σ+ and 34Σ+ states. To improve the quality of the potential energy curves, core-valence correlation and scalar relativistic corrections, as well as the extrapolation of the potential energies to the complete basis set limit, are included. The transition dipole moments are computed. Spectroscopic parameters and vibrational levels are determined along with Franck-Condon factors, Einstein coefficients, and radiative lifetimes of many electronic transitions. The transition probabilities are evaluated. The spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is discussed. The spectroscopic parameters, vibrational levels, and transition probabilities reported in this paper can be considered very reliable and can be employed to predict these states in an appropriate spectroscopy experiment.

Shape Transitional Nuclei: What can we learn from the Yrare States? or Hello the Double Vacuum; Goodbye β-vibrations!

International Nuclear Information System (INIS)

Sharpey-Schafer, J. F.; Mullins, S. M.; Bark, R. A.; Gueorguieva, E.; Kau, J.; Komati, F.; Lawrie, J. J.; Murray, S. H. T.; Ncapayi, N. J.; Maine, P.; Minkova, A.; Vymers, P.

2008-01-01

The results of our measurements on the yrare states up to spin 20(ℎ/2π) in 152,154,155 Gd, using (α,xn) reactions and the AFRODITE γ-ray spectrometer, are presented. We find that in 155 Gd the decay scheme is divided into levels feeding the [505]11/2 - band, that is extruded by the prolate deformation from the h 11/2 orbital, and levels feeding the i 13/2 [651]3/2 + intruder orbital and the h 9/2 [521]3/2 - orbital. The decay scheme of 154 Gd is very complex. We find no evidence for the existence of β-vibrational levels below 1.5 MeV. We discover that the level scheme can be best understood as a set of collective states built on the ground state configuration |0 1 + > plus a 'congruent' set of collective states based on the |0 2 + > state at 681 keV. The data suggest that this second vacuum has reduced pairing. Our data do not support IBA and phonon interpretations of these transitional nuclei

Shape Transitional Nuclei: What can we learn from the Yrare States? or Hello the Double Vacuum; Goodbye β-vibrations!

Science.gov (United States)

Sharpey-Schafer, J. F.; Mullins, S. M.; Bark, R. A.; Gueorguieva, E.; Kau, J.; Komati, F.; Lawrie, J. J.; Maine, P.; Minkova, A.; Murray, S. H. T.; Ncapayi, N. J.; Vymers, P.

2008-05-01

The results of our measurements on the yrare states up to spin 20ℏ in 152,154,155Gd, using (α,xn) reactions and the AFRODITE γ-ray spectrometer, are presented. We find that in 155Gd the decay scheme is divided into levels feeding the [505]11/2- band, that is extruded by the prolate deformation from the h11/2 orbital, and levels feeding the i13/2[651]3/2+ intruder orbital and the h9/2[521]3/2- orbital. The decay scheme of 154Gd is very complex. We find no evidence for the existence of β-vibrational levels below 1.5 MeV. We discover that the level scheme can be best understood as a set of collective states built on the ground state configuration |01+> plus a ``congruent'' set of collective states based on the |02+> state at 681 keV. The data suggest that this second vacuum has reduced pairing. Our data do not support IBA and phonon interpretations of these transitional nuclei.

Cygnus X-3 transition from the ultrasoft to the hard state

DEFF Research Database (Denmark)

Beckmann, V.; Soldi, S.; Belanger, G.

2007-01-01

Aims. The nature of Cygnus X-3 is still not understood well. This binary system might host a black hole or a neutron star. Recent observations by INTEGRAL have shown that Cygnus X- 3 was again in an extremely ultrasoft state. Here we present our analysis of the transition from the ultrasoft state...

Aql X-1 transition towards the soft (banana) state accompanied by radio/NIR detection

Science.gov (United States)

Sivakoff, G. R.; Miller-Jones, J.; Fox, O.; Linares, M.; Altamirano, D.; Russell, D.

2009-11-01

The currently active neutron star transient and atoll source Aql X-1 (Linares et al., ATEL #2288) has begun the transition from the hard (extreme island) state to the soft (banana) state (Rodriguez et al. ATEL #2299). This transition likely began around 2009 Nov 15 (MJD = 55150). The latest RXTE PCA observation (2009 Nov 17, MJD=55152.17+/-0.02, 2-60 keV fractional rms variability amplitude of ~11% for 0.1-10 Hz) indicates that the source is in the intermediate (island) state.

Estimation and asymptotic theory for transition probabilities in Markov Renewal Multi–state models

NARCIS (Netherlands)

Spitoni, C.; Verduijn, M.; Putter, H.

2012-01-01

In this paper we discuss estimation of transition probabilities for semi–Markov multi–state models. Non–parametric and semi–parametric estimators of the transition probabilities for a large class of models (forward going models) are proposed. Large sample theory is derived using the functional

Transition state theory approach to polymer escape from a one dimensional potential well.

Science.gov (United States)

Mökkönen, Harri; Ikonen, Timo; Ala-Nissila, Tapio; Jónsson, Hannes

2015-06-14

The rate of escape of an ideal bead-spring polymer in a symmetric double-well potential is calculated using transition state theory (TST) and the results compared with direct dynamical simulations. The minimum energy path of the transitions becomes flat and the dynamics diffusive for long polymers making the Kramers-Langer estimate poor. However, TST with dynamical corrections based on short time trajectories started at the transition state gives rate constant estimates that agree within a factor of two with the molecular dynamics simulations over a wide range of bead coupling constants and polymer lengths. The computational effort required by the TST approach does not depend on the escape rate and is much smaller than that required by molecular dynamics simulations.

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.

Phase Transition in the Density of States of Quantum Spin Glasses

Energy Technology Data Exchange (ETDEWEB)

Erdős, László, E-mail: lerdos@ist.ac.at [IST Austria (Austria); Schröder, Dominik, E-mail: schroeder.dominik@gmail.com [Ludwig-Maximilians-Universität München (Germany)

2014-12-15

We prove that the empirical density of states of quantum spin glasses on arbitrary graphs converges to a normal distribution as long as the maximal degree is negligible compared with the total number of edges. This extends the recent results of Keating et al. (2014) that were proved for graphs with bounded chromatic number and with symmetric coupling distribution. Furthermore, we generalise the result to arbitrary hypergraphs. We test the optimality of our condition on the maximal degree for p-uniform hypergraphs that correspond to p-spin glass Hamiltonians acting on n distinguishable spin- 1/2 particles. At the critical threshold p = n{sup 1/2} we find a sharp classical-quantum phase transition between the normal distribution and the Wigner semicircle law. The former is characteristic to classical systems with commuting variables, while the latter is a signature of noncommutative random matrix theory.

Evidence from n=2 fine structure transitions for the production of fast excited state positronium

International Nuclear Information System (INIS)

Ley, R.; Niebling, K.D.; Schwarz, R.; Werth, G.

1990-01-01

Fine structure transitions in the first excited state of positronium (Ps) have been measured using 'Backscatter Ps' production on a Mo surface by observation of a change in the emitted Lyman-α intensity under resonant microwave irradiation. Production, fine structure transitions and Lyman-α decay of the Ps atoms took place inside a waveguide designed to transmit the microwave frequencies of 8.6, 13.0 and 18.5 GHz for the transitions from the 2 3 S 1 state to the 2 3 P J , J=2, 1, 0, states, respectively. In the presence of a magnetic field, all transitions observed show a shift to higher frequencies, compared with earlier calculations and measurements in zero magnetic field. The deviations exceed the expected Zeeman shift significantly but may be explained by assuming a motional Stark effect for Ps with kinetic energies of several eV. (author)

Lifetime measurements and dipole transition rates for superdeformed states in {sup 190}Hg.

Energy Technology Data Exchange (ETDEWEB)

Amro, H.

1999-03-24

The Doppler-shift attenuation method was used to measure life-times of superdeformed (SD) states for both the yrast and the first excited superdeformed band of {sup 190}Hg. Intrinsic quadruple moments Q{sub 0} were extracted. For the first time, the dipole transition rates have been extracted for the inter-band transitions which connect the excited SD band to the yrast states in the second minimum. The results support the interpretation of the excited SD band as a rotational band built on an octupole vibration.

Eigenstate Phase Transitions

Science.gov (United States)

Zhao, Bo

Phase transitions are one of the most exciting physical phenomena ever discovered. The understanding of phase transitions has long been of interest. Recently eigenstate phase transitions have been discovered and studied; they are drastically different from traditional thermal phase transitions. In eigenstate phase transitions, a sharp change is exhibited in properties of the many-body eigenstates of the Hamiltonian of a quantum system, but not the thermal equilibrium properties of the same system. In this thesis, we study two different types of eigenstate phase transitions. The first is the eigenstate phase transition within the ferromagnetic phase of an infinite-range spin model. By studying the interplay of the eigenstate thermalization hypothesis and Ising symmetry breaking, we find two eigenstate phase transitions within the ferromagnetic phase: In the lowest-temperature phase the magnetization can macroscopically oscillate by quantum tunneling between up and down. The relaxation of the magnetization is always overdamped in the remainder of the ferromagnetic phase, which is further divided into phases where the system thermally activates itself over the barrier between the up and down states, and where it quantum tunnels. The second is the many-body localization phase transition. The eigenstates on one side of the transition obey the eigenstate thermalization hypothesis; the eigenstates on the other side are many-body localized, and thus thermal equilibrium need not be achieved for an initial state even after evolving for an arbitrary long time. We study this many-body localization phase transition in the strong disorder renormalization group framework. After setting up a set of coarse-graining rules for a general one dimensional chain, we get a simple "toy model'' and obtain an almost purely analytical solution to the infinite-randomness critical fixed point renormalization group equation. We also get an estimate of the correlation length critical exponent nu

Transitioning a Large Scale HIV/AIDS Prevention Program to Local Stakeholders: Findings from the Avahan Transition Evaluation.

Directory of Open Access Journals (Sweden)

Sara Bennett

Full Text Available Between 2009-2013 the Bill and Melinda Gates Foundation transitioned its HIV/AIDS prevention initiative in India from being a stand-alone program outside of government, to being fully government funded and implemented. We present an independent prospective evaluation of the transition.The evaluation drew upon (1 a structured survey of transition readiness in a sample of 80 targeted HIV prevention programs prior to transition; (2 a structured survey assessing institutionalization of program features in a sample of 70 targeted intervention (TI programs, one year post-transition; and (3 case studies of 15 TI programs.Transition was conducted in 3 rounds. While the 2009 transition round was problematic, subsequent rounds were implemented more smoothly. In the 2011 and 2012 transition rounds, Avahan programs were well prepared for transition with the large majority of TI program staff trained for transition, high alignment with government clinical, financial and managerial norms, and strong government commitment to the program. One year post transition there were significant program changes, but these were largely perceived positively. Notable negative changes were: limited flexibility in program management, delays in funding, commodity stock outs, and community member perceptions of a narrowing in program focus. Service coverage outcomes were sustained at least six months post-transition.The study suggests that significant investments in transition preparation contributed to a smooth transition and sustained service coverage. Notwithstanding, there were substantive program changes post-transition. Five key lessons for transition design and implementation are identified.

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

NARCIS (Netherlands)

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

2009-01-01

We report the observation of dipole-forbidden, but quadrupole-allowed, one-photon transitions to high-Rydberg states in Rb. Using pulsed uv excitation of ultracold atoms in a magneto-optical trap, we excite 5s¿nd transitions over a range of principal quantum numbers n=27–59. Compared to

Unambiguously identifying spin states of transition-metal ions in the Earth (Invited)

Science.gov (United States)

Hsu, H.

2010-12-01

The spin state of a transition-metal ion in crystalline solids, defined by the number of unpaired electrons in the ion’s incomplete 3d shell, may vary with many factors, such as temperature, pressure, strain, and the local atomic configuration, to name a few. Such a phenomenon, known as spin-state crossover, plays a crucial role in spintronic materials. Recently, the pressure-induced spin-state crossover in iron-bearing minerals has been recognized to affect the minerals’ structural and elastic properties. However, the detailed mechanism of such crossover in iron-bearing magnesium silicate perovskite, the most abundant mineral in the Earth, remains unclear. A significant part of this confusion arises from the difficulty in reliably extracting the spin state from experiments. For the same reason, the thermally-induced spin-state crossover in lanthanum cobaltite (LaCoO3) has been controversial for more than four decades. In this talk, I will discuss how first-principle calculations can help clarifying these long-standing controversies. In addition to the total energy, equation of state, and elastic properties of each spin state, first-principle calculations also predict the electric field gradient (EFG) at the nucleus of each transition-metal ion. Our calculations showed that the nuclear EFG, a quantity that can be measured via Mössbauer or nuclear magnetic resonance (NMR) spectroscopy, depends primarily on the spin state, irrespective of the concentration or configuration of transition-metal ions. Such robustness makes EFG a unique fingerprint to identify the spin state. The combination of first-principle calculations and Mössbauer/NMR spectroscopy can therefore be a reliable and efficient approach in tackling spin-state crossover problems in the Earth. This work was primarily supported by the MRSEC Program of NSF under Awards Number DMR-0212302 and DMR-0819885, and partially supported by NSF under ATM-0428774 (V-Lab), EAR-1019853, and EAR-0810272. The

Dissipation-driven quantum phase transitions in collective spin systems

International Nuclear Information System (INIS)

Morrison, S; Parkins, A S

2008-01-01

We consider two different collective spin systems subjected to strong dissipation-on the same scale as interaction strengths and external fields-and show that either continuous or discontinuous dissipative quantum phase transitions can occur as the dissipation strength is varied. First, we consider a well-known model of cooperative resonance fluorescence that can exhibit a second-order quantum phase transition, and analyse the entanglement properties near the critical point. Next, we examine a dissipative version of the Lipkin-Meshkov-Glick interacting collective spin model, where we find that either first- or second-order quantum phase transitions can occur, depending only on the ratio of the interaction and external field parameters. We give detailed results and interpretation for the steady-state entanglement in the vicinity of the critical point, where it reaches a maximum. For the first-order transition we find that the semiclassical steady states exhibit a region of bistability. (fast track communication)

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.

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

Structure of transition nuclei states in fermion dynamic-symmetry model

International Nuclear Information System (INIS)

Baktybaev, K.; Kojlyk, N.O.; Romankulov, K.

2007-01-01

In the paper collective structures of osmium heavy isotopes nucleons are studied. Results of diagonalization of SO(6) symmetric Hamiltonian of fermion-dynamical symmetry-model are comparing with results of other phenomenological methods such as Bohr-Mottelson model and interacting bosons model. For heavy osmium isotopes not only collective excitations spectral bands but also for probability of E2-electromagnet transition are which are compared with existing experimental data. It is revealed, that complexity of state structure for examined nuclei is related with competition and interweaving of rotation and vibration states and also more complicated states of γ instable nature

Transitions among Health States Using 12 Measures of Successful Aging in Men and Women: Results from the Cardiovascular Health Study

Directory of Open Access Journals (Sweden)

Stephen Thielke

2012-01-01

Full Text Available Introduction. Successful aging has many dimensions, which may manifest differently in men and women at different ages. Methods. We characterized one-year transitions among health states in 12 measures of successful aging among adults in the Cardiovascular Health Study. The measures included self-rated health, ADLs, IADLs, depression, cognition, timed walk, number of days spent in bed, number of blocks walked, extremity strength, recent hospitalizations, feelings about life as a whole, and life satisfaction. We dichotomized variables into “healthy” or “sick,” states, and estimated the prevalence of the healthy state and the probability of transitioning from one state to another, or dying, during yearly intervals. We compared men and women and three age groups (65–74, 75–84, and 85–94. Findings. Measures of successful aging showed similar results by gender. Most participants remained healthy even into advanced ages, although health declined for all measures. Recuperation, although less common with age, still occurred frequently. Men had a higher death rate than women regardless of health status, and were also more likely to remain in the healthy state. Discussion. The results suggest a qualitatively different experience of successful aging between men and women. Men did not simply “age faster” than women.

Integrating continuous stocks and flows into state-and-transition simulation models of landscape change

Science.gov (United States)

Daniel, Colin J.; Sleeter, Benjamin M.; Frid, Leonardo; Fortin, Marie-Josée

2018-01-01

State-and-transition simulation models (STSMs) provide a general framework for forecasting landscape dynamics, including projections of both vegetation and land-use/land-cover (LULC) change. The STSM method divides a landscape into spatially-referenced cells and then simulates the state of each cell forward in time, as a discrete-time stochastic process using a Monte Carlo approach, in response to any number of possible transitions. A current limitation of the STSM method, however, is that all of the state variables must be discrete.Here we present a new approach for extending a STSM, in order to account for continuous state variables, called a state-and-transition simulation model with stocks and flows (STSM-SF). The STSM-SF method allows for any number of continuous stocks to be defined for every spatial cell in the STSM, along with a suite of continuous flows specifying the rates at which stock levels change over time. The change in the level of each stock is then simulated forward in time, for each spatial cell, as a discrete-time stochastic process. The method differs from the traditional systems dynamics approach to stock-flow modelling in that the stocks and flows can be spatially-explicit, and the flows can be expressed as a function of the STSM states and transitions.We demonstrate the STSM-SF method by integrating a spatially-explicit carbon (C) budget model with a STSM of LULC change for the state of Hawai'i, USA. In this example, continuous stocks are pools of terrestrial C, while the flows are the possible fluxes of C between these pools. Importantly, several of these C fluxes are triggered by corresponding LULC transitions in the STSM. Model outputs include changes in the spatial and temporal distribution of C pools and fluxes across the landscape in response to projected future changes in LULC over the next 50 years.The new STSM-SF method allows both discrete and continuous state variables to be integrated into a STSM, including interactions between

Smoothed transitions in higher spin AdS gravity

International Nuclear Information System (INIS)

Banerjee, Shamik; Shenker, Stephen; Castro, Alejandra; Hellerman, Simeon; Hijano, Eliot; Lepage-Jutier, Arnaud; Maloney, Alexander

2013-01-01

We consider CFTs conjectured to be dual to higher spin theories of gravity in AdS 3 and AdS 4 . Two-dimensional CFTs with W N symmetry are considered in the λ = 0 (k → ∞) limit where they are conjectured to be described by continuous orbifolds. The torus partition function is computed, using reasonable assumptions, and equals that of a free-field theory. We find no phase transition at temperatures of order 1; the usual Hawking–Page phase transition is removed by the highly degenerate light states associated with conical defect states in the bulk. Three-dimensional Chern–Simons matter CFTs with vector-like matter are considered on T 3 , where the dynamics is described by an effective theory for the eigenvalues of the holonomies. Likewise, we find no evidence for a Hawking–Page phase transition at a large level k. (paper)

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

International Nuclear Information System (INIS)

Xian, Fenglin; Ye, Jiandong; Gu, Shulin; Tan, Hark Hoe; Jagadish, Chennupati

2016-01-01

In this work, anion alloying is engineered in ZnON nanocrystalline films, and the resultant evolution of the structural transition, subgap states, and carrier transport is investigated. A broad distribution of sub-gap states above the valence band maximum is introduced by nitrogen due to the hybridization of N 2p and O 2p orbitals. The phase transition from partially amorphous states to full crystallinity occurs above a characteristic growth temperature of 100 °C, and the localized states are suppressed greatly due to the reduction of nitrogen composition. The electronic properties are dominated by grain boundary scattering and electron transport across boundary barriers through thermal activation at band edge states at high temperatures. The conductivity below 130 K exhibits a weak temperature dependence, which is a signature of variable-range hopping conduction between localized states introduced by nitrogen incorporation.

CT findings of cerebral paragonimiasis in the chronic state

International Nuclear Information System (INIS)

Udaka, F.; Okuda, B.; Tsuji, T.; Kameyama, M.; Okada, M.

1988-01-01

The CT findings in 5 patients with cerebral paragonimiasis in the chronic state are presented. The findings were: 1) multiple, densely calcified areas with a variety of round or nodular shapes in the brain, 2) a large low density area surrounding or connecting with the calcified areas, and 3) cortical atrophy and ventricular dilatation. The relation between the CT findings and the previously reported plain skull X-ray findings or neuropathological findings are discussed. (orig.)

Study of the strength distribution of primary γ-transitions in the decay from superdeformed states in 194Hg

International Nuclear Information System (INIS)

Lopez-Martens, A.P.; Doessing, T.; Khoo, T.L.; Korichi, A.; Hannachi, F.; Calderin, I.J.; Lauritsen, T.; Ahmad, I.; Carpenter, M.P.; Fischer, S.M.; Hackman, G.; Janssens, R.V.F.; Nisius, D.; Reiter, P.; Amro, H.; Moore, E.F.

1999-01-01

The strength distribution of the primary γ rays in the decay from superdeformed (SD) states is investigated by applying the maximum likelihood method. For the 194 Hg nucleus, 41 primary transitions are identified above 2600 keV. It is concluded that they represent the strongest 10% of the transitions selected stochastically from a Porter-Thomas distribution. This would support the scenario of a statistical decay of SD states via coupling to a compound state at normal deformation. However, the occurrence of several very strong 'one-step linking' transitions is found to have a very small probability. Based on the absence of strong primary transitions from SD states in adjacent nuclei, the situation in 194 Hg is viewed as a very lucky incidence

Optical nonlinearities of excitonic states in atomically thin 2D transition metal dichalcogenides

Energy Technology Data Exchange (ETDEWEB)

Soh, Daniel Beom Soo [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Proliferation Signatures Discovery and Exploitation Department

2017-08-01

We calculated the optical nonlinearities of the atomically thin monolayer transition metal dichalcogenide material (particularly MoS₂), particularly for those linear and nonlinear transition processes that utilize the bound exciton states. We adopted the bound and the unbound exciton states as the basis for the Hilbert space, and derived all the dynamical density matrices that provides the induced current density, from which the nonlinear susceptibilities can be drawn order-by-order via perturbative calculations. We provide the nonlinear susceptibilities for the linear, the second-harmonic, the third-harmonic, and the kerr-type two-photon processes.

Relating gastric scintigraphy and symptoms to motility capsule transit and pressure findings in suspected gastroparesis.

Science.gov (United States)

Hasler, W L; May, K P; Wilson, L A; Van Natta, M; Parkman, H P; Pasricha, P J; Koch, K L; Abell, T L; McCallum, R W; Nguyen, L A; Snape, W J; Sarosiek, I; Clarke, J O; Farrugia, G; Calles-Escandon, J; Grover, M; Tonascia, J; Lee, L A; Miriel, L; Hamilton, F A

2018-02-01

Wireless motility capsule (WMC) findings are incompletely defined in suspected gastroparesis. We aimed to characterize regional WMC transit and contractility in relation to scintigraphy, etiology, and symptoms in patients undergoing gastric emptying testing. A total of 209 patients with gastroparesis symptoms at NIDDK Gastroparesis Consortium centers underwent gastric scintigraphy and WMCs on separate days to measure regional transit and contractility. Validated questionnaires quantified symptoms. Solid scintigraphy and liquid scintigraphy were delayed in 68.8% and 34.8% of patients; WMC gastric emptying times (GET) were delayed in 40.3% and showed 52.8% agreement with scintigraphy; 15.5% and 33.5% had delayed small bowel (SBTT) and colon transit (CTT) times. Transit was delayed in ≥2 regions in 23.3%. Rapid transit was rarely observed. Diabetics had slower GET but more rapid SBTT versus idiopathics (P ≤ .02). GET delays related to greater scintigraphic retention, slower SBTT, and fewer gastric contractions (P ≤ .04). Overall gastroparesis symptoms and nausea/vomiting, early satiety/fullness, bloating/distention, and upper abdominal pain subscores showed no relation to WMC transit. Upper and lower abdominal pain scores (P ≤ .03) were greater with increased colon contractions. Constipation correlated with slower CTT and higher colon contractions (P = .03). Diarrhea scores were higher with delayed SBTT and CTT (P ≤ .04). Wireless motility capsules define gastric emptying delays similar but not identical to scintigraphy that are more severe in diabetics and relate to reduced gastric contractility. Extragastric transit delays occur in >40% with suspected gastroparesis. Gastroparesis symptoms show little association with WMC profiles, although lower symptoms relate to small bowel or colon abnormalities. © 2017 John Wiley & Sons Ltd.

Variational transition-state theory. Progress report, February 1981-January 1983

International Nuclear Information System (INIS)

Truhlar, D.G.

1983-01-01

During the past two years we have extended the variational transition-state theory in several ways. Especially notable is that we have developed several new methods for calculating tunneling probabilities, including two general techniques applicable to systems with small and large reaction-path curvature. We have tested these methods successfully against accurate quantal calculations, and we have applied them to real systems in three dimensions. We have also developed general algorithms for variational transition state theory calculations on polyatomic systems and we have applied these to the combustion reaction OH + H 2 → H 2 O + H. We have developed and successfully applied a statistical-diabatic theory for state-selected rates. We made a totally ab initio prediction of an absolute chemical reaction rate, for the reaction Mu + H 2 → MuH + H, using an accurate potential energy surface and ethods that we had demonstrated to be reliable by tests against accurate quantal collinear results. This prediction has now been confirmed by unpublished experiments; I believe that this is the first reliable ab initio prediction of a chemical rection rate prior to its measurement. In the rest of this technical progress report we give further details of these and other studies we have carried out in the last two years under this contract

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.

Quantum trajectory phase transitions in the micromaser.

Science.gov (United States)

Garrahan, Juan P; Armour, Andrew D; Lesanovsky, Igor

2011-08-01

We study the dynamics of the single-atom maser, or micromaser, by means of the recently introduced method of thermodynamics of quantum jump trajectories. We find that the dynamics of the micromaser displays multiple space-time phase transitions, i.e., phase transitions in ensembles of quantum jump trajectories. This rich dynamical phase structure becomes apparent when trajectories are classified by dynamical observables that quantify dynamical activity, such as the number of atoms that have changed state while traversing the cavity. The space-time transitions can be either first order or continuous, and are controlled not just by standard parameters of the micromaser but also by nonequilibrium "counting" fields. We discuss how the dynamical phase behavior relates to the better known stationary-state properties of the micromaser.

Susceptibilities to DNA Structural Transitions within Eukaryotic Genomes

Science.gov (United States)

Zhabinskaya, Dina; Benham, Craig; Madden, Sally

2012-02-01

We analyze the competitive transitions to alternate secondary DNA structures in a negatively supercoiled DNA molecule of kilobase length and specified base sequence. We use statistical mechanics to calculate the competition among all regions within the sequence that are susceptible to transitions to alternate structures. We use an approximate numerical method since the calculation of an exact partition function is numerically cumbersome for DNA molecules of lengths longer than hundreds of base pairs. This method yields accurate results in reasonable computational times. We implement algorithms that calculate the competition between transitions to denatured states and to Z-form DNA. We analyze these transitions near the transcription start sites (TSS) of a set of eukaryotic genes. We find an enhancement of Z-forming regions upstream of the TSS and a depletion of denatured regions around the start sites. We confirm that these finding are statistically significant by comparing our results to a set of randomized genes with preserved base composition at each position relative to the gene start sites. When we study the correlation of these transitions in orthologous mouse and human genes we find a clear evolutionary conservation of both types of transitions around the TSS.

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

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

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...

Transient transition from free carrier metallic state to exciton insulating state in GaAs by ultrafast photoexcitation

Science.gov (United States)

Nie, X. C.; Song, Hai-Ying; Zhang, Xiu; Gu, Peng; Liu, Shi-Bing; Li, Fan; Meng, Jian-Qiao; Duan, Yu-Xia; Liu, H. Y.

2018-03-01

We present systematic studies of the transient dynamics of GaAs by ultrafast time-resolved reflectivity. In photoexcited non-equilibrium states, we found a sign reverse in reflectivity change ΔR/R, from positive around room temperature to negative at cryogenic temperatures. The former corresponds to a free carrier metallic state, while the latter is attributed to an exciton insulating state, in which the transient electronic properties is mostly dominated by excitons, resulting in a transient metal–insulator transition (MIT). Two transition temperatures (T 1 and T 2) are well identified by analyzing the intensity change of the transient reflectivity. We found that photoexcited MIT starts emerging at T 1 as high as ∼ 230 K, in terms of a dip feature at 0.4 ps, and becomes stabilized below T 2 that is up to ∼ 180 K, associated with a negative constant after 40 ps. Our results address a phase diagram that provides a framework for the inducing of MIT through temperature and photoexcitation, and may shed light on the understanding of light-semiconductor interaction and exciton physics.

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.)

Transition-state structure in the yeast alcohol dehydrogenase reaction: the magnitude of solvent and alpha-secondary hydrogen isotope effects

International Nuclear Information System (INIS)

Welsh, K.M.; Creighton, D.J.; Klinman, J.P.

1980-01-01

Solvent and alpha-secondary isotope effects have been measured in the yeast alcohol dehydrogenase reaction, under conditions of a rate-limiting transfer of hydrogen between coenzyme and substrate. Determination of catalytic constants in H20 and D20 as a function of pH(D) has allowed the separation of solvent effects on pKa from kcat. The small effect of D20 on pKa is tentatively assigned to ionization of an active-site ZnOH 2 . The near absence of an isotope effect on kcat in the direction of alcohol oxidation rules out a mechanism involving concerted catalysis by an active-site base of hydride transfer. The near identity of kinetic and equilibrium alpha-secondary isotope effects in the direction of alcohol oxidation implicates a transition-state structure which resembles aldehyde with regard to bond hybridization properties. The result contrasts sharply with previously reported structure - reactivity correlations, which implicate a transition-state structure resembling alcohol with regard to charge properties. The significance of these findings to the mechanism of NAD(P)H-dependent redox reactions is discussed

Theoretical spectroscopic studies of the atomic transitions and lifetimes of low-lying states in Ti IV

International Nuclear Information System (INIS)

Mandal, Subhasish; Dixit, Gopal; Majumder, Sonjoy; Sahoo, B K; Chaudhuri, R K

2008-01-01

The astrophysically important electric quadrupole (E2) and magnetic dipole (M1) transitions for the low-lying states of triply ionized titanium (Ti IV) are calculated very accurately using a state-of-the-art all-order many-body theory called coupled cluster (CC) method in the relativistic framework. Different many-body correlations of the CC theory has been estimated by studying the core and valence electron excitations to the unoccupied states. The calculated excitation energies of different states are in excellent agreement with the measurements. Also, we compare our calculated electric dipole (E1) amplitudes of few transitions with recent many-body calculations by others. The lifetimes of the low-lying states of Ti IV have been estimated and long lifetime is found for the first excited 3d 2 D 5/2 state, which suggested that Ti IV may be one of the useful candidates for many fundamental studies of physics. Most of the forbidden transition results reported here are not available in the literature, to the best of our knowledge

State-and-transition model archetypes: a global taxonomy of rangeland change

Science.gov (United States)

State and transition models (STMs) synthesize science-based and local knowledge to formally represent the dynamics of rangeland and other ecosystems. Mental models or concepts of ecosystem dynamics implicitly underlie all management decisions in rangelands and thus how people influence rangeland sus...

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.

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

Pressure controlled transition into a self-induced topological superconducting surface state

KAUST Repository

Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

2014-01-01

Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

Pressure controlled transition into a self-induced topological superconducting surface state

KAUST Repository

Zhu, Zhiyong

2014-02-07

Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

Surface segregation energies in transition-metal alloys

DEFF Research Database (Denmark)

Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

1999-01-01

We present a database of 24 x 24 surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear-muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction...... to the electrostatic potential and energy. We use the database to establish the major factors which govern surface segregation in transition metal alloys. We find that the calculated trends are well described by Friedel's rectangular state density model and that the few but significant deviations from the simple...

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

Kondo-Anderson transitions

Science.gov (United States)

Kettemann, S.; Mucciolo, E. R.; Varga, I.; Slevin, K.

2012-03-01

Dilute magnetic impurities in a disordered Fermi liquid are considered close to the Anderson metal-insulator transition (AMIT). Critical power-law correlations between electron wave functions at different energies in the vicinity of the AMIT result in the formation of pseudogaps of the local density of states. Magnetic impurities can remain unscreened at such sites. We determine the density of the resulting free magnetic moments in the zero-temperature limit. While it is finite on the insulating side of the AMIT, it vanishes at the AMIT, and decays with a power law as function of the distance to the AMIT. Since the fluctuating spins of these free magnetic moments break the time-reversal symmetry of the conduction electrons, we find a shift of the AMIT, and the appearance of a semimetal phase. The distribution function of the Kondo temperature TK is derived at the AMIT, in the metallic phase, and in the insulator phase. This allows us to find the quantum phase diagram in an external magnetic field B and at finite temperature T. We calculate the resulting magnetic susceptibility, the specific heat, and the spin relaxation rate as a function of temperature. We find a phase diagram with finite-temperature transitions among insulator, critical semimetal, and metal phases. These new types of phase transitions are caused by the interplay between Kondo screening and Anderson localization, with the latter being shifted by the appearance of the temperature-dependent spin-flip scattering rate. Accordingly, we name them Kondo-Anderson transitions.

First identification of the 0{sub 2}{sup +} state in {sup 30}Mg via its E0 transition

Energy Technology Data Exchange (ETDEWEB)

Schwerdtfeger, Wolfgang Norbert Erik

2008-08-28

The known 1789 keV level in {sup 30}Mg turned out to be a candidate for the 0{sub 2}{sup +} state due to its long lifetime of 3.9(4) ns and the absence of a {gamma} transition to the ground state. This triggered our search on the 0{sub 2}{sup +}{yields}0{sub 1}{sup +} E0 transition in {sup 30}Mg following the {beta} decay of {sup 30}Na: {beta} 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 {beta} decay electrons. Due to the large Q value of the {beta} decay of {sup 30}Na (17.3 MeV) the suppression of the coincident background induced by high-energy {gamma} 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 {sup 90}Y and a {sup 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{sub 2}{sup +} state in {sup 90}Zr could be corrected by more than 30 % to be t{sub 1/2}=41(1) ns. Finally, in a {beta} decay experiment at the ISOLDE facility at CERN the 0{sub 2}{sup +}{yields}0{sub 1}{sup +} E0 transition in {sup 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 {rho}{sup 2}(E0)=26.2(7.5) x 10{sup -3}, indicating a rather weak mixing between the states in two potential minima in a simplified two

An expression of excess work during the transition between nonequilibrium steady states

International Nuclear Information System (INIS)

Yuge, Tatsuro

2014-01-01

Excess work is a nondiverging part of the work during the transition between nonequilibrium steady states (NESSs). It is a central quantity in steady-state thermodynamics (SST), which is a candidate for nonequilibrium thermodynamics theory. We derive an expression of excess work during quasistatic transitions between NESSs by using the macroscopic linear response relation of the NESS. This expression is a line integral of a vector potential in the space of control parameters. We show a relationship between the vector potential and the response function of the NESS, and thus obtain a relationship between the SST and a macroscopic quantity. We also connect the macroscopic formulation to microscopic physics through a microscopic expression of the nonequilibrium response function, which gives a result that is consistent with previous studies. (paper)

The Multi-state Latent Factor Intensity Model for Credit Rating Transitions

NARCIS (Netherlands)

Koopman, S.J.; Lucas, A.; Monteiro, A.

2008-01-01

A new empirical reduced-form model for credit rating transitions is introduced. It is a parametric intensity-based duration model with multiple states and driven by exogenous covariates and latent dynamic factors. The model has a generalized semi-Markov structure designed to accommodate many of the

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.

Theoretical expression of the internal conversion coefficient of a M1 transition between two atomic states

International Nuclear Information System (INIS)

Attallah, F.; Chemin, J.F.; Scheurer, J.N.; Karpeshin, F.; Harston, M.

1997-01-01

We have established a general relation for the expression of the internal conversion of an M 1 transition a 1s electronic state to an empty ns electronic bound state. Under the hypothesis that the density of the electron level ρ n satisfies the condition ρ n Γ >> 1 (where Γ is the total width of the excited atomic state) a calculation in the first order gives a relation for the internal conversion coefficient.This relation shows that the internal conversion coefficient takes a resonant character when the nuclear energy transition is smaller than the binding energy of the 1s electron. An application of this relation to an M 1 transition in the case of the ion 125 T e with a charge state Q = 45 and an 1s electron binding energy E B 45 = 35.581 KeV gives the value for the internal conversion coefficient R = 5.7

Absolute E0 and E2 transition rates and collective states in 116Sn

International Nuclear Information System (INIS)

Kantele, J.; Julin, R.; Luontama, M.; Passoja, A.; Poikolainen, T.; Baecklin, A.; Jonsson, N.-G.

1978-08-01

Absolute E0 and E2 transition rates in 116 Sn have been measured using several newly developed techniques. Many E2 transitions are observed to have a collective character with B(E2) values of up to 60 W.u. The presence of deformed excited states in 116 Sn is discussed in view of the results obtained. (author)

Critical Transitions in Social Network Activity

DEFF Research Database (Denmark)

Kuehn, Christian; Martens, Erik Andreas; Romero, Daniel M

2014-01-01

A large variety of complex systems in ecology, climate science, biomedicine and engineering have been observed to exhibit tipping points, where the dynamical state of the system abruptly changes. For example, such critical transitions may result in the sudden change of ecological environments...... a priori known events are preceded by variance and autocorrelation growth. Our findings thus clearly establish the necessary starting point to further investigate the relationship between abstract mathematical theory and various classes of critical transitions in social networks....

Gendered transitions to adulthood by college field of study in the United States.

Science.gov (United States)

Han, Siqi; Tumin, Dmitry; Qian, Zhenchao

2016-01-01

Field of study may influence the timing of transitions to the labor market, marriage, and parenthood among college graduates. Research to date has yet to study how field of study is associated with the interweaving of these transitions in the USA. The current study examines gendered influences of college field of study on transitions to a series of adult roles, including full-time work, marriage, and parenthood. We use Cox proportional hazards models and multinomial logistic regression to examine gendered associations between field of study and the three transitions among college graduates of the NLSY97 (National Longitudinal Survey of Youth) cohort. Men majoring in STEM achieve early transitions to full-time work, marriage, and parenthood; women majoring in STEM show no significant advantage in finding full-time work and delayed marriage and childbearing; women in business have earlier transitions to full-time work and marriage than women in other fields, demonstrating an advantage similar to that of men in STEM. The contrast between men and women in STEM shows that transition to adulthood remains gendered; the contrast between women in STEM and women in business illustrates that a prestigious career may not necessarily delay family formation.

Magnetic engineering in 3d transition metals on phosphorene by strain

International Nuclear Information System (INIS)

Cai, Xiaolin; Niu, Chunyao; Wang, Jianjun; Yu, Weiyang; Ren, XiaoYan; Zhu, Zhili

2017-01-01

Using first-principles density functional theory (DFT) calculations, we systematically investigate the strain effects on the adsorption energies, magnetic ordering and electronic properties of 3d transition metal (TM) atoms (from Sc to Co) adsorbed on phosphorene (P). We find that the adsorption energy of TM can be enhanced by compressive strain whereas weakened by tensile strain. Our results show that strain plays a decisive role in the magnetic moments as well as the magnetic coupling states of TM adatoms. Importantly, the transitions from antiferromagnetic (AFM) state to ferromagnetic (FM) state or to another different AFM ordering can be induced by strain effect. In addition, we observe the semiconductor to metal or half-metal transitions in some TM@P systems by applying strain. Our findings shed a new light on precisely engineering the magnetic properties and electronic properties of the TM@P systems, which will have great potential applications in spin electronics and other related fields. - Highlights: • The adsorption of TM atoms on phosphorene can be enhanced by compressive strain whereas weakened by tensile strain. • Strain plays a decisive role in the magnetic moments as well as the magnetic coupling states of TM adatoms. • Applying strain can induce the semiconductor to metal or half-metal transitions in some TM@P systems.

Magnetic engineering in 3d transition metals on phosphorene by strain

Energy Technology Data Exchange (ETDEWEB)

Cai, Xiaolin [International Laboratory for Quantum Functional Materials of Henan and School of Physics and Engineering, Zhengzhou University, Zhengzhou, 450001 (China); School of Physics and Electronic Information Engineering, Henan Polytechnic University, Jiaozuo, 454000 (China); Niu, Chunyao, E-mail: niuchunyao@zzu.edu.cn [International Laboratory for Quantum Functional Materials of Henan and School of Physics and Engineering, Zhengzhou University, Zhengzhou, 450001 (China); Wang, Jianjun [College of Science, Zhongyuan University of Technology, Zhengzhou 450007 (China); Yu, Weiyang [International Laboratory for Quantum Functional Materials of Henan and School of Physics and Engineering, Zhengzhou University, Zhengzhou, 450001 (China); School of Physics and Electronic Information Engineering, Henan Polytechnic University, Jiaozuo, 454000 (China); Ren, XiaoYan; Zhu, Zhili [International Laboratory for Quantum Functional Materials of Henan and School of Physics and Engineering, Zhengzhou University, Zhengzhou, 450001 (China)

2017-04-11

Using first-principles density functional theory (DFT) calculations, we systematically investigate the strain effects on the adsorption energies, magnetic ordering and electronic properties of 3d transition metal (TM) atoms (from Sc to Co) adsorbed on phosphorene (P). We find that the adsorption energy of TM can be enhanced by compressive strain whereas weakened by tensile strain. Our results show that strain plays a decisive role in the magnetic moments as well as the magnetic coupling states of TM adatoms. Importantly, the transitions from antiferromagnetic (AFM) state to ferromagnetic (FM) state or to another different AFM ordering can be induced by strain effect. In addition, we observe the semiconductor to metal or half-metal transitions in some TM@P systems by applying strain. Our findings shed a new light on precisely engineering the magnetic properties and electronic properties of the TM@P systems, which will have great potential applications in spin electronics and other related fields. - Highlights: • The adsorption of TM atoms on phosphorene can be enhanced by compressive strain whereas weakened by tensile strain. • Strain plays a decisive role in the magnetic moments as well as the magnetic coupling states of TM adatoms. • Applying strain can induce the semiconductor to metal or half-metal transitions in some TM@P systems.

Wigner's dynamical transition state theory in phase space : classical and quantum

NARCIS (Netherlands)

Waalkens, Holger; Schubert, Roman; Wiggins, Stephen

We develop Wigner's approach to a dynamical transition state theory in phase space in both the classical and quantum mechanical settings. The key to our development is the construction of a normal form for describing the dynamics in the neighbourhood of a specific type of saddle point that governs

Are boat transition states likely to occur in Cope rearrangements? A DFT study of the biogenesis of germacranes

Directory of Open Access Journals (Sweden)

José Enrique Barquera-Lozada

2017-09-01

Full Text Available It has been proposed that elemanes are biogenetically formed from germacranes by Cope sigmatropic rearrangements. Normally, this reaction proceeds through a transition state with a chair conformation. However, the transformation of schkuhriolide (germacrane into elemanschkuhriolide (elemane may occur through a boat transition state due to the final configuration of the elemanschkuhriolide, but this transition state is questionable due to its high energy. The possible mechanisms of this transformation were studied in the density functional theory frame. The mechanistic differences between the transformation of (Z,E-germacranes and (E,E-germacranes were also studied. We found that (Z,E-germacranolides are significantly more stable than (E,E-germacranolides and elemanolides. In the specific case of schkuhriolide, even when the boat transition state is not energetically favored, a previous hemiacetalization lowers enough the energetic barrier to allow the formation of a very stable elemanolide that is even more stable than its (Z,E-germacrane.

Bus Rapid Transit and Socioeconomic Condition of Bus Commuters in Lagos State

Directory of Open Access Journals (Sweden)

Owolabi L. Kuye

2017-10-01

Full Text Available Road transport is one of the most common means of transportation across the world. Bus transportation in Nigeria had witnessed many problems for the past decades considering the growing population with the attendant loss of lives and properties in most cities like Lagos in Nigeria. This paper focuses on the adequacy of services provided by Bus Rapid Transit (BRT in Lagos State with respect to the extent to which it influences the socioeconomic conditions of bus commuters. It examines the effect of services rendered by BRT on cost reduction potential, income and safety. Multistage sampling technique was used to select 20 samples each from all respondents in all local government area in Lagos State to reach a total of three hundred and thirty (330 samples. The data collection instrument was the questionnaire which was validated. Data collected were analysed with the use of descriptive statistics such as means, percentages and standard deviation and inferential statistics such as regression and analysis of variance techniques. Findings showed that BRT services has reduced the cost of bus commuters and also increased safety and security thereby increasing the socioeconomic condition of Lagosians. The study recommends improvements in BRT services through the deployment of technology as it had been used in developed countries.

Conditions and Linear Stability Analysis at the Transition to Synchronization of Three Coupled Phase Oscillators in a Ring

Science.gov (United States)

El-Nashar, Hassan F.

2017-06-01

We consider a system of three nonidentical coupled phase oscillators in a ring topology. We explore the conditions that must be satisfied in order to obtain the phases at the transition to a synchrony state. These conditions lead to the correct mathematical expressions of phases that aid to find a simple analytic formula for critical coupling when the oscillators transit to a synchronization state having a common frequency value. The finding of a simple expression for the critical coupling allows us to perform a linear stability analysis at the transition to the synchronization stage. The obtained analytic forms of the eigenvalues show that the three coupled phase oscillators with periodic boundary conditions transit to a synchrony state when a saddle-node bifurcation occurs.

Glass-to-cryogenic-liquid transitions in aqueous solutions suggested by crack healing.

Science.gov (United States)

Kim, Chae Un; Tate, Mark W; Gruner, Sol M

2015-09-22

Observation of theorized glass-to-liquid transitions between low-density amorphous (LDA) and high-density amorphous (HDA) water states had been stymied by rapid crystallization below the homogeneous water nucleation temperature (∼235 K at 0.1 MPa). We report optical and X-ray observations suggestive of glass-to-liquid transitions in these states. Crack healing, indicative of liquid, occurs when LDA ice transforms to cubic ice at 160 K, and when HDA ice transforms to the LDA state at temperatures as low as 120 K. X-ray diffraction study of the HDA to LDA transition clearly shows the characteristics of a first-order transition. Study of the glass-to-liquid transitions in nanoconfined aqueous solutions shows them to be independent of the solute concentrations, suggesting that they represent an intrinsic property of water. These findings support theories that LDA and HDA ice are thermodynamically distinct and that they are continuously connected to two different liquid states of water.

Glass-to-cryogenic-liquid transitions in aqueous solutions suggested by crack healing

Science.gov (United States)

Kim, Chae Un; Tate, Mark W.; Gruner, Sol M.

2015-01-01

Observation of theorized glass-to-liquid transitions between low-density amorphous (LDA) and high-density amorphous (HDA) water states had been stymied by rapid crystallization below the homogeneous water nucleation temperature (∼235 K at 0.1 MPa). We report optical and X-ray observations suggestive of glass-to-liquid transitions in these states. Crack healing, indicative of liquid, occurs when LDA ice transforms to cubic ice at 160 K, and when HDA ice transforms to the LDA state at temperatures as low as 120 K. X-ray diffraction study of the HDA to LDA transition clearly shows the characteristics of a first-order transition. Study of the glass-to-liquid transitions in nanoconfined aqueous solutions shows them to be independent of the solute concentrations, suggesting that they represent an intrinsic property of water. These findings support theories that LDA and HDA ice are thermodynamically distinct and that they are continuously connected to two different liquid states of water. PMID:26351671

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.

Concurrent transition of ferroelectric and magnetic ordering near room temperature.

Science.gov (United States)

Ko, Kyung-Tae; Jung, Min Hwa; He, Qing; Lee, Jin Hong; Woo, Chang Su; Chu, Kanghyun; Seidel, Jan; Jeon, Byung-Gu; Oh, Yoon Seok; Kim, Kee Hoon; Liang, Wen-I; Chen, Hsiang-Jung; Chu, Ying-Hao; Jeong, Yoon Hee; Ramesh, Ramamoorthy; Park, Jae-Hoon; Yang, Chan-Ho

2011-11-29

Strong spin-lattice coupling in condensed matter gives rise to intriguing physical phenomena such as colossal magnetoresistance and giant magnetoelectric effects. The phenomenological hallmark of such a strong spin-lattice coupling is the manifestation of a large anomaly in the crystal structure at the magnetic transition temperature. Here we report that the magnetic Néel temperature of the multiferroic compound BiFeO(3) is suppressed to around room temperature by heteroepitaxial misfit strain. Remarkably, the ferroelectric state undergoes a first-order transition to another ferroelectric state simultaneously with the magnetic transition temperature. Our findings provide a unique example of a concurrent magnetic and ferroelectric transition at the same temperature among proper ferroelectrics, taking a step toward room temperature magnetoelectric applications.

What factors are associated with state performance on provision of transition services to CSHCN?

Science.gov (United States)

Kane, Debra J; Kasehagen, Laurin; Punyko, Judy; Carle, Adam C; Penziner, Andy; Thorson, Sarah

2009-12-01

To examine whether individual, condition-related, and system-related characteristics are associated with state performance (high, medium, low) on the provision of transition services to children with special health care needs (CSHCN). We conducted descriptive, bivariate, and multivariable analyses of 16876 children aged 12 to 17 years by using data from the 2005-2006 National Survey of Children With Special Health Care Needs. Polytomous logistic regression was used to compare the characteristics of CSHCN residing within high-, medium-, and low-performance states, with low-performance states serving as the reference group. Compared with non-Hispanic white CSHCN, Hispanic (adjusted odds ratio [aOR]: 0.25 [95% confidence interval (CI): 0.17-0.37]) and non-Hispanic black (aOR: 0.44 [95% CI: 0.30-0.62]) CSHCN were less likely to reside in a high-performance than in a low-performance state. Compared with CSHCN who had a medical home or adequate insurance coverage, CSHCN who did not have a medical home or adequate insurance coverage were less likely to reside in a high-performance than in a low-performance state (aOR: 0.73 [95% CI: 0.57-0.95]; aOR: 0.73 [95% CI: 0.58-0.93], respectively). Key factors found to be important in a state's performance on provision of transition services to CSHCN were race/ethnicity and having a medical home and adequate insurance coverage. Efforts to support the Maternal and Child Health Bureau's integration of system-level factors in quality-improvement activities, particularly establishing a medical home and attaining and maintaining adequate insurance, are likely to help states improve their performance on provision of transition services.

Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules

International Nuclear Information System (INIS)

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

1979-01-01

Canonical variational transition state theory, microcanonical variational transition state theory, and Miller's unified statistical theory were used in an attempt to correct two major deficiencies of the conventional transition state theory. These are: (1) the necessity of extra assumptions to include quantum mechanical tunneling effects and (2) the fundamental assumption that trajectories crossing a dividing surface in phase space proceed directly to products. The accuracy of these approximate methods were tested by performing calculations for several collinear reactions of hydrogen, deuterium, chlorine, or iodine, with five isotopes of hydrogen molecules and comparison of these results with those from accurate quantitative calculations of the reaction probabilities as functions of energy and of the thermal rate constants as functions of temperature. 49 references, 28 figures, 17 tables

Molecular dynamics simulation of bovine pancreatic ribonuclease A-CpA and transition state-like complexes.

Science.gov (United States)

Formoso, Elena; Matxain, Jon M; Lopez, Xabier; York, Darrin M

2010-06-03

The mechanisms of enzymes are intimately connected with their overall structure and dynamics in solution. Experimentally, it is considerably challenging to provide detailed atomic level information about the conformational events that occur at different stages along the chemical reaction path. Here, theoretical tools may offer new potential insights that complement those obtained from experiments that may not yield an unambiguous mechanistic interpretation. In this study, we apply molecular dynamics simulations of bovine pancreatic ribonuclease A, an archetype ribonuclease, to study the conformational dynamics, structural relaxation, and differential solvation that occur at discrete stages of the transesterification and cleavage reaction. Simulations were performed with explicit solvation with rigorous electrostatics and utilize recently developed molecular mechanical force field parameters for transphosphorylation and hydrolysis transition state analogues. Herein, we present results for the enzyme complexed with the dinucleotide substrate cytidilyl-3',5'-adenosine (CpA) in the reactant, and transphosphorylation and hydrolysis transition states. A detailed analysis of active site structures and hydrogen-bond patterns is presented and compared. The integrity of the overall backbone structure is preserved in the simulations and supports a mechanism whereby His12 stabilizes accumulating negative charge at the transition states through hydrogen-bond donation to the nonbridge oxygens. Lys41 is shown to be highly versatile along the reaction coordinate and can aid in the stabilization of the dianionic transition state, while being poised to act as a general acid catalyst in the hydrolysis step.

Finding and development costs in the United States

International Nuclear Information System (INIS)

Espenshade, S.A.

1996-01-01

The finding and development costs, or reserve replacement costs have become important statistics for benchmarking independent oil and gas companies against one another. However, no standard definition for finding costs exists. Every company reports their costs differently because of different accounting practices. The time period a company uses to calculate its finding costs is also important. Since exploring for a field and developing new properties involves a long lead time, costs should be calculated on an annual basis. Reserve replacement costs should include: acquisition costs, developments costs, exploration costs, geological and geophysical costs, general and administrative costs, drilling costs and improved recovery costs. The importance of independent oil and gas companies was emphasized. They drill 85% of all the wells in the United States and produce 64% of the natural gas and 37% of the crude oil. In the lower 48 states alone, they produce 49% of the crude oil. Lightening of regulatory and legislative burdens, opening up access to more public lands, improving the tax situation, and to obtain royalty relief, were considered essential to providing for the energy needs of Americans in the years to come. 12 figs

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)

Primary transitions between the yrast superdeformed band and low-lying normal deformed states in {sup 194}Pb

Energy Technology Data Exchange (ETDEWEB)

Hauschild, K.; Bernstein, L.A.; Becker, J.A. [Lawrence Livermore National Lab., CA (United States)] [and others

1996-12-31

The observation of one-step `primary` gamma-ray transitions directly linking the superdeformed (SD) states to the normal deformed (ND) low-lying states of known excitation energies (E{sub x}), spins and parities (J{sup {pi}}) is crucial to determining the E{sub x} and J{sup {pi}} of the SD states. With this knowledge one can begin to address some of the outstanding problems associated with SD nuclei, such as the identical band issue, and one can also place more stringent restrictions on theoretical calculations which predict SD states and their properties. Brinkman, et al., used the early implementation of the GAMMASPHERE spectrometer array (32 detectors) and proposed a single, candidate {gamma} ray linking the {sup 194}Pb yrast SD band to the low-lying ND states in {sup 194}Pb. Using 55 detectors in the GAMMASPHERE array Khoo, et al., observed multiple links between the yrast SD band in {sup 194}Hg and the low-lying level scheme and conclusively determined E{sub x} and J of the yrast SD states. Here the authors report on an experiment in which Gammasphere with 88 detectors was used and the E{sub x} and J{sup {pi}} values of the yrast SD states in {sup 194}Pb were uniquely determined. Twelve one-step linking transitions between the yrast SD band and low-lying states in {sup 194}Pb have been identified, including the transition proposed by Brinkman. These transitions have been placed in the level scheme of {sup 194}Pb using coincidence relationships and agreements between the energies of the primary transitions and the energy differences in level spacings. Furthermore, measurements of angular asymmetries have yielded the multipolarities of the primaries which have allowed J{sup {pi}} assignments of the {sup 194}Pb SD states to be unambiguously determined for the first time without a priori assumptions about the character of SD bands. A study performed in parallel to this work using the EUROGAM-II array reports similar, but somewhat less extensive, results.

Different secondary structure elements as scaffolds for protein folding transition states of two homologous four-helix bundles.

Science.gov (United States)

Teilum, Kaare; Thormann, Thorsten; Caterer, Nigel R; Poulsen, Heidi I; Jensen, Peter H; Knudsen, Jens; Kragelund, Birthe B; Poulsen, Flemming M

2005-04-01

Comparison of the folding processes for homologue proteins can provide valuable information about details in the interactions leading to the formation of the folding transition state. Here the folding kinetics of 18 variants of yACBP and 3 variants of bACBP have been studied by Phi-value analysis. In combination with Phi-values from previous work, detailed insight into the transition states for folding of both yACBP and bACBP has been obtained. Of the 16 sequence positions that have been studied in both yACBP and bACBP, 5 (V12, I/L27, Y73, V77, and L80) have high Phi-values and appear to be important for the transition state formation in both homologues. Y31, A34, and A69 have high Phi-values only in yACBP, while F5, A9, and I74 have high Phi-values only in bACBP. Thus, additional interactions between helices A2 and A4 appear to be important for the transition state of yACBP, whereas additional interactions between helices A1 and A4 appear to be important for the transition state of bACBP. To examine whether these differences could be assigned to different packing of the residues in the native state, a solution structure of yACBP was determined by NMR. Small changes in the packing of the hydrophobic side-chains, which strengthen the interactions between helices A2 and A4, are observed in yACBP relative to bACBP. It is suggested that different structure elements serve as scaffolds for the folding of the 2 ACBP homologues. (c) 2005 Wiley-Liss, Inc.

Single-step linking transition from superdeformed to spherical states in {sup 143}Eu

Energy Technology Data Exchange (ETDEWEB)

Atac, A.; Axelsson, A.; Persson, J. [Uppsala Univ. (Sweden)] [and others

1996-12-31

A discrete {gamma}-ray transition which connects the second lowest SD state with a normally deformed one in {sup 143}Eu has been discovered. It has an energy of 3360.6 keV and carries 3.2 % of the full intensity of the SD band. It feeds into a nearly spherical state which is above the I = 35/2{sup +}, E=4947 keV level. The exact placement of the single-step link could, however, not be established due to the especially complicated level scheme in the region of interest. The angular correlation study favours a stretched dipole character for the 3360.6 keV transition. The single-step link agrees well with the previously determined two-step links, both with respect to energy and spin.

Educational Transitions in the United States: Reflections on the American Dream

Science.gov (United States)

Crawford, Paul T.

2012-01-01

Education involves socialization so that individuals become productive members of society. At present, in the United States, educational transitions are primarily viewed in terms of their location in an outcomes-oriented process and framed as helping people achieve the American Dream, but in terms of the status quo national economic interest. But…

State safety oversight program : audit of the tri-state oversight committee and the Washington metropolitan area transit authority, final audit report, March 4, 2010.

Science.gov (United States)

2010-03-04

The Federal Transit Administration (FTA) conducted an on-site audit of the safety program implemented by the Washington Metropolitan Area Transit Authority (WMATA) and overseen by the Tri-State Oversight Committee (TOC) between December 14 and 17, 20...

Predictions of glass transition temperature for hydrogen bonding biomaterials.

Science.gov (United States)

van der Sman, R G M

2013-12-19

We show that the glass transition of a multitude of mixtures containing hydrogen bonding materials correlates strongly with the effective number of hydroxyl groups per molecule, which are available for intermolecular hydrogen bonding. This correlation is in compliance with the topological constraint theory, wherein the intermolecular hydrogen bonds constrain the mobility of the hydrogen bonded network. The finding that the glass transition relates to hydrogen bonding rather than free volume agrees with our recent finding that there is little difference in free volume among carbohydrates and polysaccharides. For binary and ternary mixtures of sugars, polyols, or biopolymers with water, our correlation states that the glass transition temperature is linear with the inverse of the number of effective hydroxyl groups per molecule. Only for dry biopolymer/sugar or sugar/polyol mixtures do we find deviations due to nonideal mixing, imposed by microheterogeneity.

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.

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

Science.gov (United States)

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

2013-01-01

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

Gendered transitions to adulthood by college field of study in the United States

Science.gov (United States)

Han, Siqi; Tumin, Dmitry; Qian, Zhenchao

2017-01-01

BACKGROUND Field of study may influence the timing of transitions to the labor market, marriage, and parenthood among college graduates. Research to date has yet to study how field of study is associated with the interweaving of these transitions in the USA. OBJECTIVE The current study examines gendered influences of college field of study on transitions to a series of adult roles, including full-time work, marriage, and parenthood. METHODS We use Cox proportional hazards models and multinomial logistic regression to examine gendered associations between field of study and the three transitions among college graduates of the NLSY97 (National Longitudinal Survey of Youth) cohort. RESULTS Men majoring in STEM achieve early transitions to full-time work, marriage, and parenthood; women majoring in STEM show no significant advantage in finding full-time work and delayed marriage and childbearing; women in business have earlier transitions to full-time work and marriage than women in other fields, demonstrating an advantage similar to that of men in STEM. CONCLUSIONS The contrast between men and women in STEM shows that transition to adulthood remains gendered; the contrast between women in STEM and women in business illustrates that a prestigious career may not necessarily delay family formation. PMID:29075146

Four Generations of Transition State Analogues for Human Purine Nucleoside Phosphorylase

Energy Technology Data Exchange (ETDEWEB)

Ho, M.; Shi, W; Rinaldo-Mathis, A; Tyler, P; Evans, G; Almo, S; Schramm, V

2010-01-01

Inhibition of human purine nucleoside phosphorylase (PNP) stops growth of activated T-cells and the formation of 6-oxypurine bases, making it a target for leukemia, autoimmune disorders, and gout. Four generations of ribocation transition-state mimics bound to PNP are structurally characterized. Immucillin-H (K*{sub i} = 58 pM, first-generation) contains an iminoribitol cation with four asymmetric carbons. DADMe-Immucillin-H (K*{sub i} = 9 pM, second-generation), uses a methylene-bridged dihydroxypyrrolidine cation with two asymmetric centers. DATMe-Immucillin-H (K*{sub i} = 9 pM, third-generation) contains an open-chain amino alcohol cation with two asymmetric carbons. SerMe-ImmH (K*{sub i} = 5 pM, fourth-generation) uses achiral dihydroxyaminoalcohol seramide as the ribocation mimic. Crystal structures of PNPs establish features of tight binding to be; (1) ion-pair formation between bound phosphate (or its mimic) and inhibitor cation, (2) leaving-group interactions to N1, O6, and N7 of 9-deazahypoxanthine, (3) interaction between phosphate and inhibitor hydroxyl groups, and (4) His257 interacting with the 5{prime}-hydroxyl group. The first generation analogue is an imperfect fit to the catalytic site with a long ion pair distance between the iminoribitol and bound phosphate and weaker interactions to the leaving group. Increasing the ribocation to leaving-group distance in the second- to fourth-generation analogues provides powerful binding interactions and a facile synthetic route to powerful inhibitors. Despite chemical diversity in the four generations of transition-state analogues, the catalytic site geometry is almost the same for all analogues. Multiple solutions in transition-state analogue design are available to convert the energy of catalytic rate enhancement to binding energy in human PNP.

Theory of Valence Transitions in Ytterbium and Europium Intermetallics

International Nuclear Information System (INIS)

Zlatic, V.; Freericks, J.K.

2001-01-01

The exact solution of the multi-component Falicov-Kimball model in infinite-dimensions is presented and used to discuss a new fixed point of valence fluctuating intermetallics with Yb and Eu ions. In these compounds, temperature, external magnetic field, pressure, or chemical pressure induce a transition between a metallic state with the f-ions in a mixed-valent (non-magnetic) configuration and a semi-metallic state with the f-ions in an integral-valence (paramagnetic) configuration. The zero-field transition occurs at the temperature T V , while the zero-temperature transition sets in at the critical field H c . We present the thermodynamic and dynamic properties of the model for an arbitrary concentration of d- and f -electrons. For large U, we find a MI transition, triggered by the temperature or field- induced change in the f-occupancy. (author)

Photoemission from solids: the transition from solid-state to atomic physics

International Nuclear Information System (INIS)

Shirley, D.A.

1980-08-01

As the photon energy is increased, photoemission from solids undergoes a slow transition from solid-state to atomic behavior. However, throughout the energy range hν = 10 to 1000 eV or higher both types of phenomena are present. Thus angle-resolved photoemission can only be understood quantitatively if each experimenter recognizes the presence of band-structure, photoelectron diffraction, and photoelectron asymmetry effects. The quest for this understanding will build some interesting bridges between solid-state and atomic physics and should also yield important new insights about the phenomena associated with photoemission

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.)

Regimes of radiative and nonradiative transitions in transport through an electronic system in a photon cavity reaching a steady state

Science.gov (United States)

Gudmundsson, Vidar; Jonsson, Thorsteinn H.; Bernodusson, Maria Laura; Abdullah, Nzar Rauf; Sitek, Anna; Goan, Hsi-Sheng; Tang, Chi-Shung; Manolescu, Andrei

2017-01-01

We analyze how a multilevel many-electron system in a photon cavity approaches the steady state when coupled to external leads. When a plunger gate is used to lower cavity photon dressed one- and two-electron states below the bias window defined by the external leads, we can identify one regime with nonradiative transitions dominating the electron transport, and another regime with radiative transitions. Both transitions trap the electrons in the states below the bias bringing the system into a steady state. The order of the two regimes and their relative strength depends on the location of the bias window in the energy spectrum of the system and the initial conditions.

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

Science.gov (United States)

Meyer, R J

1999-12-01

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

Identity, Family, and Faith: U.S. Third Culture Kids Transition to College

Science.gov (United States)

Kortegast, Carrie; Yount, Emily M.

2016-01-01

Recent trends in globalization have increased the number of U.S. children and adolescents being raised outside the United States. Using the framework of adults in transition, the authors sought to understand the structure of Third Culture Kids' (TCKs), specifically Missionary Kids', transition to college. Findings indicate that participants must…

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.

Analysis of the chloroplast protein kinase Stt7 during state transitions.

Directory of Open Access Journals (Sweden)

Sylvain Lemeille

2009-03-01

Full Text Available State transitions allow for the balancing of the light excitation energy between photosystem I and photosystem II and for optimal photosynthetic activity when photosynthetic organisms are subjected to changing light conditions. This process is regulated by the redox state of the plastoquinone pool through the Stt7/STN7 protein kinase required for phosphorylation of the light-harvesting complex LHCII and for the reversible displacement of the mobile LHCII between the photosystems. We show that Stt7 is associated with photosynthetic complexes including LHCII, photosystem I, and the cytochrome b6f complex. Our data reveal that Stt7 acts in catalytic amounts. We also provide evidence that Stt7 contains a transmembrane region that separates its catalytic kinase domain on the stromal side from its N-terminal end in the thylakoid lumen with two conserved Cys that are critical for its activity and state transitions. On the basis of these data, we propose that the activity of Stt7 is regulated through its transmembrane domain and that a disulfide bond between the two lumen Cys is essential for its activity. The high-light-induced reduction of this bond may occur through a transthylakoid thiol-reducing pathway driven by the ferredoxin-thioredoxin system which is also required for cytochrome b6f assembly and heme biogenesis.

Stress-induced state transitions in flexible liquid-crystal devices

International Nuclear Information System (INIS)

Ho, I-Lin; Chang, Yia-Chung

2012-01-01

This work studies the stress-strain dynamics for the transient optoelectronic characteristics of flexible liquid-crystal (LC) devices. Due to the fast response of LC directors, the configuration of the LC is assumed to be in quasi-equilibrium during the process of elastic deformations of the flexible structures. The LC medium hence can be treated effectively as a thin-film layer and can approximately follow the strain-stress mechanism in the solids. Relevant theoretical algorithms are studied in this work, and numerical results present the stress-induced state transitions in the π cell.

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.

A simple method for finding explicit analytic transition densities of diffusion processes with general diploid selection.

Science.gov (United States)

Song, Yun S; Steinrücken, Matthias

2012-03-01

The transition density function of the Wright-Fisher diffusion describes the evolution of population-wide allele frequencies over time. This function has important practical applications in population genetics, but finding an explicit formula under a general diploid selection model has remained a difficult open problem. In this article, we develop a new computational method to tackle this classic problem. Specifically, our method explicitly finds the eigenvalues and eigenfunctions of the diffusion generator associated with the Wright-Fisher diffusion with recurrent mutation and arbitrary diploid selection, thus allowing one to obtain an accurate spectral representation of the transition density function. Simplicity is one of the appealing features of our approach. Although our derivation involves somewhat advanced mathematical concepts, the resulting algorithm is quite simple and efficient, only involving standard linear algebra. Furthermore, unlike previous approaches based on perturbation, which is applicable only when the population-scaled selection coefficient is small, our method is nonperturbative and is valid for a broad range of parameter values. As a by-product of our work, we obtain the rate of convergence to the stationary distribution under mutation-selection balance.

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.

Theory of collisional excitation transition between Rydberg states of atoms. Non-inertial mechanism

International Nuclear Information System (INIS)

Kaulakys, B.P.

1982-01-01

The transitions between highly states of an atom due to the collision of its core with another atom are considered. The cross sections of the change of highly excited electron angular momentum, in the case of the transitions when the main quantum number is constant, are expressed in terms of transport cross sections of the perturbing atom scattering on the ion of Rydberg atom. It is shown that the cross sections of the momentum mixing at thermal rapidities are lower than the cross sections of the atom-ion elastic scattering

Topological phase transition in the quench dynamics of a one-dimensional Fermi gas with spin–orbit coupling

International Nuclear Information System (INIS)

Wang, Pei; Yi, Wei; Xianlong, Gao

2015-01-01

We study the quench dynamics of a one-dimensional ultracold Fermi gas with synthetic spin-orbit coupling. At equilibrium, the ground state of the system can undergo a topological phase transition and become a topological superfluid with Majorana edge states. As the interaction is quenched near the topological phase boundary, we identify an interesting dynamical phase transition of the quenched state in the long-time limit, characterized by an abrupt change of the pairing gap at a critical quenched interaction strength. We further demonstrate the topological nature of this dynamical phase transition from edge-state analysis of the quenched states. Our findings provide interesting clues for the understanding of topological phase transitions in dynamical processes, and can be useful for the dynamical detection of Majorana edge states in corresponding systems. (paper)

Topological phase transition in the quench dynamics of a one-dimensional Fermi gas with spin-orbit coupling

Science.gov (United States)

Wang, Pei; Yi, Wei; Xianlong, Gao

2015-01-01

We study the quench dynamics of a one-dimensional ultracold Fermi gas with synthetic spin-orbit coupling. At equilibrium, the ground state of the system can undergo a topological phase transition and become a topological superfluid with Majorana edge states. As the interaction is quenched near the topological phase boundary, we identify an interesting dynamical phase transition of the quenched state in the long-time limit, characterized by an abrupt change of the pairing gap at a critical quenched interaction strength. We further demonstrate the topological nature of this dynamical phase transition from edge-state analysis of the quenched states. Our findings provide interesting clues for the understanding of topological phase transitions in dynamical processes, and can be useful for the dynamical detection of Majorana edge states in corresponding systems.

Electromagnetic transitions in nuclei between states with different deformation for the case H>=Ksub(iota)+Ksub(j)

International Nuclear Information System (INIS)

Kopanets, E.G.; Inopin, E.V.; Korda, L.P.

1980-01-01

Calculations of matrix elements of the electromagnetic transitions at the multipolarity L>Ksub(i)+Ksub(f), where Ksub(i) and Ksub(f) are the projections of the total moment of the final and initial states on the nucleus symmetry axis, have been carried out E2transitions between the low-lying levels -/ of the rotational bands of 23 Na, 29 P, 35 Cl and 37 Cl nuclei have been investigated. The ranges of the initial and final state deformation parameters are given at which a coincidence is observed between the calculated and experimental values of the probability of E2-transitions between the ground states of the rotational bands. A conclusion has been made that the theory and experiments can agree only on the assumption that changes in nucleus equilibrium deformation take place not only in the case of single-particle levels but also in the case of the same rotational band. This indicates to breaking the adiabatic approximation due to mixing the states with different K caused by the Coriolis interaction [ru

Predicting a new phase (T'') of two-dimensional transition metal di-chalcogenides and strain-controlled topological phase transition

Science.gov (United States)

Ma, Fengxian; Gao, Guoping; Jiao, Yalong; Gu, Yuantong; Bilic, Ante; Zhang, Haijun; Chen, Zhongfang; Du, Aijun

2016-02-01

Single layered transition metal dichalcogenides have attracted tremendous research interest due to their structural phase diversities. By using a global optimization approach, we have discovered a new phase of transition metal dichalcogenides (labelled as T''), which is confirmed to be energetically, dynamically and kinetically stable by our first-principles calculations. The new T'' MoS2 phase exhibits an intrinsic quantum spin Hall (QSH) effect with a nontrivial gap as large as 0.42 eV, suggesting that a two-dimensional (2D) topological insulator can be achieved at room temperature. Most interestingly, there is a topological phase transition simply driven by a small tensile strain of up to 2%. Furthermore, all the known MX2 (M = Mo or W; X = S, Se or Te) monolayers in the new T'' phase unambiguously display similar band topologies and strain controlled topological phase transitions. Our findings greatly enrich the 2D families of transition metal dichalcogenides and offer a feasible way to control the electronic states of 2D topological insulators for the fabrication of high-speed spintronics devices.Single layered transition metal dichalcogenides have attracted tremendous research interest due to their structural phase diversities. By using a global optimization approach, we have discovered a new phase of transition metal dichalcogenides (labelled as T''), which is confirmed to be energetically, dynamically and kinetically stable by our first-principles calculations. The new T'' MoS2 phase exhibits an intrinsic quantum spin Hall (QSH) effect with a nontrivial gap as large as 0.42 eV, suggesting that a two-dimensional (2D) topological insulator can be achieved at room temperature. Most interestingly, there is a topological phase transition simply driven by a small tensile strain of up to 2%. Furthermore, all the known MX2 (M = Mo or W; X = S, Se or Te) monolayers in the new T'' phase unambiguously display similar band topologies and strain controlled topological

Radiative Transitions in Charmonium from Lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Jozef Dudek; Robert Edwards; David Richards

2006-01-17

Radiative transitions between charmonium states offer an insight into the internal structure of heavy-quark bound states within QCD. We compute, for the first time within lattice QCD, the transition form-factors of various multipolarities between the lightest few charmonium states. In addition, we compute the experimentally unobservable, but physically interesting vector form-factors of the {eta}{sub c}, J/{psi} and {chi}{sub c0}. To this end we apply an ambitious combination of lattice techniques, computing three-point functions with heavy domain wall fermions on an anisotropic lattice within the quenched approximation. With an anisotropy {xi} = 3 at a{sub s} {approx} 0.1 fm we find a reasonable gross spectrum and a hyperfine splitting {approx}90 MeV, which compares favorably with other improved actions. In general, after extrapolation of lattice data at non-zero Q{sup 2} to the photopoint, our results agree within errors with all well measured experimental values. Furthermore, results are compared with the expectations of simple quark models where we find that many features are in agreement; beyond this we propose the possibility of constraining such models using our extracted values of physically unobservable quantities such as the J/{psi} quadrupole moment. We conclude that our methods are successful and propose to apply them to the problem of radiative transitions involving hybrid mesons, with the eventual goal of predicting hybrid meson photoproduction rates at the GlueX experiment.

Gendered transitions to adulthood by college field of study in the United States

Directory of Open Access Journals (Sweden)

Siqi Han

2016-09-01

Full Text Available Background: Field of study may influence the timing of transitions to the labor market, marriage, and parenthood among college graduates. Research to date has yet to study how field of study is associated with the interweaving of these transitions in the USA. Objective: The current study examines gendered influences of college field of study on transitions to a series of adult roles, including full-time work, marriage, and parenthood. Methods: We use Cox proportional hazards models and multinomial logistic regression to examine gendered associations between field of study and the three transitions among college graduates of the NLSY97 (National Longitudinal Survey of Youth cohort. Results: Men majoring in STEM achieve early transitions to full-time work, marriage, and parenthood; women majoring in STEM show no significant advantage in finding full-time work and delayed marriage and childbearing; women in business have earlier transitions to full-time work and marriage than women in other fields, demonstrating an advantage similar to that of men in STEM. Conclusions: The contrast between men and women in STEM shows that transition to adulthood remains gendered; the contrast between women in STEM and women in business illustrates that a prestigious career may not necessarily delay family formation. Contribution: The paper shows how stratification by field of study creates gendered demographic outcomes for college graduates. It also demonstrates that women's decisions regarding marriage and parenthood do not uniformly respond to the economic prospect of their work.

Polaronic and dressed molecular states in orbital Feshbach resonances

Science.gov (United States)

Xu, Junjun; Qi, Ran

2018-04-01

We consider the impurity problem in an orbital Feshbach resonance (OFR), with a single excited clock state | e ↑⟩ atom immersed in a Fermi sea of electronic ground state | g ↓⟩. We calculate the polaron effective mass and quasi-particle residue, as well as the polaron to molecule transition. By including one particle-hole excitation in the molecular state, we find significant correction to the transition point. This transition point moves toward the BCS side for increasing particle densities, which suggests that the corresponding many-body physics is similar to a narrow resonance.

Glass transition and aging in dense suspensions of thermosensitive microgel particles

NARCIS (Netherlands)

Purnomo, E.H; van den Ende, Henricus T.M.; Vanapalli Veera, V.S.A.R.; Vanapalli, Srinivas; Mugele, Friedrich Gunther

2008-01-01

We report a thermosensitive microgel suspension that can be tuned reversibly between the glass state at low temperature and the liquid state at high temperature. Unlike hard spheres, we find that the glass transition for these suspensions is governed by both the volume fraction and the softness of

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; Yoshino, Hajime; Kim, Bongsoo

2012-01-01

-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

Transition Dipole Moments and Transition Probabilities of the CN Radical

Science.gov (United States)

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

2018-04-01

This paper studies the transition probabilities of electric dipole transitions between 10 low-lying states of the CN radical. These states are X2Σ+, A2Π, B2Σ+, a4Σ+, b4Π, 14Σ‑, 24Π, 14Δ, 16Σ+, and 16Π. The potential energy curves are calculated using the CASSCF method, which is followed by the icMRCI approach with the Davidson correction. The transition dipole moments between different states are calculated. To improve the accuracy of 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 included. The Franck–Condon factors and Einstein coefficients of emissions are calculated. The radiative lifetimes are determined for the vibrational levels of the A2Π, B2Σ+, b4Π, 14Σ‑, 24Π, 14Δ, and 16Π states. According to the transition probabilities and radiative lifetimes, some guidelines for detecting these states spectroscopically are proposed. The spin–orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The splitting energy in the A2Π state is determined to be 50.99 cm‑1, which compares well with the experimental ones. The potential energy curves, transition dipole moments, spectroscopic parameters, and transition probabilities reported in this paper can be considered to be very reliable. The results obtained here can be used as guidelines for detecting these transitions, in particular those that have not been measured in previous experiments or have not been observed in the Sun, comets, stellar atmospheres, dark interstellar clouds, and diffuse interstellar clouds.

Phase separation in the nonequilibrium Verwey transition in magnetite

Science.gov (United States)

Randi, F.; Vergara, I.; Novelli, F.; Esposito, M.; Dell'Angela, M.; Brabers, V. A. M.; Metcalf, P.; Kukreja, R.; Dürr, H. A.; Fausti, D.; Grüninger, M.; Parmigiani, F.

2016-02-01

We present equilibrium and out-of-equilibrium studies of the Verwey transition in magnetite. In the equilibrium optical conductivity, we find a steplike change at the phase transition for photon energies below about 2 eV. The possibility of triggering a nonequilibrium transient metallic state in insulating magnetite by photo excitation was recently demonstrated by an x-ray study. Here we report a full characterization of the optical properties in the visible frequency range across the nonequilibrium phase transition. Our analysis of the spectral features is based on a detailed description of the equilibrium properties. The out-of-equilibrium optical data bear the initial electronic response associated to localized photoexcitation, the occurrence of phase separation, and the transition to a transient metallic phase for excitation density larger than a critical value. This allows us to identify the electronic nature of the transient state, to unveil the phase transition dynamics, and to study the consequences of phase separation on the reflectivity, suggesting a spectroscopic feature that may be generally linked to out-of-equilibrium phase separation.

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...

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.

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.

Cumulative causation, market transition, and emigration from China.

Science.gov (United States)

Liang, Zai; Chunyu, Miao David; Zhuang, Guotu; Ye, Wenzhen

2008-11-01

This article reports findings from a recent survey of international migration from China's Fujian Province to the United States. Using the ethnosurvey approach developed in the Mexican Migration Project, the authors conducted surveys in migrant-sending communities in China as well as in destination communities in New York City. Hypotheses are derived from the international migration literature and the market transition debate. The results are generally consistent with hypotheses derived from cumulative causation of migration; however, geographical location creates some differences in migration patterns to the United States. In China as in Mexico, the existence of migration networks increases the propensity of migration for others in the community. In contrast to the Mexican case, among Chinese immigrants, having a previously migrated household member increases the propensity of other household members to migrate only after the debt for previous migration is paid off. In step with market transition theory, the authors also find that political power influences the migration experience from the coastal Fujian Province.

Hydrogen-bonded intermediates and transition states during spontaneous and acid-catalyzed hydrolysis of the carcinogen (+)-anti-BPDE.

Science.gov (United States)

Palenik, Mark C; Rodriguez, Jorge H

2014-07-07

Understanding mechanisms of (+)-anti-BPDE detoxification is crucial for combating its mutagenic and potent carcinogenic action. However, energetic-structural correlations of reaction intermediates and transition states during detoxification via hydrolysis are poorly understood. To gain mechanistic insight we have computationally characterized intermediate and transition species associated with spontaneous and general-acid catalyzed hydrolysis of (+)-anti-BPDE. We studied the role of cacodylic acid as a proton donor in the rate limiting step. The computed activation energy (ΔG‡) is in agreement with the experimental value for hydrolysis in a sodium cacodylate buffer. Both types of, spontaneous and acid catalyzed, BPDE hydrolysis can proceed through low-entropy hydrogen bonded intermediates prior to formation of transition states whose energies determine reaction activation barriers and rates.

Defect-Tolerant Monolayer Transition Metal Dichalcogenides

DEFF Research Database (Denmark)

Pandey, Mohnish; Rasmussen, Filip Anselm; Kuhar, Korina

2016-01-01

Localized electronic states formed inside the band gap of a semiconductor due to crystal defects can be detrimental to the material's optoelectronic properties. Semiconductors with a lower tendency to form defect induced deep gap states are termed defect-tolerant. Here we provide a systematic first...... the gap. These ideas are made quantitative by introducing a descriptor that measures the degree of similarity of the conduction and valence band manifolds. Finally, the study is generalized to nonpolar nanoribbons of the TMDs where we find that only the defect sensitive materials form edge states within......-principles investigation of defect tolerance in 29 monolayer transition metal dichalcogenides (TMDs) of interest for nanoscale optoelectronics. We find that the TMDs based on group VI and X metals form deep gap states upon creation of a chalcogen (S, Se, Te) vacancy, while the TMDs based on group IV metals form only...

The aging lung. Clinical and imaging findings and the fringe of physiological state

International Nuclear Information System (INIS)

Schroeder, T.H.; Storbeck, B.; Rabe, K.F.; Weber, C.; Universitaetsklinikum Hamburg-Eppendorf, Hamburg

2015-01-01

Since aspects of demographic transition have become an essential part of socioeconomic, medical and health-care research in the last decades, it is vital for the radiologist to discriminate between normal ageing related effects and abnormal imaging findings in the elderly. This article reviews functional and structural aspects of the ageing lung and focuses on typical ageing related radiological patterns.

Phase transitions of sodium niobate powder and ceramics, prepared by solid state synthesis

Science.gov (United States)

Koruza, J.; Tellier, J.; Malič, B.; Bobnar, V.; Kosec, M.

2010-12-01

Phase transitions of sodium niobate, prepared by the solid state synthesis method, were examined using dielectric measurements, differential scanning calorimetry, and high temperature x-ray diffraction, in order to contribute to the clarification of its structural behavior below 400 °C. Four phase transitions were detected in the ceramic sample using dielectric measurements and differential scanning calorimetry and the obtained temperatures were in a good agreement with previous reports for the transitions of the P polymorph. The anomaly observed by dielectric measurements in the vicinity of 150 °C was frequency dependent and could be related to the dynamics of the ferroelectric nanoregions. The phase transitions of the as-synthesized NaNbO3 powder were investigated using differential scanning calorimetry and high temperature x-ray diffraction. The results show the existence of the Q polymorph at room temperature, not previously reported for the powder, which undergoes a transition to the R polymorph upon heating through a temperature region between 265 and 326.5 °C. This transition is mainly related to the displacement of Na into a more symmetric position and a minor change in the tilting system. The structures at room temperature, 250, 300, and 420 °C were refined by the Rietveld method and the evolution of the tilting system of the octahedral network and cationic displacement are reported.

Phase transitions of sodium niobate powder and ceramics, prepared by solid state synthesis

International Nuclear Information System (INIS)

Koruza, J.; Tellier, J.; Malic, B.; Bobnar, V.; Kosec, M.

2010-01-01

Phase transitions of sodium niobate, prepared by the solid state synthesis method, were examined using dielectric measurements, differential scanning calorimetry, and high temperature x-ray diffraction, in order to contribute to the clarification of its structural behavior below 400 deg. C. Four phase transitions were detected in the ceramic sample using dielectric measurements and differential scanning calorimetry and the obtained temperatures were in a good agreement with previous reports for the transitions of the P polymorph. The anomaly observed by dielectric measurements in the vicinity of 150 deg. C was frequency dependent and could be related to the dynamics of the ferroelectric nanoregions. The phase transitions of the as-synthesized NaNbO 3 powder were investigated using differential scanning calorimetry and high temperature x-ray diffraction. The results show the existence of the Q polymorph at room temperature, not previously reported for the powder, which undergoes a transition to the R polymorph upon heating through a temperature region between 265 and 326.5 deg. C. This transition is mainly related to the displacement of Na into a more symmetric position and a minor change in the tilting system. The structures at room temperature, 250, 300, and 420 deg. C were refined by the Rietveld method and the evolution of the tilting system of the octahedral network and cationic displacement are reported.

Phase Transitions in Sexual Populations Subject to Stabilizing Selection

Science.gov (United States)

Rogers, A.

2003-04-01

We show that a simple model of an evolving sexual population, which dates back to some of the earliest work in theoretical population genetics, exhibits an unexpected and previously unobserved phase transition between ordered and disordered states. This behavior is not present in populations evolving asexually without recombination and is thus important in any comparison of sexual and asexual populations. In order to calculate the details of the phase transition, we use techniques from statistical physics. We introduce the correlation of the population as the order parameter of the system and use maximum entropy inference to find the state of the population at any time.

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).

Thermodynamic consequences of the kinetic nature of the glass transition

Science.gov (United States)

Koperwas, Kajetan; Grzybowski, Andrzej; Tripathy, Satya N.; Masiewicz, Elzbieta; Paluch, Marian

2015-01-01

In this paper, we consider the glass transition as a kinetic process and establish one universal equation for the pressure coefficient of the glass transition temperature, dTg/dp, which is a thermodynamic characteristic of this process. Our findings challenge the common previous expectations concerning key characteristics of the transformation from the liquid to the glassy state, because it suggests that without employing an additional condition, met in the glass transition, derivation of the two independent equations for dTg/dp is not possible. Hence, the relation among the thermodynamic coefficients, which could be equivalent to the well-known Prigogine-Defay ratio for the process under consideration, cannot be obtained. Besides, by comparing the predictions of our universal equation for dTg/dp and Ehrenfest equations, we find the aforementioned supplementary restriction, which must be met to use the Prigogine-Defay ratio for the glass transition. PMID:26657017

Effects of Zb states and bottom meson loops on ϒ (4 S )→ϒ (1 S ,2 S )π+π- transitions

Science.gov (United States)

Chen, Yun-Hua; Cleven, Martin; Daub, Johanna T.; Guo, Feng-Kun; Hanhart, Christoph; Kubis, Bastian; Meißner, Ulf-G.; Zou, Bing-Song

2017-02-01

We study the dipion transitions ϒ (4 S )→ϒ (n S )π+π- (n =1 ,2 ) . In particular, we consider the effects of the two intermediate bottomoniumlike exotic states Zb(10610 ) and Zb(10650 ) as well as bottom meson loops. The strong pion-pion final-state interactions, especially including channel coupling to K K ¯ in the S wave, are taken into account model independently by using dispersion theory. Based on a nonrelativistic effective field theory we find that the contribution from the bottom meson loops is comparable to those from the chiral contact terms and the Zb-exchange terms. For the ϒ (4 S )→ϒ (2 S )π+π- decay, the result shows that including the effects of the Zb exchange and the bottom meson loops can naturally reproduce the two-hump behavior of the π π mass spectra. Future angular distribution data are decisive for the identification of different production mechanisms. For the ϒ (4 S )→ϒ (1 S )π+π- decay, we show that there is a narrow dip around 1 GeV in the π π invariant mass distribution, caused by the final-state interactions. The distribution is clearly different from that in similar transitions from lower ϒ states, and needs to be verified by future data with high statistics. Also we predict the decay width and the dikaon mass distribution of the ϒ (4 S )→ϒ (1 S )K+K- process.

Deconfining chiral transition in QCD on the lattice

International Nuclear Information System (INIS)

Kanaya, Kazuyuki

1995-01-01

The deconfining chiral transition in finite-temperature QCD is studied on the lattice using Wilson quarks. After discussing the nature of chiral limit with Wilson quarks, we first study the case of two degenerate quarks N F =2, and find that the transition is smooth in the chiral limit on both N t =4 and 6 lattices. For N F =3, on the other hand, clear two state signals are observed for m q t =4 lattices. For a more realistic case of N F =2+1, i.e. two degenerate u and d-quarks and a heavier s-quark, we study the cases m s ≅ 150 and 400 MeV with m u = m d ≅ 0: In contrast to a previous result with staggered quarks, clear two state signals are observed for both cases, suggesting a first order QCD phase transition in the real world. (author)

Low-lying electronic states of the OH radical: potential energy curves, dipole moment functions, and transition probabilities

Energy Technology Data Exchange (ETDEWEB)

Qin, X.; Zhang, S. D. [Qufu Normal University, Qufu (China)

2014-12-15

The six doublet and the two quartet electronic states ({sup 2}Σ{sup +}(2), {sup 2}Σ{sup -}, {sup 2}Π(2), {sup 2}Δ, {sup 4}Σ{sup -}, and {sup 4}Π) of the OH radical have been studied using the multi-reference configuration interaction (MRCI) method where the Davidson correction, core-valence interaction and relativistic effect are considered with large basis sets of aug-cc-pv5z, aug-cc-pcv5z, and cc-pv5z-DK, respectively. Potential energy curves (PECs) and dipole moment functions are also calculated for these states for internuclear distances ranging from 0.05 nm to 0.80 nm. All possible vibrational levels and rotational constants for the bound state X{sup 2}Π and A{sup 2}Σ{sup +} of OH are predicted by numerical solving the radial Schroedinger equation through the Level program, and spectroscopic parameters, which are in good agreements with experimental results, are obtained. Transition dipole moments between the ground state X{sup 2}Π and other excited states are also computed using MRCI, and the transition probability, lifetime, and Franck-Condon factors for the A{sup 2}Σ{sup +} - X{sup 2}Π transition are discussed and compared with existing experimental values.

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.

Theory of pure rotational transitions in doubly degenerate torsional states of ethane

Science.gov (United States)

Rosenberg, A.; Susskind, J.

1979-01-01

It is shown that pure rotational transitions in doubly degenerate torsional states of C2H6 (with selection rules Delta K = 0, plus or minus 1) are made allowed by Coriolis interaction between torsion and dipole-allowed vibrations. Expressions are presented for integrated intensities from which strengths of lines in the millimeter region can be calculated.

K-forbidden transition probabilities

International Nuclear Information System (INIS)

Saitoh, T.R.; Sletten, G.; Bark, R.A.; Hagemann, G.B.; Herskind, B.; Saitoh-Hashimoto, N.; Tsukuba Univ., Ibaraki

2000-01-01

Reduced hindrance factors of K-forbidden transitions are compiled for nuclei with A∝180 where γ-vibrational states are observed. Correlations between these reduced hindrance factors and Coriolis forces, statistical level mixing and γ-softness have been studied. It is demonstrated that the K-forbidden transition probabilities are related to γ-softness. The decay of the high-K bandheads has been studied by means of the two-state mixing, which would be induced by the γ-softness, with the use of a number of K-forbidden transitions compiled in the present work, where high-K bandheads are depopulated by both E2 and ΔI=1 transitions. The validity of the two-state mixing scheme has been examined by using the proposed identity of the B(M1)/B(E2) ratios of transitions depopulating high-K bandheads and levels of low-K bands. A break down of the identity might indicate that other levels would mediate transitions between high- and low-K states. (orig.)

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

International Nuclear Information System (INIS)

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

1986-01-01

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

Movement-related and steady-state electromyographic activity of human elbow flexors in slow transition movements between two equilibrium states.

Science.gov (United States)

Tal'nov, A N; Cherkassky, V L; Kostyukov, A I

1997-08-01

The electromyograms were recorded in healthy human subjects by surface electrodes from the mm. biceps brachii (caput longum et. brevis), brachioradialis, and triceps brachii (caput longum) during slow transition movements in elbow joint against a weak extending torque. The test movements (flexion transitions between two steady-states) were fulfilled under visual control through combining on a monitor screen a signal from a joint angle sensor with a corresponding command generated by a computer. Movement velocities ranged between 5 and 80 degrees/s, subjects were asked to move forearm without activation of elbow extensors. Surface electromyograms were full-wave rectified, filtered and averaged within sets of 10 identical tests. Amplitudes of dynamic and steady-state components of the electromyograms were determined in dependence on a final value of joint angle, slow and fast movements were compared. An exponential-like increase of dynamic component was observed in electromyograms recorded from m. biceps brachii, the component had been increased with movement velocity and with load increment. In many experiments a statistically significant decrease of static component could be noticed within middle range of joint angles (40-60 degrees) followed by a well expressed increment for larger movements. This pattern of the static component in electromyograms could vary in different experiments even in the same subjects. A steady discharge in m. brachioradialis at ramp phase has usually been recorded only under a notable load. Variable and quite often unpredictable character of the static components of the electromyograms recorded from elbow flexors in the transition movements makes it difficult to use the equilibrium point hypothesis to describe the central processes of movement. It has been assumed that during active muscle shortening the dynamic components in arriving efferent activity should play a predominant role. A simple scheme could be proposed for transition to a

Universality in exact quantum state population dynamics and control

International Nuclear Information System (INIS)

Wu, Lian-Ao; Segal, Dvira; Brumer, Paul; Egusquiza, Inigo L.

2010-01-01

We consider an exact population transition, defined as the probability of finding a state at a final time that is exactly equal to the probability of another state at the initial time. We prove that, given a Hamiltonian, there always exists a complete set of orthogonal states that can be employed as time-zero states for which this exact population transition occurs. The result is general: It holds for arbitrary systems, arbitrary pairs of initial and final states, and for any time interval. The proposition is illustrated with several analytic models. In particular, we demonstrate that in some cases, by tuning the control parameters, a complete transition might occur, where a target state, vacant at t=0, is fully populated at time τ.

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

Effect of non-stationary accretion on spectral state transitions: An example of a persistent neutron star LMXB 4U1636–536

Science.gov (United States)

Zhang, Hui; Yu, Wen-Fei

2018-03-01

Observations of black hole and neutron star X-ray binaries show that the luminosity of the hard-to-soft state transition is usually higher than that of the soft-to-hard state transition, indicating additional parameters other than mass accretion rate are required to interpret spectral state transitions. It has been found in some individual black hole or neutron star soft X-ray transients that the luminosity corresponding to the hard-to-soft state transition is positively correlated with the peak luminosity of the following soft state. In this work, we report the discovery of the same correlation in the single persistent neutron star low mass X-ray binary (LMXB) 4U 1636–536 based on data from the All Sky Monitor (ASM) on board RXTE, the Gas Slit Camera (GSC) on board MAXI and the Burst Alert Telescope (BAT) on board Swift. We also found such a positive correlation holds in this persistent neutron star LMXB in a luminosity range spanning about a factor of four. Our results indicate that non-stationary accretion also plays an important role in driving X-ray spectral state transitions in persistent accreting systems with small accretion flares, which is much less dramatic compared with the bright outbursts seen in many Galactic LMXB transients.

Experimental scaling law for the subcritical transition to turbulence in plane Poiseuille flow.

Science.gov (United States)

Lemoult, Grégoire; Aider, Jean-Luc; Wesfreid, José Eduardo

2012-02-01

We present an experimental study of the transition to turbulence in a plane Poiseuille flow. Using a well-controlled perturbation, we analyze the flow by using extensive particle image velocimetry and flow visualization (using laser-induced fluorescence) measurements, and use the deformation of the mean velocity profile as a criterion to characterize the state of the flow. From a large parametric study, four different states are defined, depending on the values of the Reynolds number and the amplitude of the perturbation. We discuss the role of coherent structures, such as hairpin vortices, in the transition. We find that the minimal amplitude of the perturbation triggering transition scales asymptotically as Re(-1).

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

Anomalous structural transition of confined hard squares.

Science.gov (United States)

Gurin, Péter; Varga, Szabolcs; Odriozola, Gerardo

2016-11-01

Structural transitions are examined in quasi-one-dimensional systems of freely rotating hard squares, which are confined between two parallel walls. We find two competing phases: one is a fluid where the squares have two sides parallel to the walls, while the second one is a solidlike structure with a zigzag arrangement of the squares. Using transfer matrix method we show that the configuration space consists of subspaces of fluidlike and solidlike phases, which are connected with low probability microstates of mixed structures. The existence of these connecting states makes the thermodynamic quantities continuous and precludes the possibility of a true phase transition. However, thermodynamic functions indicate strong tendency for the phase transition and our replica exchange Monte Carlo simulation study detects several important markers of the first order phase transition. The distinction of a phase transition from a structural change is practically impossible with simulations and experiments in such systems like the confined hard squares.

Quantum-enhanced spectroscopy with entangled multiphoton states

Science.gov (United States)

Dinani, Hossein T.; Gupta, Manish K.; Dowling, Jonathan P.; Berry, Dominic W.

2016-06-01

Traditionally, spectroscopy is performed by examining the position of absorption lines. However, at frequencies near the transition frequency, additional information can be obtained from the phase shift. In this work we consider the information about the transition frequency obtained from both the absorption and the phase shift, as quantified by the Fisher information in an interferometric measurement. We examine the use of multiple single-photon states, NOON states, and numerically optimized states that are entangled and have multiple photons. We find the optimized states that improve over the standard quantum limit set by independent single photons for some atom number densities.

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.

An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions.

Science.gov (United States)

Greene, Samuel M; Shan, Xiao; Clary, David C

2016-02-28

We investigate which terms in Reduced-Dimensionality Semiclassical Transition State Theory (RD SCTST) contribute most significantly in rate constant calculations of hydrogen extraction and exchange reactions of hydrocarbons. We also investigate the importance of deep tunneling corrections to the theory. In addition, we introduce a novel formulation of the theory in Jacobi coordinates. For the reactions of H atoms with methane, ethane, and cyclopropane, we find that a one-dimensional (1-D) version of the theory without deep tunneling corrections compares well with 2-D SCTST results and accurate quantum scattering results. For the "heavy-light-heavy" H atom exchange reaction between CH3 and CH4, deep tunneling corrections are needed to yield 1-D results that compare well with 2-D results. The finding that accurate rate constants can be obtained from derivatives of the potential along only one dimension further validates RD SCTST as a computationally efficient yet accurate rate constant theory.

Glauber amplitudes for transitions from low lying states in hydrogen atom by charged particle impact

Energy Technology Data Exchange (ETDEWEB)

Kumar, S; Srivastava, M K [Roorkee Univ. (India). Dept. of Physics

1977-07-01

The Glauber amplitudes for the general transition nlm ..-->.. n'1'm' in charged particle - hydrogen atom collisions have been obtained in the form of a one-dimensional integral. The final expression involves only a few hypergeometric functions if n is not too large and is particularly suited to study excitation to highly excited states from a low lying state.

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...

Relationship Transitions and the Risk for Child Maltreatment.

Science.gov (United States)

Schneider, William

2016-12-01

Family structure as a risk for child maltreatment has long been viewed as a static state in the child maltreatment literature. Drawing on data from the Fragile Families and Child Wellbeing Study, the author uses a series of individual fixed-effects models to investigate whether particular types of relationship transitions over children's first decade of life are associated with increased risk for maternal and paternal child abuse and maternal neglect. Findings question and confirm a number of long-standing theoretical and empirical findings from the child maltreatment literature. Results indicate that transitions to being single are associated with increased risk for maternal child abuse and neglect. In addition, the frequency and severity of paternal harsh parenting may be closely linked with the nature of fathers' relationship transitions. Last, results largely do not provide support for the theory that the presence of social (nonbiological) fathers increases mothers' risk for engaging in child abuse or neglect.

Coal Transition in the United States. An historical case study for the project 'Coal Transitions: Research and Dialogue on the Future of Coal'

International Nuclear Information System (INIS)

Kok, Irem

2017-01-01

This is one of the 6 country case-studies commissioned to collect experience on past coal transitions. The 6 countries are: Czech Republic, the Netherlands, Poland, Spain, UK, USA. Their role in the Coal Transitions project was to provide background information for a Synthesis Report for decision makers, and provide general lessons for national project teams to take into account in developing their coal transitions pathways for the future. Over the past decade, the US started to cut down the production and the use of coal, which was affected by unfavorable market dynamics and changing federal regulatory environment. Even before the shale gas revolution and uptake of renewables diminish the use of coal in power generation, coal communities were struggling to meet ends. The regional cost differences between producing states, such as the Appalachian and the Powder River Basins, indicates that coal-impacted communities and workers have lived through the impacts of coal transition at varying magnitudes and time periods. In the period between 2014 and 2016, we have seen the crash of major US coal companies due to declining demand for US coal domestically and internationally. Furthermore, Obama administration's climate change policies negatively impacted coal-fired power plants with additional GHG emission requirements, contributing to declining domestic demand for coal. Combined with market downturn, US coal producers already struggle to pay for high operational costs and legal liabilities under bankruptcy conditions. With under-funded state budgets, coal states are also grappling with financial exposure resulting from pension, health care and reclamation liabilities of bankrupt coal companies. In 2016, former President Obama announced the Power Plus Plan to aid coal-impacted communities and workers to prepare for a low carbon future. The federal budget plan targeted diversification of local economies, funding of health and pension funds of miners and retraining for

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.)

Quantum phase transitions in random XY spin chains

International Nuclear Information System (INIS)

Bunder, J.E.; McKenzie, R.H.

2000-01-01

Full text: The XY spin chain in a transverse field is one of the simplest quantum spin models. It is a reasonable model for heavy fermion materials such as CeCu 6-x Au x . It has two quantum phase transitions: the Ising transition and the anisotropic transition. Quantum phase transitions occur at zero temperature. We are investigating what effect the introduction of randomness has on these quantum phase transitions. Disordered systems which undergo quantum phase transitions can exhibit new universality classes. The universality class of a phase transition is defined by the set of critical exponents. In a random system with quantum phase transitions we can observe Griffiths-McCoy singularities. Such singularities are observed in regions which have no long range order, so they are not classified as critical regions, yet they display phenomena normally associated with critical points, such as a diverging susceptibility. Griffiths-McCoy phases are due to rare regions with stronger than! average interactions and may be present far from the quantum critical point. We show how the random XY spin chain may be mapped onto a random Dirac equation. This allows us to calculate the density of states without making any approximations. From the density of states we can describe the conditions which should allow a Griffiths-McCoy phase. We find that for the Ising transition the dynamic critical exponent, z, is not universal. It is proportional to the disorder strength and inversely proportional to the energy gap, hence z becomes infinite at the critical point where the energy gap vanishes

Transition state region in the A-Band photodissociation of allyl iodide—A femtosecond extreme ultraviolet transient absorption study

Energy Technology Data Exchange (ETDEWEB)

Bhattacherjee, Aditi, E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu; Attar, Andrew R., E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Leone, Stephen R., E-mail: srl@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States)

2016-03-28

Femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy based on a high-harmonic generation source is used to study the 266 nm induced A-band photodissociation dynamics of allyl iodide (CH{sub 2} =CHCH{sub 2}I). The photolysis of the C—I bond at this wavelength produces iodine atoms both in the ground ({sup 2}P{sub 3/2}, I) and spin-orbit excited ({sup 2}P{sub 1/2}, I*) states, with the latter as the predominant channel. Using XUV absorption at the iodine N{sub 4/5} edge (45–60 eV), the experiments constitute a direct probe of not only the long-lived atomic iodine reaction products but also the fleeting transition state region of the repulsive n{sub I}σ{sup ∗}{sub C—I} excited states. Specifically, three distinct features are identified in the XUV transient absorption spectrum at 45.3 eV, 47.4 eV, and 48.4 eV (denoted transients A, B, and C, respectively), which arise from the repulsive valence-excited nσ{sup ∗} states and project onto the high-lying core-excited states of the dissociating molecule via excitation of 4d(I) core electrons. Transients A and B originate from 4d(I) → n(I) core-to-valence transitions, whereas transient C is best assigned to a 4d(I) →σ{sup ∗}(C—I) transition. The measured differential absorbance of these new features along with the I/I* branching ratios known from the literature is used to suggest a more definitive assignment, albeit provisional, of the transients to specific dissociative states within the A-band manifold. The transients are found to peak around 55 fs–65 fs and decay completely by 145 fs–185 fs, demonstrating the ability of XUV spectroscopy to map the evolution of reactants into products in real time. The similarity in the energies of transients A and B with analogous features observed in methyl iodide [Attar et al. J. Phys. Chem. Lett. 6, 5072, (2015)] together with the new observation of transient C in the present work provides a more complete picture of the valence electronic

The problem of phase transitions in statistical mechanics

International Nuclear Information System (INIS)

Martynov, Georgii A

1999-01-01

The first part of this review deals with the single-phase approach to the statistical theory of phase transitions. This approach is based on the assumption that a first-order phase transition is due to the loss of stability of the parent phase. We demonstrate that it is practically impossible to find the coordinates of the transition points using this criterion in the framework of the global Gibbs theory which describes the state of the entire macroscopic system. On the basis of the Ornstein-Zernike equation we formulate a local approach that analyzes the state of matter inside the correlation sphere of radius R c ∼ 10 A. This approach is proved to be as rigorous as the Gibbs theory. In the context of the local approach we formulate a criterion that allows finding the transition points without calculating the chemical potential and the pressure of the second conjugate phase. In the second part of the review we consider second-order phase transitions (critical phenomena). The Kadanoff-Wilson theory of critical phenomena is analyzed, based on the global Gibbs approach. Again we use the Ornstein-Zernike equation to formulate a local theory of critical phenomena. With regard to experimentally established quantities this theory yields precisely the same results as the Kadanoff-Wilson theory; secondly, the local approach allows the prediction of many previously unknown details of critical phenomena, and thirdly, the local approach paves the way for constructing a unified theory of liquids that will describe the behavior of matter not only in the regular domain of the phase diagram, but also at the critical point and in its vicinity. (reviews of topical problems)

A MECHANISM FOR HYSTERESIS IN BLACK HOLE BINARY STATE TRANSITIONS

International Nuclear Information System (INIS)

Begelman, Mitchell C.; Armitage, Philip J.

2014-01-01

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

Efficient Computation of Transition State Resonances and Reaction Rates from a Quantum Normal Form

NARCIS (Netherlands)

Schubert, Roman; Waalkens, Holger; Wiggins, Stephen

2006-01-01

A quantum version of a recent formulation of transition state theory in phase space is presented. The theory developed provides an algorithm to compute quantum reaction rates and the associated Gamov-Siegert resonances with very high accuracy. The algorithm is especially efficient for

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 Phase Transition of Higher Dimensional Charged Black Holes

International Nuclear Information System (INIS)

Li, Huaifan; Zhao, Ren; Zhang, Lichun; Guo, Xiongying

2016-01-01

We have studied phase transitions of higher dimensional charge black hole with spherical symmetry. We calculated the local energy and local temperature and find that these state parameters satisfy the first law of thermodynamics. We analyze the critical behavior of black hole thermodynamic system by taking state parameters (Q,Φ) of black hole thermodynamic system, in accordance with considering the state parameters (P,V) of van der Waals system, respectively. We obtain the critical point of black hole thermodynamic system and find that the critical point is independent of the dual independent variables we selected. This result for asymptotically flat space is consistent with that for AdS spacetime and is intrinsic property of black hole thermodynamic system.

Interaction between extended and localized electronic states in the region of the metal to insulator transition in semiconductor alloys

Energy Technology Data Exchange (ETDEWEB)

Teubert, Joerg

2008-07-01

the influence of magnetic donors or acceptors on the metal-insulator transition. However, as it will be shown, there exists an extremely interesting doping regime close to the metal-insulator transition where localized states of magnetic impurities can dramatically alter the transport properties. This work tries to shed some light on this topic by comparing magnetic InSb:Mn and non-magnetic InSb:Ge which reveal distinct differences in their electric resistivity near the metal-insulator transition and by presenting a model that is able to explain the unusual experimental findings. (orig.)

Interaction between extended and localized electronic states in the region of the metal to insulator transition in semiconductor alloys

International Nuclear Information System (INIS)

Teubert, Joerg

2008-01-01

the influence of magnetic donors or acceptors on the metal-insulator transition. However, as it will be shown, there exists an extremely interesting doping regime close to the metal-insulator transition where localized states of magnetic impurities can dramatically alter the transport properties. This work tries to shed some light on this topic by comparing magnetic InSb:Mn and non-magnetic InSb:Ge which reveal distinct differences in their electric resistivity near the metal-insulator transition and by presenting a model that is able to explain the unusual experimental findings. (orig.)

Interictal to Ictal Phase Transition in a Small-World Network

Science.gov (United States)

Nemzer, Louis; Cravens, Gary; Worth, Robert

Real-time detection and prediction of seizures in patients with epilepsy is essential for rapid intervention. Here, we perform a full Hodgkin-Huxley calculation using n 50 in silico neurons configured in a small-world network topology to generate simulated EEG signals. The connectivity matrix, constructed using a Watts-Strogatz algorithm, admits randomized or deterministic entries. We find that situations corresponding to interictal (non-seizure) and ictal (seizure) states are separated by a phase transition that can be influenced by congenital channelopathies, anticonvulsant drugs, and connectome plasticity. The interictal phase exhibits scale-free phenomena, as characterized by a power law form of the spectral power density, while the ictal state suffers from pathological synchronization. We compare the results with intracranial EEG data and show how these findings may be used to detect or even predict seizure onset. Along with the balance of excitatory and inhibitory factors, the network topology plays a large role in determining the overall characteristics of brain activity. We have developed a new platform for testing the conditions that contribute to the phase transition between non-seizure and seizure states.

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.

Inhibition and Structure of Trichomonas vaginalis Purine Nucleoside Phosphorylase with Picomolar Transition State Analogues

Energy Technology Data Exchange (ETDEWEB)

Rinaldo-Matthis,A.; Wing, C.; Ghanem, M.; Deng, H.; Wu, P.; Gupta, A.; Tyler, P.; Evans, G.; Furneaux, R.; et al.

2007-01-01

Trichomonas vaginalis is a parasitic protozoan purine auxotroph possessing a unique purine salvage pathway consisting of a bacterial type purine nucleoside phosphorylase (PNP) and a purine nucleoside kinase. Thus, T. vaginalis PNP (TvPNP) functions in the reverse direction relative to the PNPs in other organisms. Immucillin-A (ImmA) and DADMe-Immucillin-A (DADMe-ImmA) are transition stte mimics of adenosine with geometric and electrostatic features that resemble early and late transition states of adenosine at the transition state stabilized by TvPNP. ImmA demonstrates slow-onset tight-binding inhibition with TvPNP, to give an equilibrium dissociation constant of 87 pM, an inhibitor release half-time of 17.2 min, and a K{sub m}/K{sub d} ratio of 70,100. DADMe-ImmA resembles a late ribooxacarbenium ion transition state for TvPNP to give a dissociation constant of 30 pM, an inhibitor release half-time of 64 min, and a K{sub m}/K{sub d} ratio of 203,300. The tight binding of DADMe-ImmA supports a late S{sub N}1 transition state. Despite their tight binding to TvPNP, ImmA and DADMe-ImmA are weak inhibitors of human and P. falciparum PNPs. The crystal structures of the TvPNP-ImmA{center_dot}PO{sub 4} and TvPNP{center_dot}DADMe-ImmA{center_dot}PO{sub 4} ternary complexes differ from previous structures with substrate anologues. The tight binding with DADMe-ImmA is in part due to a 2.7 {angstrom} ionic interaction between a PO{sub 4} oxygen and the N1 cation of the hydroxypyrrolidine and is weaker in the TvPNP{center_dot}ImmA{center_dot}PO{sub 4} structure at 3.5 {angstrom}. However, the TvPNP{center_dot}ImmA{center_dot}PO{sub 4} structure includes hydrogen bonds between the 2'-hydroxyl and the protein that are not present in TvPNP{center_dot}DADMe-ImmA{center_dot}PO{sub 4}. These structures explain why DADMe-ImmA binds tighter than ImmA. Immucillin-H is a 12 nM inhibitor of TvPNP but a 56 pM inhibitor of human PNP. And this difference is explained by isotope

Weyl Semimetal to Metal Phase Transitions Driven by Quasiperiodic Potentials

Science.gov (United States)

Pixley, J. H.; Wilson, Justin H.; Huse, David A.; Gopalakrishnan, Sarang

2018-05-01

We explore the stability of three-dimensional Weyl and Dirac semimetals subject to quasiperiodic potentials. We present numerical evidence that the semimetal is stable for weak quasiperiodic potentials, despite being unstable for weak random potentials. As the quasiperiodic potential strength increases, the semimetal transitions to a metal, then to an "inverted" semimetal, and then finally to a metal again. The semimetal and metal are distinguished by the density of states at the Weyl point, as well as by level statistics, transport, and the momentum-space structure of eigenstates near the Weyl point. The critical properties of the transitions in quasiperiodic systems differ from those in random systems: we do not find a clear critical scaling regime in energy; instead, at the quasiperiodic transitions, the density of states appears to jump abruptly (and discontinuously to within our resolution).

Direct measurement of the low temperature spin state transitions in La1-xSrxCoO3 (0.05 < x < 0.3)

Science.gov (United States)

Gulec, A.; Klie, R. F.

2014-12-01

Sr-doped LaCoO3 has a complex magnetic phase diagram, which is believed to be directly correlated to changes in the crystal structure and ordering of the Co3+ spin states. In this work, we study the low temperature Co3+-ion spin state transitions in Sr-doped LaCoO3 around the critical doping concentration where a metal to insulator transition has been observed using electron energy-loss spectroscopy of the O K-edge combined with the Co L-edge fine structure. We measure the local spin state of the Co3+-ions and we demonstrate that the Co3+ spin-state transition only occurs in La0.95Sr0.05CoO3 single-crystal materials in the temperature range accessible by LN2 in-situ cooling, while no structural symmetry change is observed. The presence of this low-temperature spin-state transition in La1-xSrxCoO3 (x < 0.17) has been proposed as the origin of the percolative magnetic ordering in doped LaCoO3.

Comparison of 3D Classical Trajectory and Transition-State Theory Reaction Cross Sections

Science.gov (United States)

Koeppl, G. W.; Karplus, Martin

1970-10-01

Although there is excellent agreement for a system such as H+H{sub 2} --> H{sub 2}+H, in which both the potential and the particle masses are symmetric, significant deviations occur for more asymmetric reactions. A detailed analysis show that the calculated differences are from the violation of two assumptions of transition-state theory.

Bound states of quarks and gluons and hadronic transitions

International Nuclear Information System (INIS)

Castro, Antonio Soares de.

1990-05-01

A potential which incorporates the concepts of confinement and asymptotic freedom, previously utilized in the description of the spectroscopy of mesons and baryons, is extended to the gluon sector. The mass spectroscopy of glueballs and hybrids is analyzed considering only pairwise potentials and massive constituent gluons. The mass spectrum of the color octet two-gluon system is adopted as a suitable description of the intermediate states of hadronic transitions, within the framework of the multipole expansion for quantum chromodynamics. The spin-dependent effects in the gluonium spectrum, associated with the Coulombian potential, are calculated through the inverted first Born approximation for the gluon-gluon scattering. (author). 102 refs, 1 fig, 13 tabs

Driving spin transition at interface: Role of adsorption configurations

Science.gov (United States)

Zhang, Yachao

2018-01-01

A clear insight into the electrical manipulation of molecular spins at interface is crucial to the design of molecule-based spintronic devices. Here we report on the electrically driven spin transition in manganocene physisorbed on a metallic surface in two different adsorption configurations predicted by ab initio techniques, including a Hubbard-U correction at the manganese site and accounting for the long-range van der Waals interactions. We show that the application of an electric field at the interface induces a high-spin to low-spin transition in the flat-lying manganocene, while it could hardly alter the high-spin ground state of the standing-up molecule. This phenomenon cannot be explained by either the molecule-metal charge transfer or the local electron correlation effects. We demonstrate a linear dependence of the intra-molecular spin-state splitting on the energy difference between crystal-field splitting and on-site Coulomb repulsion. After considering the molecule-surface binding energy shifts upon spin transition, we reproduce the obtained spin-state energetics. We find that the configuration-dependent responses of the spin-transition originate from the binding energy shifts instead of the variation of the local ligand field. Through these analyses, we obtain an intuitive understanding of the effects of molecule-surface contact on spin-crossover under electrical bias.

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

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)

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.

Antidiabetic Theory of Superconducting State Transition: Phonons and Strong Electron Correlations the Old Physics and New Aspects

International Nuclear Information System (INIS)

Banacky, P.

2010-01-01

Complex electronic ground state of molecular and solid state system is analyzed on the ab initio level beyond the adiabatic Born-Oppenheimer approximation (BOA). The attention is focused on the band structure fluctuation (BSF) at Fermi level, which is induced by electron-phonon coupling in superconductors, and which is absent in the non-superconducting analogues. The BSF in superconductors results in breakdown of the adiabatic BOA. At these circumstances, chemical potential is substantially reduced and system is stabilized (effect of nuclear dynamics) in the anti adiabatic state at broken symmetry with a gap(s) in one-particle spectrum. Distorted nuclear structure has fluxional character and geometric degeneracy of the anti adiabatic ground state enables formation of mobile bipolarons in real space. It has been shown that an effective attractive e-e interaction (Cooper-pair formation) is in fact correction to electron correlation energy at transition from adiabatic into anti adiabatic ground electronic state. In this respect, Cooper-pair formation is not the primary reason for transition into superconducting state, but it is a consequence of anti adiabatic state formation. It has been shown that thermodynamic properties of system in anti adiabatic state correspond to thermodynamics of superconducting state. Illustrative application of the theory for different types of superconductors is presented.

The Astrophysical Weeds: Rotational Transitions in Excited Vibrational States

Science.gov (United States)

Alonso, José L.; Kolesniková, Lucie; Alonso, Elena R.; Mata, Santiago

2017-06-01

The number of unidentified lines in the millimeter and submillimeter wave surveys of the interstellar medium has grown rapidly. The major contributions are due to rotational transitions in excited vibrational states of a relatively few molecules that are called the astrophysical weeds. necessary data to deal with spectral lines from astrophysical weeds species can be obtained from detailed laboratory rotational measurements in the microwave and millimeter wave region. A general procedure is being used at Valladolid combining different time and/or frequency domain spectroscopic tools of varying importance for providing the precise set of spectroscopic constants that could be used to search for this species in the ISM. This is illustrated in the present contribution through its application to several significant examples. Fortman, S. M., Medvedev, I. R., Neese, C.F., & De Lucia, F.C. 2010, ApJ,725, 1682 Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile, L. Kolesniková, E. R. Alonso, S. Mata, and J. L. Alonso, The Astrophysical Journal Supplement Series 2017, (in press).

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

On matrix stabilisation of d- and f-transition metal ions in unstable oxidation states

Energy Technology Data Exchange (ETDEWEB)

Kiselev, Yurii M [Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow (Russian Federation)

2009-01-31

The state-of-the-art in matrix stabilisation of d- and f-transition metal ions in unstable oxidation states is analysed. Main aspects of this problem concerning the genealogy of appropriate matrix systems are classified. Relevant examples are given and the data that contradict the scheme proposed are discussed. The thermodynamics of the matrix stabilisation effect is considered using the concept of isomorphic miscibility. The influence of defects and non-equilibrium on the matrix stabilisation effect is discussed. The problem of identification of the oxidation states in matrix systems is examined and various types of matrix systems are considered.

On matrix stabilisation of d- and f-transition metal ions in unstable oxidation states

International Nuclear Information System (INIS)

Kiselev, Yurii M

2009-01-01

The state-of-the-art in matrix stabilisation of d- and f-transition metal ions in unstable oxidation states is analysed. Main aspects of this problem concerning the genealogy of appropriate matrix systems are classified. Relevant examples are given and the data that contradict the scheme proposed are discussed. The thermodynamics of the matrix stabilisation effect is considered using the concept of isomorphic miscibility. The influence of defects and non-equilibrium on the matrix stabilisation effect is discussed. The problem of identification of the oxidation states in matrix systems is examined and various types of matrix systems are considered.

Superconducting states and depinning transitions of Josephson ladders

International Nuclear Information System (INIS)

Barahona, M.; Strogatz, S.H.; Orlando, T.P.

1998-01-01

We present analytical and numerical studies of pinned superconducting states of open-ended Josephson ladder arrays, neglecting inductances but taking edge effects into account. Treating the edge effects perturbatively, we find analytical approximations for three of these superconducting states emdash the no-vortex, fully frustrated, and single-vortex states emdash as functions of the dc bias current I and the frustration f. Bifurcation theory is used to derive formulas for the depinning currents and critical frustrations at which the superconducting states disappear or lose dynamical stability as I and f are varied. These results are combined to yield a zero-temperature stability diagram of the system with respect to I and f. To highlight the effects of the edges, we compare this dynamical stability diagram to the thermodynamic phase diagram for the infinite system where edges have been neglected. We briefly indicate how to extend our methods to include self-inductances. copyright 1998 The American Physical Society

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.

The hadron to quark/gluon transition

International Nuclear Information System (INIS)

Brown, G.E.; Bethe, H.A.; Pizzochero, P.M.

1991-01-01

In this paper we are concerned with the hadron to quark/gluon transition. We describe the equilibrium states of hadronic matter by a Hagedorn spectrum; introducing scaling masses, as dictated by the restoration of chiral invariance with increasing temperature, we show that in the chiral SU(2) f limit there is a maximum hadron temperature (T H ) max ≅ 128 MeV. Since the quark/gluon perturbative phase involves restoration of conformal invariance, we take the bag constant to be the conformal anomaly, i.e. the gluon condensate. The stability condition P QG > 0 for the pressure requires that there is a minimum temperature; we find (T QG ) min ≅ 172 MeV for SU(2) f . According to the simple Hagedorn model, there appears to be a region of temperature between (T H ) max and (T QG ) min in which no admissible equilibrium states exist. Since the two phases cannot exist at a common temperature, in this model there is no QCD phase transition. (orig.)

Negative thermal expansion near two structural quantum phase transitions

Energy Technology Data Exchange (ETDEWEB)

Occhialini, Connor A.; Handunkanda, Sahan U.; Said, Ayman; Trivedi, Sudhir; Guzmán-Verri, G. G.; Hancock, Jason N.

2017-12-01

Recent experimental work has revealed that the unusually strong, isotropic structural negative thermal expansion in cubic perovskite ionic insulator ScF3 occurs in excited states above a ground state tuned very near a structural quantum phase transition, posing a question of fundamental interest as to whether this special circumstance is related to the anomalous behavior. To test this hypothesis, we report an elastic and inelastic x-ray scattering study of a second system Hg2I2 also tuned near a structural quantum phase transition while retaining stoichiometric composition and high crystallinity. We find similar behavior and significant negative thermal expansion below 100 K for dimensions along the body-centered-tetragonal c axis, bolstering the connection between negative thermal expansion and zero-temperature structural transitions.We identify the common traits between these systems and propose a set of materials design principles that can guide discovery of newmaterials exhibiting negative thermal expansion

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.

Characterizing quantum phase transition by teleportation

Science.gov (United States)

Wu, Meng-He; Ling, Yi; Shu, Fu-Wen; Gan, Wen-Cong

2018-04-01

In this paper we provide a novel way to explore the relation between quantum teleportation and quantum phase transition. We construct a quantum channel with a mixed state which is made from one dimensional quantum Ising chain with infinite length, and then consider the teleportation with the use of entangled Werner states as input qubits. The fidelity as a figure of merit to measure how well the quantum state is transferred is studied numerically. Remarkably we find the first-order derivative of the fidelity with respect to the parameter in quantum Ising chain exhibits a logarithmic divergence at the quantum critical point. The implications of this phenomenon and possible applications are also briefly discussed.

ANALYSIS OF DEFORMED STATE STRUCTURES OF THE KYIV METRO RUNNING TUNNELS ON A TRANSITION ZONE FROM SPONDYLOV’S CLAY TO BUCHATSKIY SANDS

Directory of Open Access Journals (Sweden)

V. D. Petrenko

2014-07-01

Full Text Available Purpose. In the section of changes geotechnical conditions of spondylov’s clay to buchatskiy sands may have significant structural deformation of running tunnels. It is necessary to identify the cause of deformities develop ways to minimize and based modeling and calculations to prove the effectiveness of measures to reduce deformation.Methodology. To solve the analysis problem of the stress-strain state (SSS of the system «structure array» it was conducted the numerical simulation using the finite element method (FEM. On the basis of the obtained results the graphs were constructed and the dependencies were determined. Findings. The presence of weak water-saturated soils in tray of the tunnel on an area of transition from spondylov’s clay to buchatskiy sand causes significant increasing in strain construction of tunnels and general vibration liquefaction in soil basis. Also change the physical and mechanical characteristics of soils within the frames of tunnels influences on the level of strain state of most frames. Improved strain state settings of tunnels in areas of change soil characteristics of the array (especially at the bottom of casing can be achieved by chemical consolidation of weak soils. Composition of solutions for fixing the weak soils should be determined based on the study of grain size, porosity, and other parameters of physical and mechanical and physical and chemical characteristics of soils.Originality.The basic cause significant strain on transition zone from spondylov’s clay to buchatskiy sands is found, that is explained by saturated phenomenon vibration liquefaction basis under the tunnel.Practical value.The approaches to reduce the strain in the construction of running tunnels in the transition zone from spondylov’s clay to buchatskiy sands are developed, as well as in the area ofthe station «Glybochytska»the Kyiv Metro.

Price Elasticity of Demand and Capacity-Restraint Transit Fare Strategy: A Case Study of Bangkok Mass Transit System

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Ackchai Sirikijpanichkul

2015-01-01

Full Text Available Traffic congestion is a chronic problem of Bangkok. Similar to other metropolises, the city perpetually seeks for alternatives to road travel. Mass rapid transit seems to be the only way out that is expected to mitigate traffic congestion in the city. However, without common fare system, travelers need to pay an initial entrance fee every time they enter each transit system. This excess cost tapers the demand and affects the efficient use of the system. This research investigates the influence of fare price on transit use which is measured by price elasticity of demand and proposes the optimum fare price if the common fare is used. The analysis is based on the findings from the stated preference survey techniques. Finally, the conclusion on fare level that encourage more patronage, maintain service quality and operator revenue is addressed.

Extreme UV observation of 3-3 transitions of niobium in near neon-like charge states

Energy Technology Data Exchange (ETDEWEB)

Buchet-Poulizac, M.C. E-mail: marie-claude.buchet-poulizac@lasim.univ-lyon1.fr; Cassimi, A.; Cremer, G.; Grandin, J.-P.; Hennecart, D.; Husson, X.; Jacquet, E.; Wyart, J.-F

2003-05-01

The emission spectra of highly ionised niobium ions generated by beam-foil excitation in the range 7-21 nm show most 3-3 transitions belonging to the neon-like ions and neighbouring Na-, Mg- and F- sequences. Wavelengths have been determined in reference to {delta}n=1 transitions between Rydberg states. Line identification have been made by comparison to extra- or interpolation of wavenumbers along isoelectronic sequences when data were available and to ab initio atomic structure calculations, using either a Cowan code or a fully relativistic parametric code for Ne- and F-sequences.

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.

Anomalies in the coil-stretch transition of flexible polymers

Science.gov (United States)

Ghosal, Aishani; Cherayil, Binny J.

2018-03-01

The flow-induced coil-stretch transition of high molecular weight polymers has generally been held to be of first order. But evidence of significant slowing down in the rate at which the polymers relax to equilibrium in the vicinity of the transition suggests that the thermodynamic character of the transition may be less clear-cut. The above slowing down effect is actually characteristic of a second-order transition, and it points to the existence of a broad spectrum of conformational states in the transition region, analogous to the existence of fluctuations of all length scales at a critical point. In this paper, using a path integral approach based on a free-draining finitely extensible chain model, we calculate various polymer properties as a function of elongational flow as a way of exploring different statistical mechanical details of the coil-stretch transition. These properties include the molecular weight dependence of the flow-extension curve of the polymer, the distribution of its steady-state end-to-end distances, and the characteristic relaxation time τR of these distances. Among other findings, our calculations indicate that the coil-stretch transition is discontinuous in the N → ∞ limit, that the effective free energy of the chain is unimodal at all values of the flow, becoming broad and flat in the immediate vicinity of the transition, and that the ratio of τR to the Rouse relaxation time increases abruptly at the transition before eventually reaching a plateau value at large flow strengths. These aspects of the coil-stretch transition place it among a larger class of unconventional nominally first-order single chain transitions that include the adsorption transition of surface-tethered polymers and the escape transition of compressed polymers.

Electromechanical phase transition of a dielectric elastomer tube under internal pressure of constant mass

Directory of Open Access Journals (Sweden)

Song Che

2017-05-01

Full Text Available The electromechanical phase transition for a dielectric elastomer (DE tube has been demonstrated in recent experiments, where it is found that the unbulged phase gradually changed into bulged phase. Previous theoretical works only studied the transition process under pressure control condition, which is not consistent with the real experimental condition. This paper focuses on more complex features of the electromechanical phase transition under internal pressure of constant mass. We derive the equilibrium equations and the condition for coexistent states for a DE tube under an internal pressure, a voltage through the thickness and an axial force. We find that under mass control condition the voltage needed to maintain the phase transition increases as the process proceeds. We analyze the entire process of electromechanical phase transition and find that the evolution of configurations is also different from that for pressure control condition.

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.

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

High Pressure ZZ-Exchange NMR Reveals Key Features of Protein Folding Transition States.

Science.gov (United States)

Zhang, Yi; Kitazawa, Soichiro; Peran, Ivan; Stenzoski, Natalie; McCallum, Scott A; Raleigh, Daniel P; Royer, Catherine A

2016-11-23

Understanding protein folding mechanisms and their sequence dependence requires the determination of residue-specific apparent kinetic rate constants for the folding and unfolding reactions. Conventional two-dimensional NMR, such as HSQC experiments, can provide residue-specific information for proteins. However, folding is generally too fast for such experiments. ZZ-exchange NMR spectroscopy allows determination of folding and unfolding rates on much faster time scales, yet even this regime is not fast enough for many protein folding reactions. The application of high hydrostatic pressure slows folding by orders of magnitude due to positive activation volumes for the folding reaction. We combined high pressure perturbation with ZZ-exchange spectroscopy on two autonomously folding protein domains derived from the ribosomal protein, L9. We obtained residue-specific apparent rates at 2500 bar for the N-terminal domain of L9 (NTL9), and rates at atmospheric pressure for a mutant of the C-terminal domain (CTL9) from pressure dependent ZZ-exchange measurements. Our results revealed that NTL9 folding is almost perfectly two-state, while small deviations from two-state behavior were observed for CTL9. Both domains exhibited large positive activation volumes for folding. The volumetric properties of these domains reveal that their transition states contain most of the internal solvent excluded voids that are found in the hydrophobic cores of the respective native states. These results demonstrate that by coupling it with high pressure, ZZ-exchange can be extended to investigate a large number of protein conformational transitions.

Response to work transitions by United States Army personnel: effects of self-esteem, self-efficacy, and career resilience.

Science.gov (United States)

Gowan, M A; Craft, S L; Zimmermann, R A

2000-06-01

This paper examined association of self-esteem, self-efficacy, and career resilience with the responses of 171 United States Army personnel making the transition to civilian jobs. Specifically, the study addresses whether personality traits are related to the appraisal of the transition from Army to civilian life and to how individuals plan to manage the transition to yield employment success. Self-esteem, self-efficacy, and career resilience were the personality variables examined. Only self-esteem and career resilience were related to harm appraisals of the transition. None of the personality variables were related to use of coping strategies. Limitations of the study and suggestions for research are provided.

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

Finding Feminism, Finding Voice? Mobilising Community Education to Build Women's Participation in Myanmar's Political Transition

Science.gov (United States)

Maber, Elizabeth Jane Tregoning

2016-01-01

This paper explores the role played by women activists and educators in mobilising community education to support new opportunities for women's activism in the context of Myanmar's political transition. Recent political reorientations in Myanmar which have resulted in a civilian-led democracy emerging from a repressive military regime, have…

Gastric transit and small intestinal transit time and motility assessed by a magnet tracking system.

Science.gov (United States)

Worsøe, Jonas; Fynne, Lotte; Gregersen, Tine; Schlageter, Vincent; Christensen, Lisbet A; Dahlerup, Jens F; Rijkhoff, Nico J M; Laurberg, Søren; Krogh, Klaus

2011-12-29

Tracking an ingested magnet by the Magnet Tracking System MTS-1 (Motilis, Lausanne, Switzerland) is an easy and minimally-invasive method to assess gastrointestinal transit. The aim was to test the validity of MTS-1 for assessment of gastric transit time and small intestinal transit time, and to illustrate transit patterns detected by the system. A small magnet was ingested and tracked by an external matrix of 16 magnetic field sensors (4 × 4) giving a position defined by 5 coordinates (position: x, y, z, and angle: θ, φ). Eight healthy subjects were each investigated three times: (1) with a small magnet mounted on a capsule endoscope (PillCam); (2) with the magnet alone and the small intestine in the fasting state; and (3) with the magnet alone and the small intestine in the postprandial state. Experiment (1) showed good agreement and no systematic differences between MTS-1 and capsule endoscopy when assessing gastric transit (median difference 1 min; range: 0-6 min) and small intestinal transit time (median difference 0.5 min; range: 0-52 min). Comparing experiments (1) and (2) there were no systematic differences in gastric transit or small intestinal transit when using the magnet-PillCam unit and the much smaller magnetic pill. In experiments (2) and (3), short bursts of very fast movements lasting less than 5% of the time accounted for more than half the distance covered during the first two hours in the small intestine, irrespective of whether the small intestine was in the fasting or postprandial state. The mean contraction frequency in the small intestine was significantly lower in the fasting state than in the postprandial state (9.90 min-1 vs. 10.53 min-1) (p = 0.03). MTS-1 is reliable for determination of gastric transit and small intestinal transit time. It is possible to distinguish between the mean contraction frequency of small intestine in the fasting state and in the postprandial state.

Gastric transit and small intestinal transit time and motility assessed by a magnet tracking system

Directory of Open Access Journals (Sweden)

WorsØe Jonas

2011-12-01

Full Text Available Abstract Background Tracking an ingested magnet by the Magnet Tracking System MTS-1 (Motilis, Lausanne, Switzerland is an easy and minimally-invasive method to assess gastrointestinal transit. The aim was to test the validity of MTS-1 for assessment of gastric transit time and small intestinal transit time, and to illustrate transit patterns detected by the system. Methods A small magnet was ingested and tracked by an external matrix of 16 magnetic field sensors (4 × 4 giving a position defined by 5 coordinates (position: x, y, z, and angle: θ, ϕ. Eight healthy subjects were each investigated three times: (1 with a small magnet mounted on a capsule endoscope (PillCam; (2 with the magnet alone and the small intestine in the fasting state; and (3 with the magnet alone and the small intestine in the postprandial state. Results Experiment (1 showed good agreement and no systematic differences between MTS-1 and capsule endoscopy when assessing gastric transit (median difference 1 min; range: 0-6 min and small intestinal transit time (median difference 0.5 min; range: 0-52 min. Comparing experiments (1 and (2 there were no systematic differences in gastric transit or small intestinal transit when using the magnet-PillCam unit and the much smaller magnetic pill. In experiments (2 and (3, short bursts of very fast movements lasting less than 5% of the time accounted for more than half the distance covered during the first two hours in the small intestine, irrespective of whether the small intestine was in the fasting or postprandial state. The mean contraction frequency in the small intestine was significantly lower in the fasting state than in the postprandial state (9.90 min-1 vs. 10.53 min-1 (p = 0.03. Conclusion MTS-1 is reliable for determination of gastric transit and small intestinal transit time. It is possible to distinguish between the mean contraction frequency of small intestine in the fasting state and in the postprandial state.

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...

Formal Valence, 3 d Occupation, and Charge Ordering Transitions

Science.gov (United States)

Pickett, Warren

2014-03-01

The metal-insulator transition (MIT), discovered by Verwey in the late 1930s, has been thought to be one of the best understood of MITs, the other ones being named after Wigner, Peierls, Mott, and Anderson. Continuing work on these transitions finds in some cases less and less charge to order, raising the fundamental question of just where the entropy is coming from, and just what is ordering. To provide insight into the mechanism of charge-ordering transitions, which conventionally are pictured as a disproportionation, I will (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new theoretical results for the rare earth nickelates (viz. YNiO3), the putative charge ordering compound AgNiO2, and the dual charge state insulator AgO, and (3) analyze cationic occupations of actual (not formal) charge, and work to reconcile the conundrums that arise. Several of the clearest cases of charge ordering transitions involve no disproportion; moreover, the experimental data used to support charge ordering can be accounted for within density functional based calculations that contain no charge transfer The challenge of modeling charge ordering transitions with model Hamiltonians will be discussed. Acknowledgment: Y. Quan, V. Pardo. Supported by NSF award DMR-1207622-0.

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

Branching ratios of radiative transitions in O VI

International Nuclear Information System (INIS)

Sur, Chiranjib; Chaudhuri, Rajat K

2007-01-01

We study the branching ratios of the allowed and forbidden radiative transitions among the first few (9) fine structure levels of O VI using relativistic coupled-cluster theory. We find irregular patterns for a number of transitions within n-complexes with n ≤ 4. We have used the existing values of the allowed electric dipole (E1) transition as a benchmark of our theory. Good agreement with the existing values establish accuracies of not only the theoretical method but the basis function as well. In general, the electric quadrupole (E2) transition probabilities are greater in magnitude than magnetic dipole (M1) transition probabilities, whereas for medium atomic transition frequencies they are of the same order of magnitude. On the other hand, if the transitions involved are in between two fine-structure components of the same term, then the M1 transition probability is more probable than that of E2. The results presented here in tabular and graphical form are compared with the available theoretical and observed data. Graphical analysis helps to understand the trends of electric and magnetic transitions for the decay channels presented here. Our calculated values of the lifetimes of the excited states are in very good agreement with the available results

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.

Matrix elements of intraband transitions in quantum dot intermediate band solar cells: the influence of quantum dot presence on the extended-state electron wave-functions

International Nuclear Information System (INIS)

Nozawa, Tomohiro; Arakawa, Yasuhiko

2014-01-01

The intraband transitions which are essential for quantum dot intermediate band solar cells (QD IBSCs) are theoretically investigated by estimating the matrix elements from a ground bound state, which is often regarded as an intermediate band (IB), to conduction band (CB) states for a structure with a quantum dot (QD) embedded in a matrix (a QD/matrix structure). We have found that the QD pushes away the electron envelope functions (probability densities) from the QD region in almost all quantum states above the matrix CB minimum. As a result, the matrix elements of the intraband transitions in the QD/matrix structure are largely reduced, compared to those calculated assuming the envelope functions of free electrons (i.e., plane-wave envelope functions) in a matrix structure as the final states of the intraband transitions. The result indicates the strong influence of the QD itself on the intraband transitions from the IB to the CB states in QD IBSC devices. This work will help in better understanding the problem of the intraband transitions and give new insight, that is, engineering of quantum states is indispensable for the realization of QD IBSCs with high solar energy conversion efficiencies. (paper)

Low to High Spin-State Transition Induced by Charge Ordering in Antiferromagnetic YBaCo2O5

International Nuclear Information System (INIS)

Vogt, T.; Woodward, P. M.; Karen, P.; Hunter, B. A.; Henning, P.; Moodenbaugh, A. R.

2000-01-01

The oxygen-deficient double perovskite YBaCo 2 O 5 , containing corner-linked CoO 5 square pyramids as principal building units, undergoes a paramagnetic to antiferromagnetic spin ordering at 330 K. This is accompanied by a tetragonal to orthorhombic distortion. Below 220 K orbital ordering and long-range Co 2+ /Co 3+ charge ordering occur as well as a change in the Co 2+ spin state from low to high spin. This transition is shown to be very sensitive to the oxygen content of the sample. To our knowledge this is the first observation of a spin-state transition induced by long-range orbital and charge ordering. (c) 2000 The American Physical Society

Transition-state analysis of a Vmax mutant of AMP nucleosidase by the application of heavy-atom kinetic isotope effects

International Nuclear Information System (INIS)

Parkin, D.W.; Mentch, F.; Banks, G.A.; Horenstein, B.A.; Schramm, V.L.

1991-01-01

The transition state of the V max mutant of AMP nucleosidase from Azotobacter vinelandii has been characterized by heavy-atom kinetic isotope effects in the presence and absence of MgATP, the allosteric activator. The enzyme catalyzes hydrolysis of the N-glycosidic bond of AMP at approximately 2% of the rate of the normal enzyme with only minor changes in the K m for substrate, the activation constant for MgATP, and the K i for formycin 5'-phosphate, a tight-binding competitive inhibitor. Isotope effects were measured as a function of the allosteric activator concentration that increases the turnover number of the enzyme from 0.006 s -1 . The kinetic isotope effects were measured with the substrates [1'- 3 H]AMP, [2'- 2 H]AMP, [9- 15 N]AMP, and [1',9- 14 C, 15 N]AMP. All substrates gave significant kinetic isotope effects in a pattern that establishes that the reaction expresses intrinsic kinetic isotope effects in the presence or absence of MgATP. Transition-state analysis using bond-energy and bond-order vibrational analysis indicated that the transition state for the mutant enzyme has a similar position in the reaction coordinate compared to that for the normal enzyme. The mutant enzyme is less effective in stabilizing the carbocation-like intermediate and in the ability to protonate N7 of adenine to create a better leaving group. This altered transition-state structure was confirmed by an altered substrate specificity for the mutant protein

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...

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations.

Science.gov (United States)

Morales, Miguel A; Pierleoni, Carlo; Schwegler, Eric; Ceperley, D M

2010-07-20

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivity molecular state and a high conductivity atomic state. Using the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures near 2,000 K and pressures near 120 GPa. Furthermore, we have determined the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using quantum Monte Carlo energetics.

Ab initio molecular dynamics study of pressure-induced phase transition in ZnS

International Nuclear Information System (INIS)

Martinez, Israel; Durandurdu, Murat

2006-01-01

The pressure-induced phase transition in zinc sulfide is studied using a constant-pressure ab initio technique. The reversible phase transition from the zinc-blende structure to a rock-salt structure is successfully reproduced through the simulations. The transformation mechanism at the atomistic level is characterized and found to be due to a monoclinic modification of the simulation cell, similar to that obtained in SiC. This observation supports the universal transition state of high-pressure zinc-blende to rock-salt transition in semiconductor compounds. We also study the role of stress deviations on the transformation mechanism and find that the system follows the same transition pathway under nonhydrostatic compressions as well

Transition and Students with Mild Intellectual Disability: Findings From the National Longitudinal Transition Study-2

Science.gov (United States)

Bouck, Emily C.; Joshi, Gauri S.

2016-01-01

Students with intellectual disability historically struggle with post-school outcomes. However, much of the research on students with intellectual disability relative to post-school outcomes and transition services is aggregated for students with mild, moderate, and severe intellectual disability. This secondary analysis of the National…

Transit-oriented development: an examination of America's transit precincts in 2000 & 2010.

Science.gov (United States)

2013-06-01

This study creates a typology of all fixed transit precincts across the United States to categorize all stations as either a Transit Oriented Development (TOD), Transit Adjacent Development (TAD) or hybrid. This typology is based on an index that acc...

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.

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.

Public Transit Stations

Data.gov (United States)

Department of Homeland Security — fixed rail transit stations within the Continental United States, Alaska, Hawaii, the District of Columbia, and Puerto Rico. The modes of transit that are serviced...

Optical transitions involving unconfined energy states in In/sub x/Ga/sub 1-//sub x/As/GaAs multiple quantum wells

International Nuclear Information System (INIS)

Ji, G.; Dobbelaere, W.; Huang, D.; Morkoc, H.

1989-01-01

Optical transitions with energies higher than that of the GaAs band gap in highly strained In/sub x/Ga/sub 1-//sub x/As/GaAs multiple--quantum-well structures have been observed in photoreflectance spectra. In some samples as many as seven such structures were present. We identify them as transitions between the unconfined electron states and the confined heavy-hole states. For energies below the GaAs signal, intense transitions corresponding to such unconfined electron subbands were also observed. The intensity of the transitions involving unconfined electron subbands decreases with increasing well width, but is weakly dependent on the mole fraction x. The transmission coefficients are calculated in order to locate the positions of the unconfined electron subband energies. Good agreement is obtained between the experimental data and the theoretical calculation

Characterization of pH-sensitive molecular switches that trigger the structural transition of vesicular stomatitis virus glycoprotein from the postfusion state toward the prefusion state.

Science.gov (United States)

Ferlin, Anna; Raux, Hélène; Baquero, Eduard; Lepault, Jean; Gaudin, Yves

2014-11-01

Vesicular stomatitis virus (VSV; the prototype rhabdovirus) fusion is triggered at low pH and mediated by glycoprotein G, which undergoes a low-pH-induced structural transition. A unique feature of rhabdovirus G is that its conformational change is reversible. This allows G to recover its native prefusion state at the viral surface after its transport through the acidic Golgi compartments. The crystal structures of G pre- and postfusion states have been elucidated, leading to the identification of several acidic amino acid residues, clustered in the postfusion trimer, as potential pH-sensitive switches controlling the transition back toward the prefusion state. We mutated these residues and produced a panel of single and double mutants whose fusion properties, conformational change characteristics, and ability to pseudotype a virus lacking the glycoprotein gene were assayed. Some of these mutations were also introduced in the genome of recombinant viruses which were further characterized. We show that D268, located in the segment consisting of residues 264 to 273, which refolds into postfusion helix F during G structural transition, is the major pH sensor while D274, D395, and D393 have additional contributions. Furthermore, a single passage of recombinant virus bearing the mutation D268L (which was demonstrated to stabilize the G postfusion state) resulted in a pseudorevertant with a compensatory second mutation, L271P. This revealed that the propensity of the segment of residues 264 to 273 to refold into helix F has to be finely tuned since either an increase (mutation D268L alone) or a decrease (mutation L271P alone) of this propensity is detrimental to the virus. Vesicular stomatitis virus enters cells via endocytosis. Endosome acidification induces a structural transition of its unique glycoprotein (G), which mediates fusion between viral and endosomal membranes. G conformational change is reversible upon increases in pH. This allows G to recover its native

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

Topological phase transition in anisotropic square-octagon lattice with spin-orbit coupling and exchange field

Science.gov (United States)

Yang, Yuan; Yang, Jian; Li, Xiaobing; Zhao, Yue

2018-03-01

We investigate the topological phase transitions in an anisotropic square-octagon lattice in the presence of spin-orbit coupling and exchange field. On the basis of the Chern number and spin Chern number, we find a number of topologically distinct phases with tuning the exchange field, including time-reversal-symmetry-broken quantum spin Hall phases, quantum anomalous Hall phases and a topologically trivial phase. Particularly, we observe a coexistent state of both the quantum spin Hall effect and quantum anomalous Hall effect. Besides, by adjusting the exchange filed, we find the phase transition from time-reversal-symmetry-broken quantum spin Hall phase to spin-imbalanced and spin-polarized quantum anomalous Hall phases, providing an opportunity for quantum spin manipulation. The bulk band gap closes when topological phase transitions occur between different topological phases. Furthermore, the energy and spin spectra of the edge states corresponding to different topological phases are consistent with the topological characterization based on the Chern and spin Chern numbers.

Using a State-and-Transition Approach to Manage Endangered Eucalyptus albens (White Box) Woodlands

Science.gov (United States)

Spooner, Peter G.; Allcock, Kimberly G.

2006-11-01

Eucalyptus albens (White Box) woodlands are among the most poorly conserved and threatened communities in Australia. Remnants are under further threat from stock grazing, deteriorating soil conditions, weed invasion, and salinity. There is an urgent need to restore degraded White Box and other woodland ecosystems to improve landscape function. However, there is still a poor understanding of the ecology of degraded woodland ecosystems in fragmented agricultural landscapes, and consequently a lack of precise scientific guidelines to manage these ecosystems in a conservation context. State and Transition Models (STMs) have received a great deal of attention, mainly in rangeland applications, as a suitable framework for understanding the ecology of complex ecosystems and to guide management. We have developed a STM for endangered White Box woodlands and discuss the merits of using this approach for land managers of other endangered ecosystems. An STM approach provides a greater understanding of the range of states, transitions, and thresholds possible in an ecosystem, and provides a summary of processes driving the system. Importantly, our proposed STM could be used to clarify the level of “intactness” of degraded White Box woodland sites, and provide the impetus to manage different states in complementary ways, rather than attempting to restore ecosystems to one pristine stable state. We suggest that this approach has considerable potential to integrate researcher and land manager knowledge, focus future experimental studies, and ultimately serve as a decision support tool in setting realistic and achievable conservation and restoration goals.

Quantum phase transition with dissipative frustration

Science.gov (United States)

Maile, D.; Andergassen, S.; Belzig, W.; Rastelli, G.

2018-04-01

We study the quantum phase transition of the one-dimensional phase model in the presence of dissipative frustration, provided by an interaction of the system with the environment through two noncommuting operators. Such a model can be realized in Josephson junction chains with shunt resistances and resistances between the chain and the ground. Using a self-consistent harmonic approximation, we determine the phase diagram at zero temperature which exhibits a quantum phase transition between an ordered phase, corresponding to the superconducting state, and a disordered phase, corresponding to the insulating state with localized superconducting charge. Interestingly, we find that the critical line separating the two phases has a nonmonotonic behavior as a function of the dissipative coupling strength. This result is a consequence of the frustration between (i) one dissipative coupling that quenches the quantum phase fluctuations favoring the ordered phase and (ii) one that quenches the quantum momentum (charge) fluctuations leading to a vanishing phase coherence. Moreover, within the self-consistent harmonic approximation, we analyze the dissipation induced crossover between a first and second order phase transition, showing that quantum frustration increases the range in which the phase transition is second order. The nonmonotonic behavior is reflected also in the purity of the system that quantifies the degree of correlation between the system and the environment, and in the logarithmic negativity as an entanglement measure that encodes the internal quantum correlations in the chain.

Peak shifts due to B(*)-B(*) rescattering in Υ(5S) dipion transitions

International Nuclear Information System (INIS)

Meng Ce; Chao Kuangta

2008-01-01

We study the energy distributions of dipion transitions Υ(5S) to Υ(1S,2S,3S)π + π - in the final-state rescattering model. Since the Υ(5S) is well above the open bottom thresholds, the dipion transitions are expected to mainly proceed through the real processes Υ(5S)→B ( * ) B ( * ) and B ( * ) B ( * ) →Υ(1S,2S,3S)π + π - . We find that the energy distributions of Υ(1S,2S,3S)π + π - markedly differ from that of Υ(5S)→B ( * ) B ( * ) . In particular, the resonance peak will be pushed up by about 7-20 MeV for these dipion transitions relative to the main hadronic decay modes. These predictions can be used to test the final-state rescattering mechanism in hadronic transitions for heavy quarkonia above the open flavor thresholds.

Dimension changing phase transitions in instanton crystals

International Nuclear Information System (INIS)

Kaplunovsky, Vadim; Sonnenschein, Jacob

2014-01-01

We investigate lattices of instantons and the dimension-changing transitions between them. Our ultimate goal is the 3D→4D transition, which is holographically dual to the phase transition between the baryonic and the quarkyonic phases of cold nuclear matter. However, in this paper (just as in http://dx.doi.org/10.1007/JHEP11(2012)047) we focus on lower dimensions — the 1D lattice of instantons in a harmonic potential V∝M 2 2 x 2 2 +M 3 2 x 2 2 +M 4 2 x 4 2 , and the zigzag-shaped lattice as a first stage of the 1D→2D transition. We prove that in the low- and moderate-density regimes, interactions between the instantons are dominated by two-body forces. This drastically simplifies finding the ground state of the instantons’ orientations, so we made a numeric scan of the whole orientation space instead of assuming any particular ansatz. We find that depending on the M 2 /M 3 /M 4 ratios, the ground state of instanton orientations can follow a wide variety of patterns. For the straight 1D lattices, we found orientations periodically running over elements of a ℤ 2 , Klein, prismatic, or dihedral subgroup of the SU(2)/ℤ 2 , as well as irrational but link-periodic patterns. For the zigzag-shaped lattices, we detected 4 distinct orientation phases — the anti-ferromagnet, another abelian phase, and two non-abelian phases. Allowing the zigzag amplitude to vary as a function of increasing compression force, we obtained the phase diagrams for the straight and zigzag-shaped lattices in the (force,M 3 /M 4 ), (chemical potential,M 3 /M 4 ), and (density,M 3 /M 4 ) planes. Some of the transitions between these phases are second-order while others are first-order. Our techniques can be applied to other types of non-abelian crystals

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)

Autopsy findings in sickle cell disease patients in Lagos State ...

African Journals Online (AJOL)

Autopsy findings in sickle cell disease patients in Lagos State University Teaching Hospital, Ikeja, Lagos, Nigeria. ... The study showed that the most common cause of sudden death was anemia-related (50%) while 21% were due to acute infections, 18.4 % were due to cardiovascular events and 4.6% were due to ...

MARKETING PLANNING: STATE OF THE ARTIN A TRANSITIONAL ECONOMY

Directory of Open Access Journals (Sweden)

Tamara Jovanov Marjanova

2014-07-01

Full Text Available This paper is provoked by the distorted marketing practices of companies that operate in a transitional economy, specifically Republic of Macedonia.The analysis has two main purposes: 1. to identify the weaknesses in the marketing planning process, 2. to prove the connection of continuous formal marketing planning with business performance, i.e.profitability and market share. Datawasobtainedfromprimary and secondaryresearch. Primary research was conducted in the food, i.e. confectionery industry, with two techniques – survey and interview with the managers of 38% of the registered companies in the industry. Secondary research was based onbooks, journals, web-cites.The analysiswasexecutedwith IBM SPSS 19. Conclusionsare provided through descriptive and deductive statistical analysis. The findings show that the companies have multiple weaknesses in the marketing planning process (continuous formal marketing planning occurs rarely, there is lack of knowledge regarding the systematic planning process and a tendency of misuse of analytical tools. Additionally, a connection and dependence of business performance on continuous formal marketing planning was found. Limitations arise from the sample size and the (one chosen industry sector. However, there are evident practical and social implicationswhich can contribute to better competitiveness:possibilities for correction of current practices and development of a systematic marketing planning process. This research is of a great value on a national level because it is one of few that analyzes this subject through primary data. Also, the results can be consulted by researchers and practitioners from other transitional economies.

Photo-induced charge-transfer phase transition of rubidium manganese hexacyanoferrate in ferromagnetic and paramagnetic states

International Nuclear Information System (INIS)

Tokoro, Hiroko; Hashimoto, Kazuhito; Ohkoshi, Shin-ichi

2007-01-01

A charge transfer phase transition with thermal hysteresis loop is observed in a series of rubidium manganese hexacyanoferrates, RbMn[Fe(China) 6 ] (1), Rb 0.88 Mn[Fe(China) 6 ] 0.96 .0.6H 2 O (2), and Rb 0.97 Mn[Fe(China) 6 ] 0.99 .0.2H 2 O (3). This phase transition is accompanied by a structural change from cubic (F4-bar 3m) to tetragonal (I4-bar m2). Its high-temperature (HT) and low-temperature (LT) phases are composed of Mn II (S=2/5)NC-Fe III (S=1/2) and Mn III (S=2)-NC-Fe II (S=0), respectively. The phase transition is caused by a metal-to-metal charge transfer from Mn II to Fe III and a Jahn-Teller distortion of the produced Mn III ion. At the ferromagnetic state in LT phase of 2, the photo-induced phase transition is observed, i.e., magnetization is quenched by the irradiation with only one shot of laser pulse. This phenomenon is caused by a photo-induced phase transition from the LT phase to the HT phase. In 3, optical switching between LT and HT phases at room temperature in paramagnetic region is observed

Atomic final-state effects in nuclear transitions

International Nuclear Information System (INIS)

Griffiths, A.; Vogel, P.

1991-01-01

The interaction of a nuclear gamma radiation with the atomic electron cloud gives rise to a phase shift in the nuclear electromagnetic transition amplitude. The resulting interference parameters ξ(πL) are of significance to the analysis of time-reversal experiments. We calculate these parameters for E1, E2, E3, M1, and M2 gamma transitions in a number of nuclei. We also discuss the implication of these results for simultaneous parity- and time-reversal-violating experiments

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.

State and Federal project development procedures for bus rapid transit : managing differences and reducing implementation delays

Science.gov (United States)

2011-08-01

This report documents an investigation into the transportation project development process in the : context of the implementation of bus rapid transit systems on the State Highway System as well as such : systems being part of the Federal New Starts ...

An Investigation of the Academic Information Finding and Re-finding Behavior on the Web

Directory of Open Access Journals (Sweden)

Hsiao-Tieh Pu

2014-12-01

Full Text Available Academic researchers often need and re-use relevant information found after a period of time. This preliminary study used various methods, including experiments, interviews, search log analysis, sequential analysis, and observation to investigate characteristics of academic information finding and re-finding behavior. Overall, the participants in this study entered short queries either in finding or re-finding phases. Comparatively speaking, the participants entered greater number of queries, modified more queries, browsed more web pages, and stayed longer on web pages in the finding phase. On the other hand, in the re-finding phase, they utilized personal information management tools to re-find instead of finding again using search engine, such as checking browsing history; moreover, they tend to input less number of queries and stayed shorter on web pages. In short, the participants interacted more with the retrieval system during the finding phase, while they increased the use of personal information management tools in the re-finding phase. As to the contextual clues used in re-finding phase, the participants used less clues from the target itself, instead, they used indirect clues more often, especially location-related information. Based on the results of sequential analysis, the transition states in the re-finding phase was found to be more complex than those in the finding phase. Web information finding and re-finding behavior is an important and novel area of research. The preliminary results would benefit research on Web information re-finding behavior, and provide useful suggestions for developing personal academic information management systems. [Article content in Chinese

Immigration transition and depressive symptoms: four major ethnic groups of midlife women in the United States.

Science.gov (United States)

Im, Eun-Ok; Chang, Sun Ju; Chee, Wonshik; Chee, Eunice; Mao, Jun James

2015-01-01

The purpose of this study was to explore the relationships between immigration transition and depressive symptoms among 1,054 midlife women in the United States. This was a secondary analysis of the data from two national Internet survey studies. Questions on background characteristics and immigration transition and the Depression Index for Midlife Women were used to collect the data. The data were analyzed using inferential statistics including multiple regressions. Immigrants reported lower numbers of symptoms and less severe symptoms than nonimmigrants (p immigration status were significant predictors of depressive symptoms (R(2) =.01, p <.05).

Electronic phase transitions

CERN Document Server

Kopaev, YuV

1992-01-01

Electronic Phase Transitions deals with topics, which are presently at the forefront of scientific research in modern solid-state theory. Anderson localization, which has fundamental implications in many areas of solid-state physics as well as spin glasses, with its influence on quite different research activities such as neural networks, are two examples that are reviewed in this book. The ab initio statistical mechanics of structural phase transitions is another prime example, where the interplay and connection of two unrelated disciplines of solid-state theory - first principle ele

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...

Labor market transitions of immigrants with emphasis on marginalization and self-employment

DEFF Research Database (Denmark)

Blume, Kræn; Ejrnæs, Mette; Nielsen, Helena Skyt

2009-01-01

In developed countries, immigrants are more likely to be nonemployed and self-employed compared to natives. Based on register data of male immigrants in Denmark, we performed a detailed investigation of the immigrant-native difference in transition patterns across labor market states. We find...

Role of relativity in high-pressure phase transitions of thallium.

Science.gov (United States)

Kotmool, Komsilp; Chakraborty, Sudip; Bovornratanaraks, Thiti; Ahuja, Rajeev

2017-02-20

We demonstrate the relativistic effects in high-pressure phase transitions of heavy element thallium. The known first phase transition from h.c.p. to f.c.c. is initially investigated by various relativistic levels and exchange-correlation functionals as implemented in FPLO method, as well as scalar relativistic scheme within PAW formalism. The electronic structure calculations are interpreted from the perspective of energetic stability and electronic density of states. The full relativistic scheme (FR) within L(S)DA performs to be the scheme that resembles mostly with experimental results with a transition pressure of 3 GPa. The s-p hybridization and the valence-core overlapping of 6s and 5d states are the primary reasons behind the f.c.c. phase occurrence. A recent proposed phase, i.e., a body-centered tetragonal (b.c.t.) phase, is confirmed with a small distortion from the f.c.c. phase. We have also predicted a reversible b.c.t. → f.c.c. phase transition at 800 GPa. This finding has been suggested that almost all the III-A elements (Ga, In and Tl) exhibit the b.c.t. → f.c.c. phase transition at extremely high pressure.

A parallel attractor-finding algorithm based on Boolean satisfiability for genetic regulatory networks.

Directory of Open Access Journals (Sweden)

Wensheng Guo

Full Text Available In biological systems, the dynamic analysis method has gained increasing attention in the past decade. The Boolean network is the most common model of a genetic regulatory network. The interactions of activation and inhibition in the genetic regulatory network are modeled as a set of functions of the Boolean network, while the state transitions in the Boolean network reflect the dynamic property of a genetic regulatory network. A difficult problem for state transition analysis is the finding of attractors. In this paper, we modeled the genetic regulatory network as a Boolean network and proposed a solving algorithm to tackle the attractor finding problem. In the proposed algorithm, we partitioned the Boolean network into several blocks consisting of the strongly connected components according to their gradients, and defined the connection between blocks as decision node. Based on the solutions calculated on the decision nodes and using a satisfiability solving algorithm, we identified the attractors in the state transition graph of each block. The proposed algorithm is benchmarked on a variety of genetic regulatory networks. Compared with existing algorithms, it achieved similar performance on small test cases, and outperformed it on larger and more complex ones, which happens to be the trend of the modern genetic regulatory network. Furthermore, while the existing satisfiability-based algorithms cannot be parallelized due to their inherent algorithm design, the proposed algorithm exhibits a good scalability on parallel computing architectures.

Controlled quantum evolutions and transitions

Energy Technology Data Exchange (ETDEWEB)

Petroni, Nicola Cufaro [INFN Sezione di Bari, INFM Unitadi Bari and Dipartimento Interateneo di Fisica dell' Universitae del Politecnico di Bari, Bari (Italy); De Martino, Salvatore; De Siena, Silvio; Illuminati, Fabrizio [INFM Unitadi Salerno, INFN Sezione di Napoli - Gruppo collegato di Salerno and Dipartimento di Fisica dell' Universitadi Salerno, Baronissi, Salerno (Italy)

1999-10-29

We study the nonstationary solutions of Fokker-Planck equations associated to either stationary or non stationary quantum states. In particular, we discuss the stationary states of quantum systems with singular velocity fields. We introduce a technique that allows arbitrary evolutions ruled by these equations to account for controlled quantum transitions. As a first significant application we present a detailed treatment of the transition probabilities and of the controlling time-dependent potentials associated to the transitions between the stationary, the coherent, and the squeezed states of the harmonic oscillator. (author)

The Effect of Shear Flow on the Isotropic-Nematic Transition in Liquid Crystals.

Science.gov (United States)

Olmsted, Peter David

1991-08-01

In this thesis I will discuss the effects of shear flow on the Isotropic-Nematic phase transition in liquid crystals. Shear flow has dramatic orienting effects on the rod-like constituents of nematic liquid crystals, with the general effects of (1) inducing order in the high-temperature isotropic phase, and (2) dictating a direction of alignment for the low-temperature nematic phase. Shear flow also imposes a biaxial symmetry on both the high and low temperature phases, thereby changing the nature of the symmetry-breaking at the transition. We develop coupled deterministic dynamical equations for the 5-component nematic order parameter and the fluid velocity, which may be considered generalizations of the Leslie-Ericksen and Navier-Stokes equations, respectively. We examine the stable stationary solutions to these equations to determine the nature of the non-equilibrium phases, and discuss the analogies and differences between this system and equilibrium systems. From homogeneous solutions we obtain a state diagram analogous to that of a Van der Waals fluid, including a two-state region and a discontinuous transition which terminates at a critical point. To resolve the question of the analog of the Maxwell construction to distinguish locally stable states, we construct stable inhomogeneous interfacial states. From an analysis of these states we determine a coexistence line and find exponents characterizing the shape of the coexistence curve and the interface thickness as the critical point is approached. We find mean-field critical behavior, and comment on the possibility of the analogs of spinodal decomposition and nucleation. Finally, we develop a formalism for describing light scattering from biaxial steady state, and investigate the Gaussian level fluctuations about these states. In the vicinity of the critical point we find singular behavior analogous to critical opalescence of a simple fluid at its critical point. We also find anisotropic correlations at the

Submillimeter-wave and far-infrared spectroscopy of high-J transitions of the ground and ν2 = 1 states of ammonia.

Science.gov (United States)

Yu, Shanshan; Pearson, John C; Drouin, Brian J; Sung, Keeyoon; Pirali, Olivier; Vervloet, Michel; Martin-Drumel, Marie-Aline; Endres, Christian P; Shiraishi, Tetsuro; Kobayashi, Kaori; Matsushima, Fusakazu

2010-11-07

Complete and reliable knowledge of the ammonia spectrum is needed to enable the analysis and interpretation of astrophysical and planetary observations. Ammonia has been observed in the interstellar medium up to J=18 and more highly excited transitions are expected to appear in hot exoplanets and brown dwarfs. As a result, there is considerable interest in observing and assigning the high J (rovibrational) spectrum. In this work, numerous spectroscopic techniques were employed to study its high J transitions in the ground and ν(2)=1 states. Measurements were carried out using a frequency multiplied submillimeter spectrometer at Jet Propulsion Laboratory (JPL), a tunable far-infrared spectrometer at University of Toyama, and a high-resolution Bruker IFS 125 Fourier transform spectrometer (FTS) at Synchrotron SOLEIL. Highly excited ammonia was created with a radiofrequency discharge and a dc discharge, which allowed assignments of transitions with J up to 35. One hundred and seventy seven ground state and ν(2)=1 inversion transitions were observed with microwave accuracy in the 0.3-4.7 THz region. Of these, 125 were observed for the first time, including 26 ΔK=3 transitions. Over 2000 far-infrared transitions were assigned to the ground state and ν(2)=1 inversion bands as well as the ν(2) fundamental band. Of these, 1912 were assigned using the FTS data for the first time, including 222 ΔK=3 transitions. The accuracy of these measurements has been estimated to be 0.0003-0.0006 cm(-1). A reduced root mean square error of 0.9 was obtained for a global fit of the ground and ν(2)=1 states, which includes the lines assigned in this work and all previously available microwave, terahertz, far-infrared, and mid-infrared data. The new measurements and predictions reported here will support the analyses of astronomical observations by high-resolution spectroscopy telescopes such as Herschel, SOFIA, and ALMA. The comprehensive experimental rovibrational energy levels

Optical transitions in two-dimensional topological insulators with point defects

Science.gov (United States)

Sablikov, Vladimir A.; Sukhanov, Aleksei A.

2016-12-01

Nontrivial properties of electronic states in topological insulators are inherent not only to the surface and boundary states, but to bound states localized at structure defects as well. We clarify how the unusual properties of the defect-induced bound states are manifested in optical absorption spectra in two-dimensional topological insulators. The calculations are carried out for defects with short-range potential. We find that the defects give rise to the appearance of specific features in the absorption spectrum, which are an inherent property of topological insulators. They have the form of two or three absorption peaks that are due to intracenter transitions between electron-like and hole-like bound states.

Strength distributions of electromagnetic transitions in light nuclei

International Nuclear Information System (INIS)

Kostin, V.Ya.; Koval', A.A.; Kopanets, E.G.; Tsytko, S.P.

1980-01-01

Distributions of probabilities of electromagnetic transitions from resonance levels of light nuclei with masses A=Z-40 for eight types of transition (epsilon1, epsilon2, M1, M8, isoscalar and isovector) are obtained. Recommended upper limits (RUL) of transition probabilities are determined for each type of transitions. A comparison with analogous characteristics for transitions between bound states is carried out. It has been causes found that RUL for resonance states substantially differ from RUL for transitions between bound states. Possible causes of such difference 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...

State Transition and Flaring Activity of IGR J17464-3213/H1743-322 with INTEGRAL SPI

Science.gov (United States)

Joinet, A.; Jourdain, E.; Malzac, J.; Roques, J. P.; Schönfelder, V.; Ubertini, P.; Capitanio, F.

2005-08-01

IGR J17464-3213, already known as the HEAO 1 transient source H1743-322, has been detected during a state transition by INTEGRAL SPI. We describe the spectral evolution and flaring activity of IGR J17464-3213/H1743-322 from 2003 March 21 to 2003 April 22. During the first part, the source followed a continuous spectral softening, with the peak of the spectral energy distribution shifting from 100 keV down to ~a few keV. However, the thermal disk and the hard X-ray components had a similar intensity, indicating that the source was in an intermediate state throughout our observations and evolving toward the soft state. In the second part of our observations, the RXTE ASM and INTEGRAL SPI light curves showed a strong flaring activity. Two flare events lasting about 1 day each have been detected with SPI and are probably due to instabilities in the accretion disk associated with the state transition. During these flares, the low (1.5-12 keV) and high (20-200 keV) energy fluxes monitored with the RXTE ASM and INTEGRAL SPI are correlated, and the spectral shape (above 20 keV) remains unchanged while the luminosity increases by a factor greater than 2.

Transition Complexity of Incomplete DFAs

Directory of Open Access Journals (Sweden)

Yuan Gao

2010-08-01

Full Text Available In this paper, we consider the transition complexity of regular languages based on the incomplete deterministic finite automata. A number of results on Boolean operations have been obtained. It is shown that the transition complexity results for union and complementation are very different from the state complexity results for the same operations. However, for intersection, the transition complexity result is similar to that of state complexity.

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.

Unifying Exchange Sensitivity in Transition-Metal Spin-State Ordering and Catalysis through Bond Valence Metrics.

Science.gov (United States)

Gani, Terry Z H; Kulik, Heather J

2017-11-14

Accurate predictions of spin-state ordering, reaction energetics, and barrier heights are critical for the computational discovery of open-shell transition-metal (TM) catalysts. Semilocal approximations in density functional theory, such as the generalized gradient approximation (GGA), suffer from delocalization error that causes them to overstabilize strongly bonded states. Descriptions of energetics and bonding are often improved by introducing a fraction of exact exchange (e.g., erroneous low-spin GGA ground states are instead correctly predicted as high-spin with a hybrid functional). The degree of spin-splitting sensitivity to exchange can be understood based on the chemical composition of the complex, but the effect of exchange on reaction energetics within a single spin state is less well-established. Across a number of model iron complexes, we observe strong exchange sensitivities of reaction barriers and energies that are of the same magnitude as those for spin splitting energies. We rationalize trends in both reaction and spin energetics by introducing a measure of delocalization, the bond valence of the metal-ligand bonds in each complex. The bond valence thus represents a simple-to-compute property that unifies understanding of exchange sensitivity for catalytic properties and spin-state ordering in TM complexes. Close agreement of the resulting per-metal-organic-bond sensitivity estimates, together with failure of alternative descriptors demonstrates the utility of the bond valence as a robust descriptor of how differences in metal-ligand delocalization produce differing relative energetics with exchange tuning. Our unified description explains the overall effect of exact exchange tuning on the paradigmatic two-state FeO + /CH 4 reaction that combines challenges of spin-state and reactivity predictions. This new descriptor-sensitivity relationship provides a path to quantifying how predictions in transition-metal complex screening are sensitive to the

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.

Water evaporation: a transition path sampling study.

Science.gov (United States)

Varilly, Patrick; Chandler, David

2013-02-07

We use transition path sampling to study evaporation in the SPC/E model of liquid water. On the basis of thousands of evaporation trajectories, we characterize the members of the transition state ensemble (TSE), which exhibit a liquid-vapor interface with predominantly negative mean curvature at the site of evaporation. We also find that after evaporation is complete, the distributions of translational and angular momenta of the evaporated water are Maxwellian with a temperature equal to that of the liquid. To characterize the evaporation trajectories in their entirety, we find that it suffices to project them onto just two coordinates: the distance of the evaporating molecule to the instantaneous liquid-vapor interface and the velocity of the water along the average interface normal. In this projected space, we find that the TSE is well-captured by a simple model of ballistic escape from a deep potential well, with no additional barrier to evaporation beyond the cohesive strength of the liquid. Equivalently, they are consistent with a near-unity probability for a water molecule impinging upon a liquid droplet to condense. These results agree with previous simulations and with some, but not all, recent experiments.

Cosmological phase transitions

International Nuclear Information System (INIS)

Kolb, E.W.

1987-01-01

If the universe stated from conditions of high temperature and density, there should have been a series of phase transitions associated with spontaneous symmetry breaking. The cosmological phase transitions could have observable consequences in the present Universe. Some of the consequences including the formation of topological defects and cosmological inflation are reviewed here. One of the most important tools in building particle physics models is the use of spontaneous symmetry breaking (SSB). The proposal that there are underlying symmetries of nature that are not manifest in the vacuum is a crucial link in the unification of forces. Of particular interest for cosmology is the expectation that are the high temperatures of the big bang symmetries broken today will be restored, and that there are phase transitions to the broken state. The possibility that topological defects will be produced in the transition is the subject of this section. The possibility that the Universe will undergo inflation in a phase transition will be the subject of the next section. Before discussing the creation of topological defects in the phase transition, some general aspects of high-temperature restoration of symmetry and the development of the phase transition will be reviewed. 29 references, 1 figure, 1 table

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)

Modeling for transition management

NARCIS (Netherlands)

Chappin, E.J.L.; Dijkema, G.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.

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.

Native Hydrophobic Binding Interactions at the Transition State for Association between the TAZ1 Domain of CBP and the Disordered TAD-STAT2 Are Not a Requirement.

Science.gov (United States)

Lindström, Ida; Dogan, Jakob

2017-08-15

A significant fraction of the eukaryotic proteome consists of proteins that are either partially or completely disordered under native-like conditions. Intrinsically disordered proteins (IDPs) are common in protein-protein interactions and are involved in numerous cellular processes. Although many proteins have been identified as disordered, much less is known about the binding mechanisms of the coupled binding and folding reactions involving IDPs. Here we have analyzed the rate-limiting transition state for binding between the TAZ1 domain of CREB binding protein and the intrinsically disordered transactivation domain of STAT2 (TAD-STAT2) by site-directed mutagenesis and kinetic experiments (Φ-value analysis) and found that the native protein-protein binding interface is not formed at the transition state for binding. Instead, native hydrophobic binding interactions form late, after the rate-limiting barrier has been crossed. The association rate constant in the absence of electrostatic enhancement was determined to be rather high. This is consistent with the Φ-value analysis, which showed that there are few or no obligatory native contacts. Also, linear free energy relationships clearly demonstrate that native interactions are cooperatively formed, a scenario that has usually been observed for proteins that fold according to the so-called nucleation-condensation mechanism. Thus, native hydrophobic binding interactions at the rate-limiting transition state for association between TAD-STAT2 and TAZ1 are not a requirement, which is generally in agreement with previous findings on other IDP systems and might be a common mechanism for IDPs.

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.

Resilience, Regime Shifts, and Guided Transition under Climate Change: Examining the Practical Difficulties of Managing Continually Changing Systems

Directory of Open Access Journals (Sweden)

Brenda B. Lin

2013-03-01

Full Text Available Managing terrestrial systems has become increasingly difficult under climate change as unidirectional shifts in climate conditions challenge the resilience of ecosystems to maintain their compositional structure and function. Despite the increased attention of resilience management to guide transformational change, questions remain as to how to apply resilience to manage transitions. Rather than pushing systems across thresholds into alternative states, climate change may create a stepwise progression of unknown transitional states that track changing climate conditions. Because of this uncertainty, we must find ways to guide transitioning systems across climate boundaries towards states that are socially and environmentally desirable. We propose to ease the uncertainty of managing shifting systems by providing an approach to adaptive management that we call guided transition, where socially and environmentally important ecosystem functions are preserved through transitions by considering and maintaining the species and structures needed for the desired functions. Scientifically, it will require a better understanding of the relationships between structure, species composition, and function for specific systems. Managers will also need to identify important functions at the local, regional, and national scale, and to determine how best to transition systems to a desired state based on existing scientific knowledge. Guided transition, therefore, helps guide the process of adaptive management by specifying a function-based management pathway that guides transitions through climatic changes.

Identifying quantum phase transitions with adversarial neural networks

Science.gov (United States)

Huembeli, Patrick; Dauphin, Alexandre; Wittek, Peter

2018-04-01

The identification of phases of matter is a challenging task, especially in quantum mechanics, where the complexity of the ground state appears to grow exponentially with the size of the system. Traditionally, physicists have to identify the relevant order parameters for the classification of the different phases. We here follow a radically different approach: we address this problem with a state-of-the-art deep learning technique, adversarial domain adaptation. We derive the phase diagram of the whole parameter space starting from a fixed and known subspace using unsupervised learning. This method has the advantage that the input of the algorithm can be directly the ground state without any ad hoc feature engineering. Furthermore, the dimension of the parameter space is unrestricted. More specifically, the input data set contains both labeled and unlabeled data instances. The first kind is a system that admits an accurate analytical or numerical solution, and one can recover its phase diagram. The second type is the physical system with an unknown phase diagram. Adversarial domain adaptation uses both types of data to create invariant feature extracting layers in a deep learning architecture. Once these layers are trained, we can attach an unsupervised learner to the network to find phase transitions. We show the success of this technique by applying it on several paradigmatic models: the Ising model with different temperatures, the Bose-Hubbard model, and the Su-Schrieffer-Heeger model with disorder. The method finds unknown transitions successfully and predicts transition points in close agreement with standard methods. This study opens the door to the classification of physical systems where the phase boundaries are complex such as the many-body localization problem or the Bose glass phase.

A detailed study on the transition from the blocked to the superparamagnetic state of reduction-precipitated iron oxide nanoparticles

International Nuclear Information System (INIS)

Witte, K.; Bodnar, W.; Mix, T.; Schell, N.; Fulda, G.; Woodcock, T.G.; Burkel, E.

2016-01-01

Magnetic iron oxide nanoparticles were prepared by salt-assisted solid-state chemical precipitation method with alternating fractions of the ferric iron content. The physical properties of the precipitated nanoparticles mainly consisting of magnetite were investigated by means of transmission electron microscopy, high energy X-ray diffraction, vibrating sample magnetometry and Mössbauer spectroscopy. With particle sizes ranging from 16.3 nm to 2.1 nm, a gradual transition from the blocked state to the superparamagnetic state was observed. The transition was described as a dependence of the ferric iron content used during the precipitation. Composition, mean particle size, coercivity, saturation polarisation, as well as hyperfine interaction parameters and their evolution were studied systematically over the whole series of iron oxide nanoparticles. - Highlights: • Study of superparamagnetic transition of magnetite varying ferric iron content. • Coercivity is mainly influenced by the particle size. • Saturation polarisation influenced by the goethite content and the particle size. • Number of vacancies tend to increase with increasing ferric iron content. • Fe 3 O 4 B-sites are stronger effected by the reduction of particle size than A-sites.

In-Situ Phase Transition Control in the Supercooled State for Robust Active Glass Fiber.

Science.gov (United States)

Lv, Shichao; Cao, Maoqing; Li, Chaoyu; Li, Jiang; Qiu, Jianrong; Zhou, Shifeng

2017-06-21

The construction of a dopant-activated photonic composite is of great technological importance for various applications, including smart lighting, optical amplification, laser, and optical detection. The bonding arrangement around the introduced dopants largely determines the properties, yet it remains a daunting challenge to manipulate the local state of the matrix (i.e., phase) inside the transparent composite in a controllable manner. Here we demonstrate that the relaxation of the supercooled state enables in-situ phase transition control in glass. Benefiting from the unique local atom arrangement manner, the strategy offers the possibility for simultaneously tuning the chemical environment of the incorporated dopant and engineering the dopant-host interaction. This allows us to effectively activate the dopant with high efficiency (calculated as ∼100%) and profoundly enhance the dopant-host energy-exchange interaction. Our results highlight that the in-situ phase transition control in glass may provide new opportunities for fabrication of unusual photonic materials with intense broadband emission at ∼1100 nm and development of the robust optical detection unit with high compactness and broadband photon-harvesting capability (from X-ray to ultraviolet light).