Pressure-induced fcc to hcp phase transition in Ni-based high entropy solid solution alloys

DOE PAGES

Zhang, Fuxiang; Zhao, Shijun; Jin, Ke; ...

2017-01-04

In this research, pressure-induced phase transition from the fcc to a hexagonal close-packed (hcp) structure wasfound in NiCoCrFe solid solution alloy starting at 13.5 GPa. The phase transition is very sluggish and the transition did not complete at ~ 40 GPa. The hcp structure is quenchable to ambient pressure. Only a very small amount (<5%) of hcp phase was found in the isostructural NiCoCr ternary alloy up to the pressure of 45 GPa and no obvious hcp phase was found in NiCoCrFePd system till to 74 GPa. Ab initio Gibbs free energy calculations indicated the energy differences between the fccmore » and the hcp phases for the three alloys are very small, but they are sensitive to temperature. Finally, the critical transition pressure in NiCoCrFe varies from 1 GPa at room temperature to 6 GPa at 500 K.« less

Maxwell's equal area law for black holes in power Maxwell invariant

NASA Astrophysics Data System (ADS)

Li, Huai-Fan; Guo, Xiong-ying; Zhao, Hui-Hua; Zhao, Ren

2017-08-01

In this paper, we consider the phase transition of black hole in power Maxwell invariant by means of Maxwell's equal area law. First, we review and study the analogy of nonlinear charged black hole solutions with the Van der Waals gas-liquid system in the extended phase space, and obtain isothermal P- v diagram. Then, using the Maxwell's equal area law we study the phase transition of AdS black hole with different temperatures. Finally, we extend the method to the black hole in the canonical (grand canonical) ensemble in which charge (potential) is fixed at infinity. Interestingly, we find the phase transition occurs in the both ensembles. We also study the effect of the parameters of the black hole on the two-phase coexistence. The results show that the black hole may go through a small-large phase transition similar to those of usual non-gravity thermodynamic systems.

Activity induced phase transition in mixtures of active and passive agents

NASA Astrophysics Data System (ADS)

Sinha Mahapatra, Pallab; Kulkarni, Ajinkya

2017-11-01

Collective behaviors of self-propelling agents are ubiquitous in nature that produces interesting patterns. The objective of this study is to investigate the phase transition in mixtures of active and inert agents suspended in a liquid. A modified version of the Vicsek Model has been used (see Ref.), where the particles are modeled as soft disks with finite mass, confined in a square domain. The particles are required to align their local motion to their immediate neighborhood, similar to the Vicsek model. We identified the transition from disorganized thermal-like motion to an organized vortical motion. We analyzed the nature of the transition by using different order parameters. Furthermore the switching between the phases has been investigated via artificial nucleation of randomly picked active agents spanning the entire domain. Finally the motivation for this phase transition has been explained via average dissipation and the mean square displacement (MSD) of the agents.

Quantum phase transitions in spin-1 X X Z chains with rhombic single-ion anisotropy

NASA Astrophysics Data System (ADS)

Ren, Jie; Wang, Yimin; You, Wen-Long

2018-04-01

We explore numerically the inverse participation ratios in the ground state of one-dimensional spin-1 X X Z chains with the rhombic single-ion anisotropy. By employing the techniques of density-matrix renormalization group, effects of the rhombic single-ion anisotropy on various information theoretical measures are investigated, such as the fidelity susceptibility, the quantum coherence, and the entanglement entropy. Their relations with the quantum phase transitions are also analyzed. The phase transitions from the Y -Néel phase to the large-Ex or the Haldane phase can be well characterized by the fidelity susceptibility. The second-order derivative of the ground-state energy indicates all the transitions are of second order. We also find that the quantum coherence, the entanglement entropy, the Schmidt gap, and the inverse participation ratios can be used to detect the critical points of quantum phase transitions. Results drawn from these quantum information observables agree well with each other. Finally we provide a ground-state phase diagram as functions of the exchange anisotropy Δ and the rhombic single-ion anisotropy E .

Re Doping in 2D Transition Metal Dichalcogenides as a New Route to Tailor Structural Phases and Induced Magnetism

DOE PAGES

Kochat, Vidya; Apte, Amey; Hachtel, Jordan A.; ...

2017-10-09

Alloying in 2D results in the development of new, diverse, and versatile systems with prospects in bandgap engineering, catalysis, and energy storage. Tailoring structural phase transitions using alloying is a novel idea with implications in designing all 2D device architecture as the structural phases in 2D materials such as transition metal dichalcogenides are correlated with electronic phases. In this paper, this study develops a new growth strategy employing chemical vapor deposition to grow monolayer 2D alloys of Re-doped MoSe 2 with show composition tunable structural phase variations. The compositions where the phase transition is observed agree well with the theoreticalmore » predictions for these 2D systems. Finally, it is also shown that in addition to the predicted new electronic phases, these systems also provide opportunities to study novel phenomena such as magnetism which broadens the range of their applications.« less

Dynamical phase transitions in generalized Kuramoto model with distributed Sakaguchi phase

NASA Astrophysics Data System (ADS)

Banerjee, Amitava

2017-11-01

In this numerical work, we have systematically studied the dynamical phase transitions in the Kuramoto-Sakaguchi model of synchronizing phase oscillators controlled by disorder in the Sakaguchi phases. We derive the numerical steady state phase diagrams for quenched and annealed kinds of disorder in the Sakaguchi parameters, using the conventional order parameter and other such statistical quantities as strength of incoherence and discontinuity measures. We have also considered the correlation profile of the local order parameter fluctuations in the various phases identified. The phase diagrams for quenched disorder are qualitatively much different from those in the global coupling regime. The order of various transitions is confirmed by a study of the distribution of the order parameter and its fourth order Binder’s cumulant across the transition for an ensemble of initial distribution of phases. For the annealed type of disorder, in contrast to the case with quenched disorder, the system is almost insensitive to the amount of disorder. We also elucidate the role of chimeralike states in the synchronizing transition of the system, and study the effect of disorder on these states. Finally, we seek justification of our results from simulations guided by the Ott-Antonsen ansatz.

Phase transition in tumor growth: I avascular development

NASA Astrophysics Data System (ADS)

Izquierdo-Kulich, E.; Rebelo, I.; Tejera, E.; Nieto-Villar, J. M.

2013-12-01

We propose a mechanism for avascular tumor growth based on a simple chemical network. This model presents a logistic behavior and shows a “second order” phase transition. We prove the fractal origin of the empirical logistics and Gompertz constant and its relation to mitosis and apoptosis rate. Finally, the thermodynamics framework developed demonstrates the entropy production rate as a Lyapunov function during avascular tumor growth.

High pressure polymorphs and amorphization of upconversion host material NaY(WO 4) 2

DOE PAGES

Hong, Fang; Yue, Binbin; Cheng, Zhenxiang; ...

2016-07-29

The pressure effect on the structural change of upconversion host material NaY(WO 4) 2 was studied in this paper by using in-situ synchrotron X-ray diffraction. A transition from the initial scheelite phase to the M-fergusonite phase occurs near 10 GPa, and another phase transition is found near 27.5 GPa, which could be an isostructural transition without symmetry change. The sample becomes amorphous when the pressure is fully released from high pressure. Finally, this work demonstrates the possibility of synthesizing various polymorph structures for non-linear optical applications with a high pressure, chemical doping, or strained thin-film nanostructure process.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kochat, Vidya; Apte, Amey; Hachtel, Jordan A.

Alloying in 2D results in the development of new, diverse, and versatile systems with prospects in bandgap engineering, catalysis, and energy storage. Tailoring structural phase transitions using alloying is a novel idea with implications in designing all 2D device architecture as the structural phases in 2D materials such as transition metal dichalcogenides are correlated with electronic phases. In this paper, this study develops a new growth strategy employing chemical vapor deposition to grow monolayer 2D alloys of Re-doped MoSe 2 with show composition tunable structural phase variations. The compositions where the phase transition is observed agree well with the theoreticalmore » predictions for these 2D systems. Finally, it is also shown that in addition to the predicted new electronic phases, these systems also provide opportunities to study novel phenomena such as magnetism which broadens the range of their applications.« less

Phase diagram of the ultrafast photoinduced insulator-metal transition in vanadium dioxide

NASA Astrophysics Data System (ADS)

Cocker, T. L.; Titova, L. V.; Fourmaux, S.; Holloway, G.; Bandulet, H.-C.; Brassard, D.; Kieffer, J.-C.; El Khakani, M. A.; Hegmann, F. A.

2012-04-01

We use time-resolved terahertz spectroscopy to probe the ultrafast dynamics of the insulator-metal phase transition induced by femtosecond laser pulses in a nanogranular vanadium dioxide (VO2) film. Based on the observed thresholds for characteristic transient terahertz dynamics, a phase diagram of critical pump fluence versus temperature for the insulator-metal phase transition in VO2 is established for the first time over a broad range of temperatures down to 17 K. We find that both Mott and Peierls mechanisms are present in the insulating state and that the photoinduced transition is nonthermal. We propose a critical-threshold model for the ultrafast photoinduced transition based on a critical density of electrons and a critical density of coherently excited phonons necessary for the structural transition to the metallic state. As a result, evidence is found at low temperatures for an intermediate metallic state wherein the Mott state is melted but the Peierls distortion remains intact, consistent with recent theoretical predictions. Finally, the observed terahertz conductivity dynamics above the photoinduced transition threshold reveal nucleation and growth of metallic nanodomains over picosecond time scales.

Phase transitions of antibiotic clarithromycin forms I, IV and new form VII crystals.

PubMed

Ito, Masataka; Shiba, Rika; Watanabe, Miteki; Iwao, Yasunori; Itai, Shigeru; Noguchi, Shuji

2018-06-01

Metastable crystal form I of the antibiotic clarithromycin has a pharmaceutically valuable characteristic that its crystalline phase transition can be applied for its sustained release from tablets. The phase transition of form I was investigated in detail by single crystal and powder X-ray analyses, dynamic vapor sorption analysis and thermal analysis. The single crystal structure of form I revealed that form I was not an anhydrate crystal but contained a partially occupied water molecule in the channel-like void space. Dynamic vapor sorption (DVS) analysis demonstrated that form I crystals reversibly sorbed water molecules in two steps when the relative humidity (RH) increased and finally transited to hydrate form IV at 95% RH. DVS analysis also showed that when the RH decreased form IV crystals lost water molecules at 40% RH and transited to the newly identified anhydrate crystal form VII. Form VII reversibly transited to form IV at lower RH than form I, suggesting that form I is more suitable for manufacturing a sustained-release tablet of CAM utilizing the crystalline phase transition. Copyright © 2018 Elsevier B.V. All rights reserved.

Transit safety retrofit package development : final report.

DOT National Transportation Integrated Search

2014-07-01

This report provides a summary of the Transit Safety Retrofit Package (TRP) Development project and its results. The report documents results of each project phase, and provides recommended next steps as well as a vision for a next generation TRP. Th...

Defense AT and L, Volume 40, Number 1, January - February 2011

DTIC Science & Technology

2011-01-01

preparation; (2) reception , staging, onward movement and integration, and rehearsal; and (3) transition and validation. The three phases were marked...preparation tasks to move into the reception , staging, onward movement and integration, and rehearsal phase. The transition readiness review was a...been dramatized and glamorized in popular books, tele-vision series, movies , and video games. Such phrases as “the final frontier” (from the opening

New route for hollow materials

NASA Astrophysics Data System (ADS)

Rivaldo-Gómez, C. M.; Ferreira, F. F.; Landi, G. T.; Souza, J. A.

2016-08-01

Hollow micro/nano structures form an important family of functional materials. We have used the thermal oxidation process combined with the passage of electric current during a structural phase transition to disclose a colossal mass diffusion transfer of Ti ions. This combination points to a new route for fabrication of hollow materials. A structural phase transition at high temperature prepares the stage by giving mobility to Ti ions and releasing vacancies to the system. The electric current then drives an inward delocalization of vacancies, condensing into voids, and finally turning into a big hollow. This strong physical phenomenon leading to a colossal mass transfer through ionic diffusion is suggested to be driven by a combination of phase transition and electrical current followed by chemical reaction. We show this phenomenon for Ti leading to TiO2 microtube formation, but we believe that it can be used to other metals undergoing structural phase transition at high temperatures.

Dynamical Detection of Topological Phase Transitions in Short-Lived Atomic Systems.

PubMed

Setiawan, F; Sengupta, K; Spielman, I B; Sau, Jay D

2015-11-06

We demonstrate that dynamical probes provide direct means of detecting the topological phase transition (TPT) between conventional and topological phases, which would otherwise be difficult to access because of loss or heating processes. We propose to avoid such heating by rapidly quenching in and out of the short-lived topological phase across the transition that supports gapless excitations. Following the quench, the distribution of excitations in the final conventional phase carries signatures of the TPT. We apply this strategy to study the TPT into a Majorana-carrying topological phase predicted in one-dimensional spin-orbit-coupled Fermi gases with attractive interactions. The resulting spin-resolved momentum distribution, computed by self-consistently solving the time-dependent Bogoliubov-de Gennes equations, exhibits Kibble-Zurek scaling and Stückelberg oscillations characteristic of the TPT. We discuss parameter regimes where the TPT is experimentally accessible.

Dynamical Detection of Topological Phase Transitions in Short-Lived Atomic Systems

NASA Astrophysics Data System (ADS)

Setiawan, F.; Sengupta, K.; Spielman, I. B.; Sau, Jay D.

2015-11-01

We demonstrate that dynamical probes provide direct means of detecting the topological phase transition (TPT) between conventional and topological phases, which would otherwise be difficult to access because of loss or heating processes. We propose to avoid such heating by rapidly quenching in and out of the short-lived topological phase across the transition that supports gapless excitations. Following the quench, the distribution of excitations in the final conventional phase carries signatures of the TPT. We apply this strategy to study the TPT into a Majorana-carrying topological phase predicted in one-dimensional spin-orbit-coupled Fermi gases with attractive interactions. The resulting spin-resolved momentum distribution, computed by self-consistently solving the time-dependent Bogoliubov-de Gennes equations, exhibits Kibble-Zurek scaling and Stückelberg oscillations characteristic of the TPT. We discuss parameter regimes where the TPT is experimentally accessible.

Phase Transitions in Finite Systems

NASA Astrophysics Data System (ADS)

Chomaz, Philippe; Gulminelli, Francesca

In this series of lectures we will first review the general theory of phase transition in the framework of information theory and briefly address some of the well known mean field solutions of three dimensional problems. The theory of phase transitions in finite systems will then be discussed, with a special emphasis to the conceptual problems linked to a thermodynamical description for small, short-lived, open systems as metal clusters and data samples coming from nuclear collisions. The concept of negative heat capacity developed in the early seventies in the context of self-gravitating systems will be reinterpreted in the general framework of convexity anomalies of thermostatistical potentials. The connection with the distribution of the order parameter will lead us to a definition of first order phase transitions in finite systems based on topology anomalies of the event distribution in the space of observations. Finally a careful study of the thermodynamical limit will provide a bridge with the standard theory of phase transitions and show that in a wide class of physical situations the different statistical ensembles are irreducibly inequivalent.

Kerr-AdS analogue of triple point and solid/liquid/gas phase transition

NASA Astrophysics Data System (ADS)

Altamirano, Natacha; Kubizňák, David; Mann, Robert B.; Sherkatghanad, Zeinab

2014-02-01

We study the thermodynamic behavior of multi-spinning d = 6 Kerr-anti de Sitter black holes in the canonical ensemble of fixed angular momenta J1 and J2. We find, dependent on the ratio q = J2/J1, qualitatively different interesting phenomena known from the ‘every day thermodynamics’ of simple substances. For q = 0 the system exhibits recently observed reentrant large/small/large black hole phase transitions, but for 0 < q ≪ 1 we find an analogue of a ‘solid/liquid’ phase transition. Furthermore, for q ∈ (0.00905, 0.0985) the system displays the presence of a large/intermediate/small black hole phase transition with two critical and one triple (or tricritical) points. This behavior is reminiscent of the solid/liquid/gas phase transition except that the coexistence line of small and intermediate black holes does not continue for an arbitrary value of pressure (similar to the solid/liquid coexistence line) but rather terminates at one of the critical points. Finally, for q > 0.0985 we observe the ‘standard liquid/gas behavior’ of the Van der Waals fluid.

Long-Time Variation of Magnetic Structure in (Pr xLa 1-x)Co 2Si 2: Coexistence of Slow and Fast Processes in Magnetic Phase Transition

DOE PAGES

Motoya, Kiyoichiro; Hagihala, Masato; Shigeoka, Toru; ...

2017-03-14

In this paper, long-time variations of the magnetic structure in PrCo 2Si 2 and (Pr 0.98La 0.02)Co 2Si 2 were studied by magnetization and time-resolved neutron scattering measurements. The amplitudes of magnetic Bragg peaks showed marked time variations after cooling or heating across the magnetic transition temperature T 1 between two different antiferromagnetic phases. However, the amplitude of the time variation decreased rapidly with increasing distance from T 1. Finally, we analyzed the results on the basis of a phase transition model that includes the coexistence of fast and slow processes.

Oregon regional intelligent transportation systems (ITS) integration program. Final phase II report

DOT National Transportation Integrated Search

2002-07-12

The purpose of the Transit Tracker evaluation is to collect and analyze data related to a change in bus riders behaviors and perceptions of service and security as a result of the Transit Tracker information displays. Four measures of effectivenes...

Oregon regional intelligent transportation systems (ITS) integration program. Final phase III report, transit tracker information displays

DOT National Transportation Integrated Search

2003-11-14

Transit Tracker uses global positioning system (GPS) technology to track how far a bus is along its scheduled route. This document presents the evaluation strategies and objectives, the data collection methodologies, and the results of the evaluation...

Revisiting non-Gaussianity from non-attractor inflation models

NASA Astrophysics Data System (ADS)

Cai, Yi-Fu; Chen, Xingang; Namjoo, Mohammad Hossein; Sasaki, Misao; Wang, Dong-Gang; Wang, Ziwei

2018-05-01

Non-attractor inflation is known as the only single field inflationary scenario that can violate non-Gaussianity consistency relation with the Bunch-Davies vacuum state and generate large local non-Gaussianity. However, it is also known that the non-attractor inflation by itself is incomplete and should be followed by a phase of slow-roll attractor. Moreover, there is a transition process between these two phases. In the past literature, this transition was approximated as instant and the evolution of non-Gaussianity in this phase was not fully studied. In this paper, we follow the detailed evolution of the non-Gaussianity through the transition phase into the slow-roll attractor phase, considering different types of transition. We find that the transition process has important effect on the size of the local non-Gaussianity. We first compute the net contribution of the non-Gaussianities at the end of inflation in canonical non-attractor models. If the curvature perturbations keep evolving during the transition—such as in the case of smooth transition or some sharp transition scenarios—the Script O(1) local non-Gaussianity generated in the non-attractor phase can be completely erased by the subsequent evolution, although the consistency relation remains violated. In extremal cases of sharp transition where the super-horizon modes freeze immediately right after the end of the non-attractor phase, the original non-attractor result can be recovered. We also study models with non-canonical kinetic terms, and find that the transition can typically contribute a suppression factor in the squeezed bispectrum, but the final local non-Gaussianity can still be made parametrically large.

Phase diagram for a two-dimensional, two-temperature, diffusive XY model.

PubMed

Reichl, Matthew D; Del Genio, Charo I; Bassler, Kevin E

2010-10-01

Using Monte Carlo simulations, we determine the phase diagram of a diffusive two-temperature conserved order parameter XY model. When the two temperatures are equal the system becomes the equilibrium XY model with the continuous Kosterlitz-Thouless (KT) vortex-antivortex unbinding phase transition. When the two temperatures are unequal the system is driven by an energy flow from the higher temperature heat-bath to the lower temperature one and reaches a far-from-equilibrium steady state. We show that the nonequilibrium phase diagram contains three phases: A homogenous disordered phase and two phases with long range, spin texture order. Two critical lines, representing continuous phase transitions from a homogenous disordered phase to two phases of long range order, meet at the equilibrium KT point. The shape of the nonequilibrium critical lines as they approach the KT point is described by a crossover exponent φ=2.52±0.05. Finally, we suggest that the transition between the two phases with long-range order is first-order, making the KT-point where all three phases meet a bicritical point.

Energy management guidelines for rail transit systems : volume I. final report

DOT National Transportation Integrated Search

1986-09-01

The cost of electricity is a significant portion of the operating costs of rail transit systems. The impact of increasing energy costs is felt by those systems presently in operation and will be felt by those in the planning or construction phases. B...

Sign phase transition in the problem of interfering directed paths

NASA Astrophysics Data System (ADS)

Baldwin, C. L.; Laumann, C. R.; Spivak, B.

2018-01-01

We investigate the statistical properties of interfering directed paths in disordered media. At long distance, the average sign of the sum over paths may tend to zero (sign disordered) or remain finite (sign ordered) depending on dimensionality and the concentration of negative scattering sites x . We show that in two dimensions the sign-ordered phase is unstable even for arbitrarily small x by identifying rare destabilizing events. In three dimensions, we present strong evidence that there is a sign phase transition at a finite xc>0 . These results have consequences for several different physical systems. In two-dimensional insulators at low temperature, the variable-range-hopping magnetoresistance is always negative, while in three dimensions, it changes sign at the point of the sign phase transition. We also show that in the sign-disordered regime a small magnetic field may enhance superconductivity in a random system of D -wave superconducting grains embedded in a metallic matrix. Finally, the existence of the sign phase transition in three dimensions implies new features in the spin-glass phase diagram at high temperature.

Phase Transition of H 2 in Subnanometer Pores Observed at 75 K

DOE PAGES

Olsen, Raina J.; Gillespie, Andrew K.; Contescu, Cristian I.; ...

2017-10-30

In this paper, we report a phase transition in H 2 adsorbed in a locally graphitic Saran carbon with subnanometer pores 0.5–0.65 nm in width, in which two layers of hydrogen can just barely squeeze, provided they pack tightly. The phase transition is observed at 75 K, temperatures far higher than other systems in which an adsorbent is known to increase phase transition temperatures: for instance, H 2 melts at 14 K in the bulk, but at 20 K on graphite because the solid H 2 is stabilized by the surface structure. Here we observe a transition at 75 Kmore » and 77–200 bar: from a low-temperature, low-density phase to a high-temperature, higher density phase. We model the low-density phase as a monolayer commensurate solid composed mostly of para-H 2 (the ground nuclear spin state, S = 0) and the high-density phase as an orientationally ordered bilayer commensurate solid composed mostly of ortho-H 2 (S = 1). We attribute the increase in density with temperature to the fact that the oblong ortho-H 2 can pack more densely. The transition is observed using two experiments. The high-density phase is associated with an increase in neutron backscatter by a factor of 7.0 ± 0.1. Normally, hydrogen produces no backscatter (scattering angle >90°). This backscatter appears along with a discontinuous increase in the excitation mass from 1.2 amu to 21.0 ± 2.3 amu, which we associate with collective nuclear spin excitations in the orientationally ordered phase. Film densities were measured using hydrogen adsorption. Finally, no phase transition was observed in H 2 adsorbed in control activated carbon materials.« less

Phase Transition of H 2 in Subnanometer Pores Observed at 75 K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olsen, Raina J.; Gillespie, Andrew K.; Contescu, Cristian I.

In this paper, we report a phase transition in H 2 adsorbed in a locally graphitic Saran carbon with subnanometer pores 0.5–0.65 nm in width, in which two layers of hydrogen can just barely squeeze, provided they pack tightly. The phase transition is observed at 75 K, temperatures far higher than other systems in which an adsorbent is known to increase phase transition temperatures: for instance, H 2 melts at 14 K in the bulk, but at 20 K on graphite because the solid H 2 is stabilized by the surface structure. Here we observe a transition at 75 Kmore » and 77–200 bar: from a low-temperature, low-density phase to a high-temperature, higher density phase. We model the low-density phase as a monolayer commensurate solid composed mostly of para-H 2 (the ground nuclear spin state, S = 0) and the high-density phase as an orientationally ordered bilayer commensurate solid composed mostly of ortho-H 2 (S = 1). We attribute the increase in density with temperature to the fact that the oblong ortho-H 2 can pack more densely. The transition is observed using two experiments. The high-density phase is associated with an increase in neutron backscatter by a factor of 7.0 ± 0.1. Normally, hydrogen produces no backscatter (scattering angle >90°). This backscatter appears along with a discontinuous increase in the excitation mass from 1.2 amu to 21.0 ± 2.3 amu, which we associate with collective nuclear spin excitations in the orientationally ordered phase. Film densities were measured using hydrogen adsorption. Finally, no phase transition was observed in H 2 adsorbed in control activated carbon materials.« less

Machine learning–enabled identification of material phase transitions based on experimental data: Exploring collective dynamics in ferroelectric relaxors

DOE PAGES

Li, Linglong; Yang, Yaodong; Zhang, Dawei; ...

2018-03-30

Exploration of phase transitions and construction of associated phase diagrams are of fundamental importance for condensed matter physics and materials science alike, and remain the focus of extensive research for both theoretical and experimental studies. For the latter, comprehensive studies involving scattering, thermodynamics, and modeling are typically required. We present a new approach to data mining multiple realizations of collective dynamics, measured through piezoelectric relaxation studies, to identify the onset of a structural phase transition in nanometer-scale volumes, that is, the probed volume of an atomic force microscope tip. Machine learning is used to analyze the multidimensional data sets describingmore » relaxation to voltage and thermal stimuli, producing the temperature-bias phase diagram for a relaxor crystal without the need to measure (or know) the order parameter. The suitability of the approach to determine the phase diagram is shown with simulations based on a two-dimensional Ising model. Finally, these results indicate that machine learning approaches can be used to determine phase transitions in ferroelectrics, providing a general, statistically significant, and robust approach toward determining the presence of critical regimes and phase boundaries.« less

Machine learning–enabled identification of material phase transitions based on experimental data: Exploring collective dynamics in ferroelectric relaxors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Linglong; Yang, Yaodong; Zhang, Dawei

Exploration of phase transitions and construction of associated phase diagrams are of fundamental importance for condensed matter physics and materials science alike, and remain the focus of extensive research for both theoretical and experimental studies. For the latter, comprehensive studies involving scattering, thermodynamics, and modeling are typically required. We present a new approach to data mining multiple realizations of collective dynamics, measured through piezoelectric relaxation studies, to identify the onset of a structural phase transition in nanometer-scale volumes, that is, the probed volume of an atomic force microscope tip. Machine learning is used to analyze the multidimensional data sets describingmore » relaxation to voltage and thermal stimuli, producing the temperature-bias phase diagram for a relaxor crystal without the need to measure (or know) the order parameter. The suitability of the approach to determine the phase diagram is shown with simulations based on a two-dimensional Ising model. Finally, these results indicate that machine learning approaches can be used to determine phase transitions in ferroelectrics, providing a general, statistically significant, and robust approach toward determining the presence of critical regimes and phase boundaries.« less

Synergistic effect of non-covalent interaction in colloidal nematic liquid crystal doped with magnetic functionalized single-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Dalir, Nima; Javadian, Soheila

2018-03-01

Single-walled carbon nanotubes (SWCNTs), CNT@Fe3O4, and Fe3O4 nanocomposites were doped to eutectic uniaxial nematic liquid crystal (NLC's) (E5CN7) to improve physiochemical properties such as phase transition temperature, activation energy (Ea), dielectric anisotropy, and electro-optical properties. The thermal study of nematic phase shows a decrease in the nematic to isotropic phase transition temperature as CNT is doped. However, higher doping concentration of CNTs leads to the further increase in transition temperature. The anchoring effect or π-π interaction plays a key role in N-I phase transition. The functionalization of SWCNTs with Fe3O4 diminishes the CNT aggregation while the magnetic susceptibility is increased. The functionalized CNT doping to NLC's decrease significantly the phase transition temperature compared to doping of non-functionalized CNTs. Attractive interaction between guest and host molecules by magnetic and geometry effect increased the enthalpy and entropy of phase transition in the SWCNT@Fe3O4 sample compared to non-functionalized CNT doped system. Also, the Ea values are decreased as SWCNT@Fe3O4 is doped to pure E5CN7. The difference of N-I phase transition temperature was observed in Fe3O4 and CNT@Fe3O4 compared to SWCNT doped systems. Finally, dielectric anisotropy was increased in the doped system compared to pure NLC.

Nanoscale phase change memory materials.

PubMed

Caldwell, Marissa A; Jeyasingh, Rakesh Gnana David; Wong, H-S Philip; Milliron, Delia J

2012-08-07

Phase change memory materials store information through their reversible transitions between crystalline and amorphous states. For typical metal chalcogenide compounds, their phase transition properties directly impact critical memory characteristics and the manipulation of these is a major focus in the field. Here, we discuss recent work that explores the tuning of such properties by scaling the materials to nanoscale dimensions, including fabrication and synthetic strategies used to produce nanoscale phase change memory materials. The trends that emerge are relevant to understanding how such memory technologies will function as they scale to ever smaller dimensions and also suggest new approaches to designing materials for phase change applications. Finally, the challenges and opportunities raised by integrating nanoscale phase change materials into switching devices are discussed.

Realization of the axial next-nearest-neighbor Ising model in U 3 Al 2 Ge 3

DOE PAGES

Fobes, David M.; Lin, Shi-Zeng; Ghimire, Nirmal J.; ...

2017-11-09

Inmore » this paper, we report small-angle neutron scattering (SANS) measurements and theoretical modeling of U 3 Al 2 Ge 3 . Analysis of the SANS data reveals a phase transition to sinusoidally modulated magnetic order at T N = 63 K to be second order and a first-order phase transition to ferromagnetic order at T c = 48 K. Within the sinusoidally modulated magnetic phase (T c < T < T N), we uncover a dramatic change, by a factor of 3, in the ordering wave vector as a function of temperature. Finally, these observations all indicate that U 3 Al 2 Ge 3 is a close realization of the three-dimensional axial next-nearest-neighbor Ising model, a prototypical framework for describing commensurate to incommensurate phase transitions in frustrated magnets.« less

Realization of the axial next-nearest-neighbor Ising model in U 3 Al 2 Ge 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fobes, David M.; Lin, Shi-Zeng; Ghimire, Nirmal J.

Inmore » this paper, we report small-angle neutron scattering (SANS) measurements and theoretical modeling of U 3 Al 2 Ge 3 . Analysis of the SANS data reveals a phase transition to sinusoidally modulated magnetic order at T N = 63 K to be second order and a first-order phase transition to ferromagnetic order at T c = 48 K. Within the sinusoidally modulated magnetic phase (T c < T < T N), we uncover a dramatic change, by a factor of 3, in the ordering wave vector as a function of temperature. Finally, these observations all indicate that U 3 Al 2 Ge 3 is a close realization of the three-dimensional axial next-nearest-neighbor Ising model, a prototypical framework for describing commensurate to incommensurate phase transitions in frustrated magnets.« less

Substrate Temperature effect on the transition characteristics of Vanadium (IV) oxide

NASA Astrophysics Data System (ADS)

Yang, Tsung-Han; Wei, Wei; Jin, Chunming; Narayan, Jay

2008-10-01

One of the semiconductor to metal transition material (SMT) is Vanadium Oxide (VO2) which has a very sharp transition temperature close to 340 K as the crystal structure changes from monoclinic phase (semiconductor) into tetragonal phase (metal phase). We have grown high-quality epitaxial vanadium oxide (VO2) films on sapphire (0001) substrates by pulsed laser deposition for oxygen pressure 10-2torr and obtained interesting results without further annealing treatments. The epitaxial growth via domain matching epitaxy, where integral multiples of planes matched across the film-substrate interface. We were able to control the transition characteristics such as the sharpness (T), amplitude (A) of SMT transition and the width of thermal hysteresis (H) by altering the substrate temperature from 300 ^oC, 400 ^oC, 500 ^oC, and 600 ^oC. We use the XRD to identify the microstructure of film and measure the optical properties of film. Finally the transition characteristics is observed by the resistance with the increase of temperature by Van Der Pauw method from 25 to 100 ^oC to measure the electrical resistivity hystersis loop during the transition temperature.

Discovering phases, phase transitions, and crossovers through unsupervised machine learning: A critical examination

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Wenjian; Singh, Rajiv R. P.; Scalettar, Richard T.

Here, we apply unsupervised machine learning techniques, mainly principal component analysis (PCA), to compare and contrast the phase behavior and phase transitions in several classical spin models - the square and triangular-lattice Ising models, the Blume-Capel model, a highly degenerate biquadratic-exchange spin-one Ising (BSI) model, and the 2D XY model, and examine critically what machine learning is teaching us. We find that quantified principal components from PCA not only allow exploration of different phases and symmetry-breaking, but can distinguish phase transition types and locate critical points. We show that the corresponding weight vectors have a clear physical interpretation, which ismore » particularly interesting in the frustrated models such as the triangular antiferromagnet, where they can point to incipient orders. Unlike the other well-studied models, the properties of the BSI model are less well known. Using both PCA and conventional Monte Carlo analysis, we demonstrate that the BSI model shows an absence of phase transition and macroscopic ground-state degeneracy. The failure to capture the 'charge' correlations (vorticity) in the BSI model (XY model) from raw spin configurations points to some of the limitations of PCA. Finally, we employ a nonlinear unsupervised machine learning procedure, the 'antoencoder method', and demonstrate that it too can be trained to capture phase transitions and critical points.« less

Discovering phases, phase transitions, and crossovers through unsupervised machine learning: A critical examination

DOE PAGES

Hu, Wenjian; Singh, Rajiv R. P.; Scalettar, Richard T.

2017-06-19

Here, we apply unsupervised machine learning techniques, mainly principal component analysis (PCA), to compare and contrast the phase behavior and phase transitions in several classical spin models - the square and triangular-lattice Ising models, the Blume-Capel model, a highly degenerate biquadratic-exchange spin-one Ising (BSI) model, and the 2D XY model, and examine critically what machine learning is teaching us. We find that quantified principal components from PCA not only allow exploration of different phases and symmetry-breaking, but can distinguish phase transition types and locate critical points. We show that the corresponding weight vectors have a clear physical interpretation, which ismore » particularly interesting in the frustrated models such as the triangular antiferromagnet, where they can point to incipient orders. Unlike the other well-studied models, the properties of the BSI model are less well known. Using both PCA and conventional Monte Carlo analysis, we demonstrate that the BSI model shows an absence of phase transition and macroscopic ground-state degeneracy. The failure to capture the 'charge' correlations (vorticity) in the BSI model (XY model) from raw spin configurations points to some of the limitations of PCA. Finally, we employ a nonlinear unsupervised machine learning procedure, the 'antoencoder method', and demonstrate that it too can be trained to capture phase transitions and critical points.« less

Discovering phases, phase transitions, and crossovers through unsupervised machine learning: A critical examination

NASA Astrophysics Data System (ADS)

Hu, Wenjian; Singh, Rajiv R. P.; Scalettar, Richard T.

2017-06-01

We apply unsupervised machine learning techniques, mainly principal component analysis (PCA), to compare and contrast the phase behavior and phase transitions in several classical spin models—the square- and triangular-lattice Ising models, the Blume-Capel model, a highly degenerate biquadratic-exchange spin-1 Ising (BSI) model, and the two-dimensional X Y model—and we examine critically what machine learning is teaching us. We find that quantified principal components from PCA not only allow the exploration of different phases and symmetry-breaking, but they can distinguish phase-transition types and locate critical points. We show that the corresponding weight vectors have a clear physical interpretation, which is particularly interesting in the frustrated models such as the triangular antiferromagnet, where they can point to incipient orders. Unlike the other well-studied models, the properties of the BSI model are less well known. Using both PCA and conventional Monte Carlo analysis, we demonstrate that the BSI model shows an absence of phase transition and macroscopic ground-state degeneracy. The failure to capture the "charge" correlations (vorticity) in the BSI model (X Y model) from raw spin configurations points to some of the limitations of PCA. Finally, we employ a nonlinear unsupervised machine learning procedure, the "autoencoder method," and we demonstrate that it too can be trained to capture phase transitions and critical points.

Microstructure characterization of a food-grade U-type microemulsion system by differential scanning calorimetry and electrical conductivity techniques.

PubMed

Zhang, Hui; Taxipalati, Maierhaba; Que, Fei; Feng, Fengqin

2013-12-01

The microstructure transitions of a food-grade U-type microemulsion system containing glycerol monolaurate and propionic acid at a 1:1 mass ratio as oil phase and Tween 80 as surfactant were investigated along a water dilution line at a ratio of 80:20 mass% surfactant/oil phase, based on a previously studied phase diagram. From the water thermal behaviours detected by differential scanning calorimetry, three structural regions are identified along the dilution line. In the first region, all water molecules are confined to the water core of the reverse micelles, leading to the formation of w/o microemulsion. As the water content increases, the water gains mobility, transforms into bicontinuous in the second region, and finally the microemulsion become o/w in the third region. The thermal transition points coincide with the structural phase transitions by electrical conductivity measurements, indicating that the structural transitions occur at 35 and 65 mass% of water along the dilution line. Copyright © 2013 Elsevier Ltd. All rights reserved.

The National Council on Crime and Delinquency NewGate Resource Center. Final Report.

ERIC Educational Resources Information Center

Herron, Rex; Muir, John

The origin and development of Project NewGate are described from 1971-74. (The project presents a model program of higher education for incarcerated offenders, consisting of the in-prison phase, transitional phase, and release phase.) Specific project characteristics are discussed and include a 4-year academic program for prison inmates; an…

Final Technical Report: Application of in situ Neutron Diffraction to Understand the Mechanism of Phase Transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chandran, Ravi

In this research, phase transitions in the bulk electrodes for Li-ion batteries were investigated using neutron diffraction (ND) as well as neutron imaging techniques. The objectives of this research is to design of a novel in situ electrochemical cell to obtain Rietveld refinable neutron diffraction experiments using small volume electrodes of various laboratory/research-scale electrodes intended for Li-ion batteries. This cell is also to be used to investigate the complexity of phase transitions in Li(Mg) alloy electrodes, either by diffraction or by neutron imaging, which occur under electrochemical lithiation and delithiation, and to determine aspects of phase transition that enable/limit energymore » storage capacity. Additional objective is to investigate the phase transitions in electrodes made of etched micro-columns of silicon and investigate the effect of particle/column size on phase transitions and nonequilibrium structures. An in situ electrochemical cell was designed successfully and was used to study the phase transitions under in-situ neutron diffraction in both the electrodes (anode/cathode) simultaneously in graphite/LiCoO 2 and in graphite/LiMn 2O 4 cells each with two cells. The diffraction patterns fully validated the working of the in situ cell. Additional experimental were performed using the Si micro-columnar electrodes. The results revealed new lithiation phenomena, as evidenced by mosaicity formation in silicon electrode. These experiments were performed in Vulcan diffractometer at SNS, Oak Ridge National Laboratory. In parallel, the spatial distribution of Li during lithiation and delithiation processes in Li-battery electrodes were investigated. For this purpose, neutron tomographic imaging technique has been used for 3D mapping of Li distribution in bulk Li(Mg) alloy electrodes. It was possible to observe the phase boundary of Li(Mg) alloy indicating phase transition from Li-rich BCC β-phase to Li-lean α-phase. These experiments have been performed at CG-1D Neutron Imaging Prototype Station at SNS.« less

Large resistivity modulation in mixed-phase metallic systems

DOE PAGES

Lee, Yeonbae; Liu, Z. Q.; Heron, J. T.; ...

2015-01-07

Giant physical responses were discovered, in numerous systems, when two phases coexist; for example, near a phase transition. An intermetallic FeRh system undergoes a first-order antiferromagnetic to ferromagnetic transition above room temperature and shows two-phase coexistence near the transition. We have investigated the effect of an electric field to FeRh/PMN-PT heterostructures and report 8% change in the electrical resistivity of FeRh films. Such a 'giant' electroresistance (GER) response is striking in metallic systems, in which external electric fields are screened, and thus only weakly influence the carrier concentrations and mobilities. We show that our FeRh films comprise coexisting ferromagnetic andmore » antiferromagnetic phases with different resistivities and the origin of the GER effect is the strain-mediated change in their relative proportions. Finally, the observed behaviour is reminiscent of colossal magnetoresistance in perovskite manganites and illustrates the role of mixed-phase coexistence in achieving large changes in physical properties with low-energy external perturbation.« less

Magnification of signatures of a topological phase transition by quantum zero point motion

NASA Astrophysics Data System (ADS)

Lopes, Pedro L. e. S.; Ghaemi, Pouyan

2015-08-01

We show that the zero point motion of a vortex in superconducting doped topological insulators leads to significant changes in the electronic spectrum at the topological phase transition in this system. This topological phase transition is tuned by the doping level, and the corresponding effects are manifest in the density of states at energies which are on the order of the vortex fluctuation frequency. Although the electronic energy gap in the spectrum generated by a stationary vortex is but a small fraction of the bulk superconducting gap, the vortex fluctuation frequency may be much larger. As a result, this quantum zero point motion can induce a discontinuous change in the spectral features of the system at the topological vortex phase transition to energies which are well within the resolution of scanning tunneling microscopy. This discontinuous change is exclusive to superconducting systems in which we have a topological phase transition. Moreover, the phenomena studied in this paper present effects of Magnus forces on the vortex spectrum which are not present in the ordinary s -wave superconductors. Finally, we demonstrate explicitly that the vortex in this system is equivalent to a Kitaev chain. This allows for the mapping of the vortex fluctuating scenario in three dimensions into similar one-dimensional situations in which one may search for other novel signatures of topological phase transitions.

A Novel Liquid-Liquid Transition in Undercooled Ti-Zr-Ni Liquids

NASA Technical Reports Server (NTRS)

Lee, G. W.; Gangopadhyay, A. K.; Kelton, K. F.; Bradshaw, R. C.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.

2004-01-01

If crystallization can be avoided, liquids enter a metastable (undercooled) state below their equilibrium liquidus temperatures, T(sub l), finally 'freezing' into a glass below a characteristic temperature called the glass transition temperature, T(sub g). In rare cases, the undercooled liquid may undergo a liquid-liquid phase transition (liquid polymorphism) before entering the glassy state. This has been suggested from experimental studies of H2O and Si. Such phase transitions have been predicted in some stable liquids, ie. above T(sub l) at atmospheric pressure, for SiO2 and BeF2, but these have not been verified experimentally. They have been observed in liquids of P, Si and C, but only under high pressure. In this letter we present the first experimental evidence for a phase transition in a low viscosity metallic liquid that is driven by an approach to a constant entropy configuration state and correlated with a growing icosahedral order in the liquid. A maximum in the specific heat at constant pressure, similar to what is normally observed near T(sub g), is reported for undercooled liquids of quasicrystal-forming Ti-Zr-Ni alloys. A two-state excitation model that includes cooperativity by incorporating a temperature-dependent excitation energy, fits the specific heat data well, signaling a phase transition. An inflection in the liquid density with decreasing temperature instead of a discontinuity indicates that this is not a typical first order phase transition; it could be a weakly first order or higher order transition. While showing many similarities to a glass transition, this liquid-liquid phase transition occurs in a mobile liquid, making it novel.

Singlet-catalyzed electroweak phase transitions in the 100 TeV frontier

NASA Astrophysics Data System (ADS)

Kotwal, Ashutosh V.; Ramsey-Musolf, Michael J.; No, Jose Miguel; Winslow, Peter

2016-08-01

We study the prospects for probing a gauge singlet scalar-driven strong first-order electroweak phase transition with a future proton-proton collider in the 100 TeV range. Singlet-Higgs mixing enables resonantly enhanced di-Higgs production, potentially aiding discovery prospects. We perform Monte Carlo scans of the parameter space to identify regions associated with a strong first-order electroweak phase transition, analyze the corresponding di-Higgs signal, and select a set of benchmark points that span the range of di-Higgs signal strengths. For the b b ¯γ γ and 4 τ final states, we investigate discovery prospects for each benchmark point for the high-luminosity phase of the Large Hadron Collider and for a future p p collider with √{s }=50 , 100, or 200 TeV. We find that any of these future collider scenarios could significantly extend the reach beyond that of the high-luminosity LHC, and that with √{s }=100 TeV (200 TeV) and 30 ab-1 , the full region of parameter space favorable to strong first-order electroweak phase transitions is almost fully (fully) discoverable.

Thermal Conductivity and Thermopower near the 2D Metal-Insulator transition, Final Technical Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarachik, Myriam P.

2015-02-20

STUDIES OF STRONGLY-INTERACTING 2D ELECTRON SYSTEMS – There is a great deal of current interest in the properties of systems in which the interaction between electrons (their potential energy) is large compared to their kinetic energy. We have investigated an apparent, unexpected metal-insulator transition inferred from the behavior of the temperature-dependence of the resistivity; moreover, detailed analysis of the behavior of the magnetoresistance suggests that the electrons’ effective mass diverges, supporting this scenario. Whether this is a true phase transition or crossover behavior has been strenuously debated over the past 20 years. Our measurements have now shown that the thermoelectricmore » power of these 2D materials diverges at a finite density, providing clear evidence that this is, in fact, a phase transition to a new low-density phase which may be a precursor or a direct transition to the long sought-after electronic crystal predicted by Eugene Wigner in 1934.« less

A Liquid-Liquid Transition in an Undercooled Ti-Zr-Ni Liquid

NASA Technical Reports Server (NTRS)

Lee, G. W.; Gangopadhyay, A. K.; Kelton, K. F.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.

2003-01-01

If crystallization can be avoided, liquids enter a metastable (undercooled) state below their equilibrium liquidus temperatures, TI, finally freezing into a glass below a characteristic temperature called the glass transition temperature, T,. In rare cases, the undercooled liquid may undergo a liquid-liquid phase transition (liquid polymorphism) before entering the glassy state. This has been suggested from experimental studies of HzO and Si4. Such phase transitions have been predicted in some stable liquids, i.e. above TI at atmospheric pressure, for Si02 and BeF;, but these have not been verified experimentally. They have been observed in liquids of P7, Sis and C9, but only under high pressure. All of these transitions are driven by an anomalous density change, i.e. change in local structure, with temperature or pressure. In this letter we present the first experimental evidence for a phase transition in a low viscosity liquid that is not driven by an anomalous density change, but by an approach to a constant configuration state. A maximum in the specific heat at constant pressure, similar to what is normally observed near T,, is reported here for undercooled low viscosity liquids of quasicrystal- forming Ti-Zr-Ni alloys. that includes cooperativity, by incorporating a temperature dependent excitation energy fits the data well, signaling a phase transition.

Effects of frustration on explosive synchronization

NASA Astrophysics Data System (ADS)

Huang, Xia; Gao, Jian; Sun, Yu-Ting; Zheng, Zhi-Gang; Xu, Can

2016-12-01

In this study, we consider the emergence of explosive synchronization in scale-free networks by considering the Kuramoto model of coupled phase oscillators. The natural frequencies of oscillators are assumed to be correlated with their degrees and frustration is included in the system. This assumption can enhance or delay the explosive transition to synchronization. Interestingly, a de-synchronization phenomenon occurs and the type of phase transition is also changed. Furthermore, we provide an analytical treatment based on a star graph, which resembles that obtained in scale-free networks. Finally, a self-consistent approach is implemented to study the de-synchronization regime. Our findings have important implications for controlling synchronization in complex networks because frustration is a controllable parameter in experiments and a discontinuous abrupt phase transition is always dangerous in engineering in the real world.

Patterns in shrinking gels

NASA Astrophysics Data System (ADS)

Matsuo, Eriko Sato; Tanaka, Toyoichi

1992-08-01

POLYMER gels can undergo a volume phase transition (either continuous or discontinuous) when an external condition, such as temperature or solvent composition, is altered1-3. During this transition, the volume may change by a factor of several thousand, and various patterns develop in the gel. The patterns arising from swelling and shrinking differ in both their appearance and their physical mechanisms. The mechanism for the formation and evolution of patterns on swelling gels has been established as being due to a single kind of mechanical instability4-7 in contrast, the shrinking patterns seem to be sensitive to both the initial and final states of the transition. Here we classify the various shrinking patterns in the form of a phase diagram, and explain the poly-morphism in terms of macroscopic phase separation.

The structural and magnetic phase transitions in Ca 0.73La 0.27FeAs 2 with electron overdoped FeAs layers.

DOE PAGES

Jiang, Shan; Liu, Chang; Cao, H.; ...

2016-02-26

Here we report a study of the Ca 0.73La 0.27FeAs 2 single crystals. We unravel a monoclinic to triclinic phase transition at 58 K, and a paramagnetic to stripe antiferromagnetic (AFM) phase transition at 54 K, below which spins order 45° away from the stripe direction. Furthermore, we demonstrate this material is substantially structurally untwinned at ambient pressure with the formation of spin rotation walls (S-walls). Finally, in addition to the central-hole and corner-electron Fermi pockets usually appearing in FPS, angle-resolved photoemission (ARPES) measurements resolve a Fermiology where an extra electron pocket of mainly As chain character exists at themore » Brillouin zone edge.« less

Photopyroelectric Calorimetry Investigations of 8CB Liquid Crystal-Microemulsion System

NASA Astrophysics Data System (ADS)

Paoloni, S.; Zammit, U.; Mercuri, F.

2018-02-01

In this work, the photopyroelectric technique has been used to investigate the phase transitions in a liquid crystal microemulsion by combining the simultaneous high temperature resolution thermal diffusivity measurements and optical polarization microscopy observations. It has been found that, during the conversion from the isotropic phase into the nematic one, the micelles are expelled from the nematic domains and remain confined in islands of isotropic material which survive down to the smectic temperature range. A hysteresis in the thermal diffusivity profiles between heating and cooling run over the isotropic-nematic transition temperature range has been observed which has been ascribed to the different micelles distribution into the sample volume during cooling and heating runs. Finally, the almost bulk-like behavior of the thermal diffusivity over the nematic-smectic phase transition confirms that a significant fraction of the micelles are expelled during the nucleation of the nematic phase.

The puzzling first-order phase transition in water–glycerol mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Popov, Ivan; Greenbaum; Sokolov, Alexei P.

2015-06-05

Over the last decade, discussions on a possible liquid-liquid transition (LLT) have strongly intensified. The LLT proposed by several authors focused mostly on explaining the anomalous properties of water in a deeply supercooled state. However, there have been no direct experimental observations yet of LLT in bulk water in the so-called 'no man's land', where water exists only in the crystalline states. Recently, a novel experimental strategy to detect LLT in water has been employed using water-glycerol (W-G) mixtures, because glycerol can generate a strong hindrance for water crystallization. As a result, the observed first-order phase transition at a concentrationmore » of glycerol around c(g) approximate to 20 mol% was ascribed to the LLT. Here we show unambiguously that the first order phase transition in W-G mixtures is caused by the ice formation. We provide additional dielectric measurements, applying specific annealing temperature protocols in order to reinforce this conclusion. We also provide an explanation, why such a phase transition occurs only in the narrow glycerol concentration range. These results clearly demonstrate the danger of analysis of phase-separating liquids to gain better insights into water dynamics. These liquids have complex phase behavior that is affected by temperature, phase stability and segregation, viscosity and nucleation, and finally by crystallization, that might lead to significant misinterpretations.« less

Turner syndrome: transition from pediatrics to adulthood.

PubMed

Rubin, Karen R

2008-09-01

To highlight the importance of an improved, seamless, and effective transition from pediatric to adult care, especially for medically complex conditions such as Turner syndrome (TS). The morbidities in adult patients with TS are reviewed, including features of the metabolic syndrome, congenital and acquired cardiovascular conditions, osteopenia and osteoporosis, autoimmune thyroid disease, and obesity, and psychobehavioral issues are addressed, in terms of promoting the development of independent self-care and autonomy in adolescent patients. An essential component of high-quality health care, transition for adolescents with TS needs to be reengineered as a staged process initiated during early-stage adolescence (about age 12 years), when exogenous estrogen therapy is begun in coordination with the final phase of growth hormone therapy. At this time, the focus of care shifts from the parent to the adolescent and from maximizing final adult height to inducing puberty with gradually increasing doses of estrogen. During this transition, the development of healthful and independent healthcare behaviors should be promoted to prepare patients with TS for the adult responsibility of self-care. During the final phase of transition, an adult care plan should be formulated in collaboration with the adolescent with TS and her providers of adult care to improve the likelihood that she will continue to be carefully monitored in a way that optimizes her adult health and longevity. The transitional period from pediatrics to adulthood is the ideal time for patients with TS to be made aware of their health history and health needs and of the evolving impact of TS into adulthood.

Thermodynamic phase transitions for Pomeau-Manneville maps

NASA Astrophysics Data System (ADS)

Venegeroles, Roberto

2012-08-01

We study phase transitions in the thermodynamic description of Pomeau-Manneville intermittent maps from the point of view of infinite ergodic theory, which deals with diverging measure dynamical systems. For such systems, we use a distributional limit theorem to provide both a powerful tool for calculating thermodynamic potentials as also an understanding of the dynamic characteristics at each instability phase. In particular, topological pressure and Rényi entropy are calculated exactly for such systems. Finally, we show the connection of the distributional limit theorem with non-Gaussian fluctuations of the algorithmic complexity proposed by Gaspard and Wang [Proc. Natl. Acad. Sci. USA10.1073/pnas.85.13.4591 85, 4591 (1988)].

Field-induced spin density wave and spiral phases in a layered antiferromagnet

DOE PAGES

Stone, Matthew B.; Lumsden, Mark D.; Garlea, Vasile O.; ...

2015-07-28

Here we determine the low-field ordered magnetic phases of the S=1 dimerized antiferromagnet Ba 3Mn 2O 8 using single crystal neutron diffraction. We find that for magnetic fields between μ 0H=8.80 T and 10.56 T applied along themore » $$1\\bar{1}0$$ direction the system exhibits spin density wave order with incommensurate wave vectors of type (η,η,ε). For μ 0H > 10.56 T, the magnetic order changes to a spiral phase with incommensurate wave vectors only along the [hh0] direction. For both field induced ordered phases, the magnetic moments are lying in the plane perpendicular to the field direction. Finally, the nature of these two transitions is fundamentally different: the low-field transition is a second order transition to a spin-density wave ground state, while the one at higher field, toward the spiral phase, is of first order.« less

Self-organisation of semi-flexible rod-like particles

NASA Astrophysics Data System (ADS)

de Braaf, Bart; Oshima Menegon, Mariana; Paquay, Stefan; van der Schoot, Paul

2017-12-01

We report on a comprehensive computer simulation study of the liquid-crystal phase behaviour of purely repulsive, semi-flexible rod-like particles. For the four aspect ratios we consider, the particles form five distinct phases depending on their packing fraction and bending flexibility: the isotropic, nematic, smectic A, smectic B, and crystal phase. Upon increasing the particle bending flexibility, the various phase transitions shift to larger packing fractions. Increasing the aspect ratio achieves the opposite effect. We find two different ways in which the layer thickness of the particles in the smectic A phase may respond to an increase in concentration. The layer thickness may either decrease or increase depending on the aspect ratio and flexibility. For the smectic B and the crystalline phases, increasing the concentration always decreases the layer thickness. Finally, we find that the layer spacing jumps to a larger value on transitioning from the smectic A phase to the smectic B phase.

Rheo-NMR Measurements of Cocoa Butter Crystallized Under

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mudge, E.; Mazzanti, G

2009-01-01

Modifications of a benchtop NMR instrument were made to apply temperature control to a shearing NMR cell. This has enabled the determination in situ of the solid fat content (SFC) of cocoa butter under shearing conditions. The cocoa butter was cooled at 3 C/min to three final temperatures of 17.5, 20.0, and 22.5 C with applied shear rates between 45 and 720 s-1. Polymorphic transitions of the cocoa butter were determined using synchrotron X-ray diffraction with an identical shearing system constructed of Lexan. Sheared samples were shown to have accelerated phase transitions compared to static experiments. In experiments where formmore » V was confirmed to be the dominant polymorph, the final SFC averaged around 50%. However, when other polymorphic forms were formed, a lower SFC was measured because the final temperature was within the melting range of that polymorph and only partial crystallization happened. A shear rate of 720 s-1 delayed phase transitions, likely due to viscous heating of the sample. Pulsed NMR is an invaluable tool for determining the crystalline fraction in hydrogen containing materials, yet its use for fundamental and industrial research on fat or alkanes crystallization under shear has only recently been developed.« less

Calculation of the absolute free energy of a smectic-A phase

NASA Astrophysics Data System (ADS)

Huang, Chien-Cheng; Ramachandran, Sanoop; Ryckaert, Jean-Paul

2014-12-01

In this paper, we provide a scheme to compute the absolute free energy of a smectic-A phase via the "indirect method." The state of interest is connected through a three-step reversible path to a reference state. This state consists of a low-density layer of rods coupled to two external fields maintaining these rods close to the layer's plane and oriented preferably normal to the layer. The low-density free energy of the reference state can be computed on the basis of the relevant second virial coefficients between two rods coupled to the two external fields. We apply this technique to the Gay-Berne potential for calamitics with a parameter set leading to stable isotropic (I), nematic (N), smectic-A (SmA), and crystal (Cr) phases. We locate the I-SmA phase transition at low pressure and the sequence of phase transitions I-N-SmA along higher-pressure isobars and we establish the location of the I-N-SmA triple point. Close to this triple point, we show that the N-SmA transition is clearly first order. Our results are compared to the coexistence lines of the approximate phase diagram elucidated by de Miguel et al. [J. Chem. Phys. 121, 11183 (2004), 10.1063/1.1810472] established through the direct observation of the sequence of phase transitions occurring along isobars under heating or cooling sequences of runs. Finally, we discuss the potential of our technique in studying similar transitions observed on layered phases under confinement.

Phase transitions in samarium at high pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, W.Y.; Lin, T.H.; Dunn, K.J.

1987-01-15

The electrical behavior of Sm was studied for pressures up to 43 GPa and temperatures from 430 down to 2 K. The two Neel temperatures at ambient pressure are found to move toward each other as the pressure increases and finally merge into one at the dhcp phase. At room temperature, we found that Sm transforms to a new phase, presumably fcc, at about 12 GPa. The phase line between the dhcp and the new phase appears to tie with the cusp of the bcc phase line.

A continuum theoretical model and finite elements simulation of bacterial flagellar filament phase transition.

PubMed

Wang, Xiaoling; Meng, Shuo; Han, Jingshi

2017-10-03

The Bacterial flagellar filament can undergo a polymorphic phase transition in response to both mechanical and chemical variations in vitro and in vivo environments. Under mechanical stimuli, such as viscous flow or forces induced by motor rotation, the filament changes its phase from left-handed normal (N) to right-handed semi-coiled (SC) via phase nucleation and growth. Our detailed mechanical analysis of existing experiments shows that both torque and bending moment contribute to the filament phase transition. In this paper, we establish a non-convex and non-local continuum model based on the Ginzburg-Landau theory to describe main characteristics of the filament phase transition such as new-phase nucleation, growth, propagation and the merging of neighboring interfaces. The finite element method (FEM) is adopted to simulate the phase transition under a displacement-controlled loading condition (rotation angle and bending deflection). We show that new-phase nucleation corresponds to the maximum torque and bending moment at the stuck end of the filament. The hysteresis loop in the loading and unloading curves indicates energy dissipation. When the new phase grows and propagates, torque and bending moment remain static. We also find that there is a drop in load when the two interfaces merge, indicating a concomitant reduction in the interfacial energy. Finally, the interface thickness is governed by the coefficients of the gradient of order parameters in the non-local interface energy. Our continuum theory and the finite element method provide a method to study the mechanical behavior of such biomaterials. Copyright © 2017 Elsevier Ltd. All rights reserved.

Identifying QCD Transition Using Deep Learning

NASA Astrophysics Data System (ADS)

Zhou, Kai; Pang, Long-gang; Su, Nan; Petersen, Hannah; Stoecker, Horst; Wang, Xin-Nian

2018-02-01

In this proceeding we review our recent work using supervised learning with a deep convolutional neural network (CNN) to identify the QCD equation of state (EoS) employed in hydrodynamic modeling of heavy-ion collisions given only final-state particle spectra ρ(pT, V). We showed that there is a traceable encoder of the dynamical information from phase structure (EoS) that survives the evolution and exists in the final snapshot, which enables the trained CNN to act as an effective "EoS-meter" in detecting the nature of the QCD transition.

Numerical modeling of polymorphic transformation of oleic acid via near-infrared spectroscopy and factor analysis.

PubMed

Liu, Ling; Cheng, Yuliang; Sun, Xiulan; Pi, Fuwei

2018-05-15

Near-infrared (NIR) spectroscopy as a tool for direct and quantitatively screening the minute polymorphic transitions of bioactive fatty acids was assessed basing on a thermal heating process of oleic acid. Temperature-dependent NIR spectral profiles indicate that dynamical variances of COOH group dominate its γ → α phase transition, while the transition from active α to β phase mainly relates to the conformational transfer of acyl chain. Through operating multivariate curve resolution-alternating least squares with factor analysis, instantaneous contribution of each active polymorph during the transition process was illustrated for displaying the progressive evolutions of functional groups. Calculated contributions reveal that the α phase of oleic acid initially is present at around -18 °C, but sharply grows up around -2.2 °C from the transformation of γ phase and finally disappears at the melting point. On the other hand, the β phase of oleic acid is sole self-generation after melt even it embryonically appears at -2.2 °C. Such mathematical approach based on NIR spectroscopy and factor analysis calculation provides a volatile strategy in quantitatively exploring the transition processes of bioactive fatty acids; meanwhile, it maintains promising possibility for instantaneous quantifying each active polymorph of lipid materials. Copyright © 2018 Elsevier B.V. All rights reserved.

Mode selection of magneto-Rayleigh-Taylor instability from the point of view of Landau phase transition theory

NASA Astrophysics Data System (ADS)

Dan, Jia Kun; Huang, Xian Bin; Ren, Xiao Dong; Wei, Bing

2017-08-01

A theoretical model referring to mode selection of Z-pinch-driven magneto-Rayleigh-Taylor (MRT) instability, which explains the generation of fundamental instability mode and evolution of fundamental wavelength in experiments, is proposed on the basis of the Landau theory of phase transition. The basic idea of this phase transition model lies in that the appearance of MRT instability pattern can be considered as a consequence of the spontaneous generation of interfacial structure like the spontaneous magnetization in a ferromagnetic system. It is demonstrated that the amplitude of instability is responsible for the order parameter in the Landau theory of phase transition and the fundamental wavelength appears to play a role analogous to inverse temperature in thermodynamics. Further analysis indicates that the MRT instability is characterized by first order phase transition and the fundamental wavelength is proportional to the square root of energy entering into the system from the driving source. The theory predicts that the fundamental wavelength grows rapidly and saturates reaching a limiting wavelength of the order of the liner's final outer radius. The results given by this theory show qualitative agreement with the available experimental data of MRT instability of liner implosions conducted on the Sandia Z machine as well as Primary Test Stand facility at the Institute of Fluid Physics.

Numerical modeling of polymorphic transformation of oleic acid via near-infrared spectroscopy and factor analysis

NASA Astrophysics Data System (ADS)

Liu, Ling; Cheng, Yuliang; Sun, Xiulan; Pi, Fuwei

2018-05-01

Near-infrared (NIR) spectroscopy as a tool for direct and quantitatively screening the minute polymorphic transitions of bioactive fatty acids was assessed basing on a thermal heating process of oleic acid. Temperature-dependent NIR spectral profiles indicate that dynamical variances of COOH group dominate its γ → α phase transition, while the transition from active α to β phase mainly relates to the conformational transfer of acyl chain. Through operating multivariate curve resolution-alternating least squares with factor analysis, instantaneous contribution of each active polymorph during the transition process was illustrated for displaying the progressive evolutions of functional groups. Calculated contributions reveal that the α phase of oleic acid initially is present at around -18 °C, but sharply grows up around -2.2 °C from the transformation of γ phase and finally disappears at the melting point. On the other hand, the β phase of oleic acid is sole self-generation after melt even it embryonically appears at -2.2 °C. Such mathematical approach based on NIR spectroscopy and factor analysis calculation provides a volatile strategy in quantitatively exploring the transition processes of bioactive fatty acids; meanwhile, it maintains promising possibility for instantaneous quantifying each active polymorph of lipid materials.

Critical behavior and phase transition of dilaton black holes with nonlinear electrodynamics

NASA Astrophysics Data System (ADS)

Dayyani, Z.; Sheykhi, A.; Dehghani, M. H.; Hajkhalili, S.

2018-02-01

In this paper, we take into account the dilaton black hole solutions of Einstein gravity in the presence of logarithmic and exponential forms of nonlinear electrodynamics. First of all, we consider the cosmological constant and nonlinear parameter as thermodynamic quantities which can vary. We obtain thermodynamic quantities of the system such as pressure, temperature and Gibbs free energy in an extended phase space. We complete the analogy of the nonlinear dilaton black holes with the Van der Waals liquid-gas system. We work in the canonical ensemble and hence we treat the charge of the black hole as an external fixed parameter. Moreover, we calculate the critical values of temperature, volume and pressure and show that they depend on the dilaton coupling constant as well as on the nonlinear parameter. We also investigate the critical exponents and find that they are universal and independent of the dilaton and nonlinear parameters, which is an expected result. Finally, we explore the phase transition of nonlinear dilaton black holes by studying the Gibbs free energy of the system. We find that in the case of T>T_c, we have no phase transition. When T=T_c, the system admits a second-order phase transition, while for T=T_f

First-principles interatomic potentials for transition-metal aluminides. III. Extension to ternary phase diagrams

NASA Astrophysics Data System (ADS)

Widom, Mike; Al-Lehyani, Ibrahim; Moriarty, John A.

2000-08-01

Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B 56, 7905 (1997); 58, 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides using generalized pseudopotential theory (GPT). Those papers focused on binary alloys of aluminum with first-row transition metals and assessed the ability of GPT potentials to reproduce and elucidate the alloy phase diagrams of Al-Co and Al-Ni. This paper addresses the phase diagrams of the binary alloy Al-Cu and the ternary systems Al-Co-Cu and Al-Co-Ni, using GPT pair potentials calculated in the limit of vanishing transition-metal concentration. Despite this highly simplifying approximation, we find rough agreement with the known low-temperature phase diagrams, up to 50% total TM concentration provided the Co fraction is below 25%. Full composition-dependent potentials and many-body interactions would be required to correct deficiencies at higher Co concentration. Outside this troublesome region, the experimentally determined stable and metastable phases all lie on or near the convex hull of a scatter plot of energy versus composition. We verify, qualitatively, reported solubility ranges extending binary alloys into the ternary diagram in both Al-Co-Cu and Al-Co-Ni. Finally, we reproduce previously conjectured transition-metal positions in the decagonal quasicrystal phase.

Magnetostructural phase transitions and magnetocaloric effect in (Gd 5-xSc x)Si 1.8Ge 2.2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rudolph, Kirk; Pathak, Arjun K.; Mudryk, Yaroslav

Future advancements in magnetocaloric refrigeration/heat pumping technologies depend on the discovery of new materials that demonstrate large, tunable magnetocaloric effects (MCEs) in the vicinity of coupled magnetic and structural phase transitions that occur reversibly with minimum hysteresis. Here, with this in mind, we investigate phase transitions, microstructure, magnetic, thermal, magnetocaloric, and transport properties of (Gd 5-xSc x)Si 1.8Ge 2.2 compounds. Replacement of magnetic Gd with non-magnetic Sc in Gd 5-xSc xSi 1.8Ge 2.2 increases the ferromagnetic to paramagnetic first order phase transition temperature, T C, with only a minor reduction in MCE when x ≤ 0.2. We also demonstrate thatmore » hydrostatic pressure further increases T C and reduces the hysteresis of the first order phase transition in Gd 4.8Sc 0.2Si 1.8Ge 2.2 from 7 to 4 K. Temperature-dependent x-ray powder diffraction study of Gd 4.8Sc 0.2Si 1.8Ge 2.2 confirms the monoclinic ↔ orthorhombic structural transformation at T C, in agreement with magnetic, calorimetric, and electrical transport measurements. In addition to the substantial magnetocaloric effect, a large magnetoresistance of ~20% is also observed in Gd 4.8Sc 0.2Si 1.8Ge 2.2 for ΔH = 50 kOe in the vicinity of the magnetostructural transition. Finally, in a drastic reversal of the initial doping behavior further additions of Sc (x > 0.2) suppress formation of the monoclinic phase, change the nature of the transition from first-to second-order, and reduce both the transition temperature and magnetocaloric effect.« less

Magnetostructural phase transitions and magnetocaloric effect in (Gd 5-xSc x)Si 1.8Ge 2.2

DOE PAGES

Rudolph, Kirk; Pathak, Arjun K.; Mudryk, Yaroslav; ...

2017-12-21

Future advancements in magnetocaloric refrigeration/heat pumping technologies depend on the discovery of new materials that demonstrate large, tunable magnetocaloric effects (MCEs) in the vicinity of coupled magnetic and structural phase transitions that occur reversibly with minimum hysteresis. Here, with this in mind, we investigate phase transitions, microstructure, magnetic, thermal, magnetocaloric, and transport properties of (Gd 5-xSc x)Si 1.8Ge 2.2 compounds. Replacement of magnetic Gd with non-magnetic Sc in Gd 5-xSc xSi 1.8Ge 2.2 increases the ferromagnetic to paramagnetic first order phase transition temperature, T C, with only a minor reduction in MCE when x ≤ 0.2. We also demonstrate thatmore » hydrostatic pressure further increases T C and reduces the hysteresis of the first order phase transition in Gd 4.8Sc 0.2Si 1.8Ge 2.2 from 7 to 4 K. Temperature-dependent x-ray powder diffraction study of Gd 4.8Sc 0.2Si 1.8Ge 2.2 confirms the monoclinic ↔ orthorhombic structural transformation at T C, in agreement with magnetic, calorimetric, and electrical transport measurements. In addition to the substantial magnetocaloric effect, a large magnetoresistance of ~20% is also observed in Gd 4.8Sc 0.2Si 1.8Ge 2.2 for ΔH = 50 kOe in the vicinity of the magnetostructural transition. Finally, in a drastic reversal of the initial doping behavior further additions of Sc (x > 0.2) suppress formation of the monoclinic phase, change the nature of the transition from first-to second-order, and reduce both the transition temperature and magnetocaloric effect.« less

Evolution of critical pressure with increasing Fe substitution in the heavy-fermion system URu 2 - x Fe x Si 2

DOE PAGES

Wolowiec, C. T.; Kanchanavatee, N.; Huang, K.; ...

2016-08-29

Measurements of electrical resistivity, ρ(T ), were performed under quasihydrostatic pressure up to P ~ 2.2 GPa to determine the pressure dependence of the so-called hidden order (HO) and large-moment antiferromagnetic (LMAFM) phases for the URu 2-xFexSi2 system with x = 0.025, 0.05, 0.10, 0.15, and 0.20. As the Fe concentration (x) is increased, we observed that a smaller amount of external pressure, P c, is required to induce the HO → LMAFM phase transition. A critical pressure of P c ~ 1.2 GPa at x = 0.025 reduces to P c ~ 0 at x = 0.15, suggesting themore » URu 2-xFe xSi 2 system is fully expressed in the LMAFM phase for x ≥ x* c = 0.15, where x * c denotes the ambient pressure critical concentration of Fe. Furthermore, when using a bulk modulus calculation to convert x to chemical pressure, P ch(x), we consistently found that the induced HO → LMAFM phase transition occurred at various combinations of x c and P c such that P ch(x c) + P c ≈ 1.5 GPa, where xc denotes those critical concentrations of Fe that induce the HO→LMAFM phase transition for the URu 2-xFe xSi 2 compounds under pressure. We performed exponential fits of ρ(T ) in the HO and LMAFM phases in order to determine the pressure dependence of the energy gap, , that opens over part of the Fermi surface in the transition from the paramagnetic (PM) phase to the HO/LMAFM phase at the transition temperature, T 0. Finally, this change in the pressure variation of Δ(P) at the HO→LMAFM phase transition is consistent with the values of P c determined from the T 0(P) phase lines at the PM→HO/LMAFM transition.« less

Candidate Elastic Quantum Critical Point in LaCu 6 - x Au x

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poudel, Lekh; May, Andrew F.; Koehler, Michael R.

2016-11-30

In this paper, the structural properties of LaCu 6-xAu x are studied using neutron diffraction, x-ray diffraction, and heat capacity measurements. The continuous orthorhombic-monoclinic structural phase transition in LaCu 6 is suppressed linearly with Au substitution until a complete suppression of the structural phase transition occurs at the critical composition x c=0.3. Heat capacity measurements at low temperatures indicate residual structural instability at x c. The instability is ferroelastic in nature, with density functional theory calculations showing negligible coupling to electronic states near the Fermi level. Finally, the data and calculations presented here are consistent with the zero temperature terminationmore » of a continuous structural phase transition suggesting that the LaCu 6-xAu x series hosts an elastic quantum critical point.« less

Digital herders and phase transition in a voting model

NASA Astrophysics Data System (ADS)

Hisakado, M.; Mori, S.

2011-07-01

In this paper, we discuss a voting model with two candidates, C1 and C2. We set two types of voters—herders and independents. The voting of independent voters is based on their fundamental values; on the other hand, the voting of herders is based on the number of votes. Herders always select the majority of the previous r votes, which are visible to them. We call them digital herders. We can accurately calculate the distribution of votes for special cases. When r >= 3, we find that a phase transition occurs at the upper limit of t, where t is the discrete time (or number of votes). As the fraction of herders increases, the model features a phase transition beyond which a state where most voters make the correct choice coexists with one where most of them are wrong. On the other hand, when r < 3, there is no phase transition. In this case, the herders' performance is the same as that of the independent voters. Finally, we recognize the behavior of human beings by conducting simple experiments.

Machine learning vortices at the Kosterlitz-Thouless transition

NASA Astrophysics Data System (ADS)

Beach, Matthew J. S.; Golubeva, Anna; Melko, Roger G.

2018-01-01

Efficient and automated classification of phases from minimally processed data is one goal of machine learning in condensed-matter and statistical physics. Supervised algorithms trained on raw samples of microstates can successfully detect conventional phase transitions via learning a bulk feature such as an order parameter. In this paper, we investigate whether neural networks can learn to classify phases based on topological defects. We address this question on the two-dimensional classical XY model which exhibits a Kosterlitz-Thouless transition. We find significant feature engineering of the raw spin states is required to convincingly claim that features of the vortex configurations are responsible for learning the transition temperature. We further show a single-layer network does not correctly classify the phases of the XY model, while a convolutional network easily performs classification by learning the global magnetization. Finally, we design a deep network capable of learning vortices without feature engineering. We demonstrate the detection of vortices does not necessarily result in the best classification accuracy, especially for lattices of less than approximately 1000 spins. For larger systems, it remains a difficult task to learn vortices.

Long-term oxidization and phase transition of InN nanotextures

PubMed Central

2011-01-01

The long-term (6 months) oxidization of hcp-InN (wurtzite, InN-w) nanostructures (crystalline/amorphous) synthesized on Si [100] substrates is analyzed. The densely packed layers of InN-w nanostructures (5-40 nm) are shown to be oxidized by atmospheric oxygen via the formation of an intermediate amorphous In-Ox-Ny (indium oxynitride) phase to a final bi-phase hcp-InN/bcc-In2O3 nanotexture. High-resolution transmission electron microscopy, energy-dispersive X-ray spectroscopy, electron energy loss spectroscopy and selected area electron diffraction are used to identify amorphous In-Ox-Ny oxynitride phase. When the oxidized area exceeds the critical size of 5 nm, the amorphous In-Ox-Ny phase eventually undergoes phase transition via a slow chemical reaction of atomic oxygen with the indium atoms, forming a single bcc In2O3 phase. PMID:21711908

Singlet-catalyzed electroweak phase transitions in the 100 TeV frontier

DOE PAGES

Kotwal, Ashutosh V.; Ramsey-Musolf, Michael J.; No, Jose Miguel; ...

2016-08-23

We study the prospects for probing a gauge singlet scalar-driven strong first-order electroweak phase transition with a future proton-proton collider in the 100 TeV range. Singlet-Higgs mixing enables resonantly enhanced di-Higgs production, potentially aiding discovery prospects. We perform Monte Carlo scans of the parameter space to identify regions associated with a strong first-order electroweak phase transition, analyze the corresponding di-Higgs signal, and select a set of benchmark points that span the range of di-Higgs signal strengths. For the bmore » $$\\bar{b}$$γγ and 4τ final states, we investigate discovery prospects for each benchmark point for the high-luminosity phase of the Large Hadron Collider and for a future pp collider with s=50, 100, or 200 TeV. We find that any of these future collider scenarios could significantly extend the reach beyond that of the high-luminosity LHC, and that with s=100 TeV (200 TeV) and 30 ab -1, the full region of parameter space favorable to strong first-order electroweak phase transitions is almost fully (fully) discoverable.« less

Phase Transitions in the Nucleus: the functional implications of concentration-dependent assembly of a Liquid-like RNA/Protein Body

NASA Astrophysics Data System (ADS)

Zhu, Lian; Weber, Stephanie; Berry, Joel; Vaidya, Nilesh; Haataja, Mikko; Brangwynne, Clifford

2015-03-01

The nucleolus is a liquid-like membrane-less nuclear body which plays an important role in cell growth and size control. By modulating nucleolar component concentration through RNAi conditions that change C. elegans cell size, we find that nucleoli only assemble above a threshold concentration; moreover, the ripening dynamics of nucleated droplets are consistent with the hypothesis that the assembly of the nucleolus represents an intracellular liquid-liquid phase transition. A key question is how this phase-transition is linked to the primary function of the nucleolus, in transcribing and processing ribosomal RNA. To address this, we characterize the localization of RNA Polymerase I, a key transcriptional enzyme, into nucleolar foci as a function of nucleolar component concentration. Our results suggest that there are a small number of key disordered phosphoproteins that may serve as a link between transcription and assembly. Finally, we present preliminary results using a reduced model system consisting of purified nucleolar proteins to assess the ability of nucleolar proteins to drive liquid-liquid phase separation in vitro. These results lay the foundation for a quantitative understanding of intracellular phase transitions and their impact on biomedically-critical RNA-processing steps.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jae Wook; Artyukhin, Sergei; Mun, Eun Deok

In this paper, we report the discovery of a metamagnetic phase transition in a polar antiferromagnet Ni 3TeO 6 that occurs at 52 T. The new phase transition accompanies a colossal magnetoelectric effect, with a magnetic-field-induced polarization change of 0.3 μC/cm 2, a value that is 4 times larger than for the spin-flop transition at 9 T in the same material, and also comparable to the largest magnetically induced polarization changes observed to date. Via density-functional calculations we construct a full microscopic model that describes the data. We model the spin structures in all fields and clarify the physics behindmore » the 52 T transition. The high-field transition involves a competition between multiple different exchange interactions which drives the polarization change through the exchange-striction mechanism. Finally, the resultant spin structure is rather counterintuitive and complex, thus providing new insights on design principles for materials with strong magnetoelectric coupling.« less

Stochastic dynamics for reinfection by transmitted diseases

NASA Astrophysics Data System (ADS)

Barros, Alessandro S.; Pinho, Suani T. R.

2017-06-01

The use of stochastic models to study the dynamics of infectious diseases is an important tool to understand the epidemiological process. For several directly transmitted diseases, reinfection is a relevant process, which can be expressed by endogenous reactivation of the pathogen or by exogenous reinfection due to direct contact with an infected individual (with smaller reinfection rate σ β than infection rate β ). In this paper, we examine the stochastic susceptible, infected, recovered, infected (SIRI) model simulating the endogenous reactivation by a spontaneous reaction, while exogenous reinfection by a catalytic reaction. Analyzing the mean-field approximations of a site and pairs of sites, and Monte Carlo (MC) simulations for the particular case of exogenous reinfection, we obtained continuous phase transitions involving endemic, epidemic, and no transmission phases for the simple approach; the approach of pairs is better to describe the phase transition from endemic phase (susceptible, infected, susceptible (SIS)-like model) to epidemic phase (susceptible, infected, and removed or recovered (SIR)-like model) considering the comparison with MC results; the reinfection increases the peaks of outbreaks until the system reaches endemic phase. For the particular case of endogenous reactivation, the approach of pairs leads to a continuous phase transition from endemic phase (SIS-like model) to no transmission phase. Finally, there is no phase transition when both effects are taken into account. We hope the results of this study can be generalized for the susceptible, exposed, infected, and removed or recovered (SEIRIE) model, for which the state exposed (infected but not infectious), describing more realistically transmitted diseases such as tuberculosis. In future work, we also intend to investigate the effect of network topology on phase transitions when the SIRI model describes both transmitted diseases (σ <1 ) and social contagions (σ >1 ).

Fluctuation-induced continuous transition and quantum criticality in Dirac semimetals

DOE PAGES

Classen, Laura; Herbut, Igor F.; Scherer, Michael M.

2017-09-20

In this paper, we establish a scenario where fluctuations of new degrees of freedom at a quantum phase transition change the nature of a transition beyond the standard Landau-Ginzburg paradigm. To this end, we study the quantum phase transition of gapless Dirac fermions coupled to a Z 3 symmetric order parameter within a Gross-Neveu-Yukawa model in 2+1 dimensions, appropriate for the Kekulé transition in honeycomb lattice materials. For this model, the standard Landau-Ginzburg approach suggests a first-order transition due to the symmetry-allowed cubic terms in the action. At zero temperature, however, quantum fluctuations of the massless Dirac fermions have tomore » be included. We show that they reduce the putative first-order character of the transition and can even render it continuous, depending on the number of Dirac fermions N f. A nonperturbative functional renormalization group approach is employed to investigate the phase transition for a wide range of fermion numbers and we obtain the critical N f, where the nature of the transition changes. Furthermore, it is shown that for large N f the change from the first to second order of the transition as a function of dimension occurs exactly in the physical 2+1 dimensions. Finally, we compute the critical exponents and predict sizable corrections to scaling for N f = 2.« less

Dynamic Stacking Pathway of Perylene Dimers in Aromatic and Nonaromatic Solvents.

PubMed

Hollfelder, Manuel; Gekle, Stephan

2015-08-13

Using molecular dynamics simulations, we elucidate in detail the dynamics of the π-π stacking process of a perylene bisimide (PBI) dimer solvated in toluene. Our calculations show that the transition from the open (unstacked) to the stacked configuration is hindered by a small free energy barrier of approximately 1kBT in toluene but not in the nonaromatic solvent hexane. A similar effect is observed tor two non-covalently linked monomers. The origin of this barrier is traced back to π-π interactions between perylene and the aromatic solvent which are very similar in nature to those between two PBI monomers. The stacking process proceeds in three phases via two well-defined transition states: (i) in the first phase, the two PBI molecules share part of their respective solvation shells forming the first transition state. Further approach needs to squeeze out the shared solvent layer, thus creating the energy barrier. (ii) After removal of the separating solvent, the two PBIs form a second transition state with one monomer located at a random position in the other's solvation shell. (iii) Finally, the two PBIs slide on top of each other into their final stacked position.

Trajectory Design Enhancements to Mitigate Risk for the Transiting Exoplanet Survey Satellite (TESS)

NASA Technical Reports Server (NTRS)

Dichmann, Donald; Parker, Joel; Nickel, Craig; Lutz, Stephen

2016-01-01

The Transiting Exoplanet Survey Satellite (TESS) will employ a highly eccentric Earth orbit, in 2:1 lunar resonance, which will be reached with a lunar flyby preceded by 3.5 phasing loops. The TESS mission has limited propellant and several constraints on the science orbit and on the phasing loops. Based on analysis and simulation, we have designed the phasing loops to reduce delta-V (DV) and to mitigate risk due to maneuver execution errors. We have automated the trajectory design process and use distributed processing to generate and optimal nominal trajectories; to check constraint satisfaction; and finally to model the effects of maneuver errors to identify trajectories that best meet the mission requirements.

Layer Anti-Ferromagnetism on Bilayer Honeycomb Lattice

PubMed Central

Tao, Hong-Shuai; Chen, Yao-Hua; Lin, Heng-Fu; Liu, Hai-Di; Liu, Wu-Ming

2014-01-01

Bilayer honeycomb lattice, with inter-layer tunneling energy, has a parabolic dispersion relation, and the inter-layer hopping can cause the charge imbalance between two sublattices. Here, we investigate the metal-insulator and magnetic phase transitions on the strongly correlated bilayer honeycomb lattice by cellular dynamical mean-field theory combined with continuous time quantum Monte Carlo method. The procedures of magnetic spontaneous symmetry breaking on dimer and non-dimer sites are different, causing a novel phase transition between normal anti-ferromagnet and layer anti-ferromagnet. The whole phase diagrams about the magnetism, temperature, interaction and inter-layer hopping are obtained. Finally, we propose an experimental protocol to observe these phenomena in future optical lattice experiments. PMID:24947369

Presence of Peierls pairing and absence of insulator-to-metal transition in VO2 (A): a structure-property relationship study.

PubMed

Popuri, S R; Artemenko, A; Decourt, R; Villesuzanne, A; Pollet, M

2017-03-01

Layered vanadium oxides have been extensively explored due to their interesting metal-insulator transitions and energy conversion/storage applications. In the present study, we have successfully synthesized VO 2 (A) polymorph powder samples by a single-step hydrothermal synthesis process and consolidated them using spark plasma sintering. The structural and electronic properties of VO 2 (A) are measured over a large temperature range from liquid helium, across the structural transition (400-440 K) and up to 500 K. The structural analysis around this transition reveals an antiferrodistorsive to partially ferrodistorsive ordering upon cooling. It is followed by a progressive antiferromagnetic spin pairing which fully settles at about 150 K. The transport measurements show that, in contrast to the rutile archetype VO 2 (R/M1), the structural transition comes with a transition from semiconductor to band-type insulator. Under these circumstances, we propose a scenario with a high temperature antiferrodistorsive paramagnetic semiconducting phase, followed by an intermediate regime with a partially ferrodistorsive paramagnetic semiconducting phase, and finally a low temperature partially ferrodistorsive antiferromagnetic band insulator phase with a possible V-V Peierls-type pairing.

Diffusion paths formation for Cu + ions in superionic Cu 6PS 5I single crystals studied in terms of structural phase transition

NASA Astrophysics Data System (ADS)

Gągor, A.; Pietraszko, A.; Kaynts, D.

2005-11-01

In order to understand the structural transformations leading to high ionic conductivity of Cu + ions in Cu 6PS 5I argyrodite compound, the detailed structure analysis based on single-crystal X-ray diffraction has been performed. Below the phase transition at T=(144-169) K Cu 6PS 5I belongs to monoclinic, ferroelastic phase (space group Cc) with ordered copper sublattice. Above Tc delocalization of copper ions begins and crystal changes the symmetry to cubic superstructure with space group F-43 c ( a'=19.528 Å, z=32). Finally, above T1=274 K increasing disordering of the Cu + ions heightens the symmetry to F-43 m ( a=9.794 Å, z=4). In this work, the final structural model of two cubic phases is presented including the detailed temperature evolution of positions and site occupation factors of copper ions ( R1=0.0397 for F-43 c phase, and 0.0245 for F-43 m phase). Possible diffusion paths for the copper ions are represented by means of the atomic displacement factors and split model. The structural results coincide well with the previously reported non-Arrhenius behavior of conductivity and indicate significant change in conduction mechanism.

Study on Stress Development in the Phase Transition Layer of Thermal Barrier Coatings

PubMed Central

Chai, Yijun; Lin, Chen; Wang, Xian; Li, Yueming

2016-01-01

Stress development is one of the significant factors leading to the failure of thermal barrier coating (TBC) systems. In this work, stress development in the two phase mixed zone named phase transition layer (PTL), which grows between the thermally grown oxide (TGO) and the bond coat (BC), is investigated by using two different homogenization models. A constitutive equation of the PTL based on the Reuss model is proposed to study the stresses in the PTL. The stresses computed with the proposed constitutive equation are compared with those obtained with Voigt model-based equation in detail. The stresses based on the Voigt model are slightly higher than those based on the Reuss model. Finally, a further study is carried out to explore the influence of phase transition proportions on the stress difference caused by homogenization models. Results show that the stress difference becomes more evident with the increase of the PTL thickness ratio in the TGO. PMID:28773894

Successive Magnetic-Field-Induced Transitions and Colossal Magnetoelectric Effect in Ni 3 TeO 6

DOE PAGES

Kim, Jae Wook; Artyukhin, Sergei; Mun, Eun Deok; ...

2015-09-24

In this paper, we report the discovery of a metamagnetic phase transition in a polar antiferromagnet Ni 3TeO 6 that occurs at 52 T. The new phase transition accompanies a colossal magnetoelectric effect, with a magnetic-field-induced polarization change of 0.3 μC/cm 2, a value that is 4 times larger than for the spin-flop transition at 9 T in the same material, and also comparable to the largest magnetically induced polarization changes observed to date. Via density-functional calculations we construct a full microscopic model that describes the data. We model the spin structures in all fields and clarify the physics behindmore » the 52 T transition. The high-field transition involves a competition between multiple different exchange interactions which drives the polarization change through the exchange-striction mechanism. Finally, the resultant spin structure is rather counterintuitive and complex, thus providing new insights on design principles for materials with strong magnetoelectric coupling.« less

Study of the solid-state amorphization of (GaSb){sub 1-x}Ge{sub x} semiconductors by real-time neutron diffraction and electron microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fedotov, V. K., E-mail: fedotov@issp.ac.ru; Ponyatovsky, E. G.

2011-12-15

The spontaneous amorphization of high-pressure quenched phases of the GaSb-Ge system has been studied by neutron diffraction while slowly heating the phases at atmospheric pressure. The sequence of changes in the structural parameters of the initial crystalline phase and the final amorphous phase is established. The behavior of the phases and the correlation in the structural features of the phase transitions and anomalous thermal effects exhibit signs of the inhomogeneous model of solid-state amorphization.

Dynamical phase transitions at finite temperature from fidelity and interferometric Loschmidt echo induced metrics

NASA Astrophysics Data System (ADS)

Mera, Bruno; Vlachou, Chrysoula; Paunković, Nikola; Vieira, Vítor R.; Viyuela, Oscar

2018-03-01

We study finite-temperature dynamical quantum phase transitions (DQPTs) by means of the fidelity and the interferometric Loschmidt echo (LE) induced metrics. We analyze the associated dynamical susceptibilities (Riemannian metrics), and derive analytic expressions for the case of two-band Hamiltonians. At zero temperature, the two quantities are identical, nevertheless, at finite temperatures they behave very differently. Using the fidelity LE, the zero-temperature DQPTs are gradually washed away with temperature, while the interferometric counterpart exhibits finite-temperature phase transitions. We analyze the physical differences between the two finite-temperature LE generalizations, and argue that, while the interferometric one is more sensitive and can therefore provide more information when applied to genuine quantum (microscopic) systems, when analyzing many-body macroscopic systems, the fidelity-based counterpart is a more suitable quantity to study. Finally, we apply the previous results to two representative models of topological insulators in one and two dimensions.

Echoes of the electroweak phase transition: discovering a second Higgs doublet through A0→ZH0.

PubMed

Dorsch, G C; Huber, S J; Mimasu, K; No, J M

2014-11-21

The existence of a second Higgs doublet in nature could lead to a cosmological first-order electroweak phase transition and explain the origin of the matter-antimatter asymmetry in the Universe. We obtain the spectrum and properties of the new scalars H0, A0, and H(±) that signal such a phase transition and show that the observation of the decay A0→ZH0 at LHC would be a "smoking gun" signature of these scenarios. We analyze the LHC search prospects for this decay in the ℓℓbb and ℓℓW(+)W(-) final states, arguing that current data may be sensitive to this signature in the former channel as well as there being great potential for a discovery in either channel at the very early stages of the 14 TeV run.

Sensitivity study of experimental measures for the nuclear liquid-gas phase transition in the statistical multifragmentation model

NASA Astrophysics Data System (ADS)

Lin, W.; Ren, P.; Zheng, H.; Liu, X.; Huang, M.; Wada, R.; Qu, G.

2018-05-01

The experimental measures of the multiplicity derivatives—the moment parameters, the bimodal parameter, the fluctuation of maximum fragment charge number (normalized variance of Zmax, or NVZ), the Fisher exponent (τ ), and the Zipf law parameter (ξ )—are examined to search for the liquid-gas phase transition in nuclear multifragmention processes within the framework of the statistical multifragmentation model (SMM). The sensitivities of these measures are studied. All these measures predict a critical signature at or near to the critical point both for the primary and secondary fragments. Among these measures, the total multiplicity derivative and the NVZ provide accurate measures for the critical point from the final cold fragments as well as the primary fragments. The present study will provide a guide for future experiments and analyses in the study of the nuclear liquid-gas phase transition.

Thermal fluctuations of dilaton black holes in gravity's rainbow

NASA Astrophysics Data System (ADS)

Dehghani, M.

2018-06-01

In this work, thermodynamics and phase transition of some new dilaton black hole solutions have been explored in the presence of the rainbow functions. By introducing an energy dependent space time, the dilaton potential has been obtained as the linear combination of two Liouville-type potentials and three new classes of black hole solutions have been constructed. The conserved and thermodynamic quantities of the new dilaton black holes have been calculated in the energy dependent space times. It has been shown that, even if some of the thermodynamic quantities are affected by the rainbow functions, the thermodynamical first law still remains valid. Also, the impacts of rainbow functions on the stability or phase transition of the new black hole solutions have been investigated. Finally, the quantum gravitational effects on the thermodynamics and phase transition of the solutions have been studied through consideration of the thermal fluctuations.

From egg to gastrula: How the cell cycle is remodeled during the Drosophila mid-blastula transition

PubMed Central

Farrell, Jeffrey A.; O’Farrell, Patrick H.

2015-01-01

Many, if not most, embryos begin development with extremely short cell cycles that exhibit unusually rapid DNA replication and no gap phases. The commitment to the cell cycle in the early embryo appears to preclude many other cellular processes which only emerge as the cell cycle slows, at a major embryonic transition known as the mid-blastula transition (MBT) just prior to gastrulation. As reviewed here, genetic and molecular studies in Drosophila have identified changes that extend S phase and introduce a post-replicative gap phase, G2, to slow the cell cycle. While many mysteries remain about the upstream regulators of these changes, we review the core mechanisms of the change in cell cycle regulation and discuss advances in our understanding of how these might be timed and triggered. Finally, we consider how the elements of this program may be conserved or changed in other organisms. PMID:25195504

Riverside County transit : ITS demonstration project : phase II evaluation final report

DOT National Transportation Integrated Search

2001-12-24

In 1999, the U.S. Congress earmarked funds for selected projects that were assessed as supporting improvements in transportation efficiency, promoting safety, increasing traffic flow, reducing emissions, improving traveler information, enhancing alte...

Northeast Rail Operations Study (NEROps) : Phase I Final Report

DOT National Transportation Integrated Search

2007-06-01

The I-95 Corridor Coalition is a partnership of state departments of transportation (DOT), regional and local transportation agencies, toll authorities, and related organizations (including law enforcement, transit, port, and rail organizations) from...

Self-organized criticality in sandpiles - Nature of the critical phenomenon. [dynamic models in phase transition

NASA Technical Reports Server (NTRS)

Carlson, J. M.; Chayes, J. T.; Swindle, G. H.; Grannan, E. R.

1990-01-01

The scaling behavior of sandpile models is investigated analytically. First, it is shown that sandpile models contain a set of domain walls, referred to as troughs, which bound regions that can experience avalanches. It is further shown that the dynamics of the troughs is governed by a simple set of rules involving birth, death, and coalescence events. A simple trough model is then introduced, and it is proved that the model has a phase transition with the density of the troughs as an order parameter and that, in the thermodynamic limit, the trough density goes to zero at the transition point. Finally, it is shown that the observed scaling behavior is a consequence of finite-size effects.

Condensation to a strongly correlated dark fluid of two dimensional dipolar excitons

NASA Astrophysics Data System (ADS)

Mazuz-Harpaz, Yotam; Cohen, Kobi; Rapaport, Ronen

2017-08-01

Recently we reported on the condensation of cold, electrostatically trapped dipolar excitons in GaAs bilayer heterostructure into a new, dense and dark collective phase. Here we analyze and discuss in detail the experimental findings and the emerging evident properties of this collective liquid-like phase. We show that the phase transition is characterized by a sharp increase of the number of non-emitting dipoles, by a clear contraction of the fluid spatial extent into the bottom of the parabolic-like trap, and by spectral narrowing. We extract the total density of the condensed phase which we find to be consistent with the expected density regime of a quantum liquid. We show that there are clear critical temperature and excitation power onsets for the phase transition and that as the power further increases above the critical power, the strong darkening is reduced down until no clear darkening is observed. At this point another transition appears which we interpret as a transition to a strongly repulsive yet correlated e-h plasma. Based on the experimental findings, we suggest that the physical mechanism that may be responsible for the transition is a dynamical final-state stimulation of the dipolar excitons to their dark spin states, which have a long lifetime and thus support the observed sharp increase in density. Further experiments and modeling will hopefully be able to unambiguously identify the physical mechanism behind these recent observations.

Performance Testing of the Vapor Phase Catalytic Ammonia Removal Engineering Development Unit

NASA Technical Reports Server (NTRS)

Flynn, Michael; Tleimat, Maher; Nalette, Tim; Quinn, Gregory

2005-01-01

This paper describes the results of performance testing of the Vapor Phase Catalytic Ammonia Removal (VPCAR) technology. The VPCAR technology is currently being developed by NASA as a Mars transit vehicle water recycling system. NASA has recently completed-a grant-to develop a next generation VPCAR system. This grant concluded with the shipment of the final deliverable to NASA on 8/31/03. This paper presents the results of mass, power, volume, and acoustic measurements for the delivered system. Product water purity analysis for a Mars transit mission and a simulated planetary base wastewater ersatz are also provided.

Dynamical phases of the Hindmarsh-Rose neuronal model: studies of the transition from bursting to spiking chaos.

PubMed

Innocenti, Giacomo; Morelli, Alice; Genesio, Roberto; Torcini, Alessandro

2007-12-01

The dynamical phases of the Hindmarsh-Rose neuronal model are analyzed in detail by varying the external current I. For increasing current values, the model exhibits a peculiar cascade of nonchaotic and chaotic period-adding bifurcations leading the system from the silent regime to a chaotic state dominated by bursting events. At higher I-values, this phase is substituted by a regime of continuous chaotic spiking and finally via an inverse period doubling cascade the system returns to silence. The analysis is focused on the transition between the two chaotic phases displayed by the model: one dominated by spiking dynamics and the other by bursts. At the transition an abrupt shrinking of the attractor size associated with a sharp peak in the maximal Lyapunov exponent is observable. However, the transition appears to be continuous and smoothed out over a finite current interval, where bursts and spikes coexist. The beginning of the transition (from the bursting side) is signaled from a structural modification in the interspike interval return map. This change in the map shape is associated with the disappearance of the family of solutions responsible for the onset of the bursting chaos. The successive passage from bursting to spiking chaos is associated with a progressive pruning of unstable long-lasting bursts.

Magnetic field dependent dynamics and field-driven metal-to-insulator transition of the half-filled Hubbard model: A DMFT+DMRG study

DOE PAGES

Zhu, Wei; Sheng, D. N.; Zhu, Jian -Xin

2017-08-14

Here, we study the magnetic field-driven metal-to-insulator transition in half-filled Hubbard model on the Bethe lattice, using the dynamical mean-field theory by solving the quantum impurity problem with density-matrix renormalization group algorithm. The method enables us to obtain a high-resolution spectral densities in the presence of a magnetic field. It is found that the Kondo resonance at the Fermi level splits at relatively high magnetic field: the spin-up and -down components move away from the Fermi level and finally form a spin-polarized band insulator. By calculating the magnetization and spin susceptibility, we clarify that an applied magnetic field drives amore » transition from a paramagnetic metallic phase to a band insulating phase. In the weak interaction regime, the nature of the transition is continuous and captured by the Stoner's description, while in the strong interaction regime the transition is very likely to be metamagnetic, evidenced by the hysteresis curve. Furthermore, we determine the phase boundary by tracking the kink in the magnetic susceptibility, and the steplike change of the entanglement entropy and the entanglement gap closing. Interestingly, the phase boundaries determined from these two different ways are largely consistent with each other.« less

Magnetic field dependent dynamics and field-driven metal-to-insulator transition of the half-filled Hubbard model: A DMFT+DMRG study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Wei; Sheng, D. N.; Zhu, Jian -Xin

Here, we study the magnetic field-driven metal-to-insulator transition in half-filled Hubbard model on the Bethe lattice, using the dynamical mean-field theory by solving the quantum impurity problem with density-matrix renormalization group algorithm. The method enables us to obtain a high-resolution spectral densities in the presence of a magnetic field. It is found that the Kondo resonance at the Fermi level splits at relatively high magnetic field: the spin-up and -down components move away from the Fermi level and finally form a spin-polarized band insulator. By calculating the magnetization and spin susceptibility, we clarify that an applied magnetic field drives amore » transition from a paramagnetic metallic phase to a band insulating phase. In the weak interaction regime, the nature of the transition is continuous and captured by the Stoner's description, while in the strong interaction regime the transition is very likely to be metamagnetic, evidenced by the hysteresis curve. Furthermore, we determine the phase boundary by tracking the kink in the magnetic susceptibility, and the steplike change of the entanglement entropy and the entanglement gap closing. Interestingly, the phase boundaries determined from these two different ways are largely consistent with each other.« less

Geometrical model for martensitic phase transitions: Understanding criticality and weak universality during microstructure growth.

PubMed

Torrents, Genís; Illa, Xavier; Vives, Eduard; Planes, Antoni

2017-01-01

A simple model for the growth of elongated domains (needle-like) during a martensitic phase transition is presented. The model is purely geometric and the only interactions are due to the sequentiality of the kinetic problem and to the excluded volume, since domains cannot retransform back to the original phase. Despite this very simple interaction, numerical simulations show that the final observed microstructure can be described as being a consequence of dipolar-like interactions. The model is analytically solved in 2D for the case in which two symmetry related domains can grow in the horizontal and vertical directions. It is remarkable that the solution is analytic both for a finite system of size L×L and in the thermodynamic limit L→∞, where the elongated domains become lines. Results prove the existence of criticality, i.e., that the domain sizes observed in the final microstructure show a power-law distribution characterized by a critical exponent. The exponent, nevertheless, depends on the relative probabilities of the different equivalent variants. The results provide a plausible explanation of the weak universality of the critical exponents measured during martensitic transformations in metallic alloys. Experimental exponents show a monotonous dependence with the number of equivalent variants that grow during the transition.

High-pressure behavior of CaMo O4

NASA Astrophysics Data System (ADS)

Panchal, V.; Garg, N.; Poswal, H. K.; Errandonea, D.; Rodríguez-Hernández, P.; Muñoz, A.; Cavalli, E.

2017-09-01

We report a high-pressure study of tetragonal scheelite-type CaMo O4 up to 29 GPa. In order to characterize its high-pressure behavior, we have combined Raman and optical-absorption measurements with density functional theory calculations. We have found evidence of a pressure-induced phase transition near 15 GPa. Experiments and calculations agree in assigning the high-pressure phase to a monoclinic fergusonite-type structure. The reported results are consistent with previous powder x-ray-diffraction experiments, but are in contradiction with the conclusions obtained from earlier Raman measurements, which support the existence of more than one phase transition in the pressure range covered by our studies. The observed scheelite-fergusonite transition induces significant changes in the electronic band gap and phonon spectrum of CaMo O4 . We have determined the pressure evolution of the band gap for the low- and high-pressure phases as well as the frequencies and pressure dependencies of the Raman-active and infrared-active modes. In addition, based on calculations of the phonon dispersion of the scheelite phase, carried out at a pressure higher than the transition pressure, we propose a possible mechanism for the reported phase transition. Furthermore, from the calculations we determined the pressure dependence of the unit-cell parameters and atomic positions of the different phases and their room-temperature equations of state. These results are compared with previous experiments showing a very good agreement. Finally, information on bond compressibility is reported and correlated with the macroscopic compressibility of CaMo O4 . The reported results are of interest for the many technological applications of this oxide.

Time-resolved x-ray diffraction and calorimetric studies at low scan rates

PubMed Central

Yao, Haruhiko; Hatta, Ichiro; Koynova, Rumiana; Tenchov, Boris

1992-01-01

The phase transitions of dipalmitoylphosphatidylethanolamine (DPPE) in excess water have been examined by low-angle time-resolved x-ray diffraction and calorimetry at low scan rates. The lamellar subgel/lamellar liquid-crystalline (Lc → Lα), lamellar gel/lamellar liquid-crystalline (Lβ → Lα), and lamellar liquid-crystalline/lamellar gel (Lα → Lβ) phase transitions proceed via coexistence of the initial and final phases with no detectable intermediates at scan rates 0.1 and 0.5°C/min. At constant temperature within the region of the Lβ → Lα transition the ratio of the two coexisting phases was found to be stable for over 30 min. The state of stable phase coexistence was preceded by a 150-s relaxation taking place at constant temperature after termination of the heating scan in the transition region. While no intermediate structures were present in the coexistence region, a well reproducible multipeak pattern, with at least four prominent heat capacity peaks separated in temperature by 0.4-0.5°C, has been observed in the cooling transition (Lα → Lβ) by calorimetry. The multipeak pattern became distinct with an increase of incubation time in the liquid-crystalline phase. It was also clearly resolved in the x-ray diffraction intensity versus temperature plots recorded at slow cooling rates. These data suggest that the equilibrium state of the Lα phase of hydrated DPPE is represented by a mixture of domains that differ in thermal behavior, but cannot be distinguished structurally by x-ray scattering. Imagesp689-aFIGURE 9 PMID:19431820

Variability-induced transition in a net of neural elements: From oscillatory to excitable behavior.

PubMed

Glatt, Erik; Gassel, Martin; Kaiser, Friedemann

2006-06-01

Starting with an oscillatory net of neural elements, increasing variability induces a phase transition to excitability. This transition is explained by a systematic effect of the variability, which stabilizes the formerly unstable, spatially uniform, temporally constant solution of the net. Multiplicative noise may also influence the net in a systematic way and may thus induce a similar transition. Adding noise into the model, the interplay of noise and variability with respect to the reported transition is investigated. Finally, pattern formation in a diffusively coupled net is studied, because excitability implies the ability of pattern formation and information transmission.

Changes to Workflow and Process Measures in the PICU During Transition From Semi to Full Electronic Health Record.

PubMed

Salib, Mina; Hoffmann, Raymond G; Dasgupta, Mahua; Zimmerman, Haydee; Hanson, Sheila

2015-10-01

Studies showing the changes in workflow during transition from semi to full electronic medical records are lacking. This objective study is to identify the changes in workflow in the PICU during transition from semi to full electronic health record. Prospective observational study. Children's Hospital of Wisconsin Institutional Review Board waived the need for approval so this study was institutional review board exempt. This study measured clinical workflow variables at a 72-bed PICU during different phases of transition to a full electronic health record, which occurred on November 4, 2012. Phases of electronic health record transition were defined as follows: pre-electronic health record (baseline data prior to transition to full electronic health record), transition phase (3 wk after electronic health record), and stabilization (6 mo after electronic health record). Data were analyzed for the three phases using Mann-Whitney U test with a two-sided p value of less than 0.05 considered significant. Seventy-two bed PICU. All patients in the PICU were included during the study periods. Five hundred and sixty-four patients with 2,355 patient days were evaluated in the three phases. Duration of rounds decreased from a median of 9 minutes per patient pre--electronic health record to 7 minutes per patient post electronic health record. Time to final note decreased from 2.06 days pre--electronic health record to 0.5 days post electronic health record. Time to first medication administration after admission also decreased from 33 minutes pre--electronic health record and 7 minutes post electronic health record. Time to Time to medication reconciliation was significantly higher pre-electronic health record than post electronic health record and percent of medication reconciliation completion was significantly lower pre--electronic health record than post electronic health record and percent of medication reconciliation completion was significantly higher pre--electronic health record than. There was no significant change in time between placement of discharge order and physical transfer from the unit [corrected].changes clinical workflow in a PICU with decreased duration of rounds, time to final note, time to medication administration, and time to medication reconciliation completion. There was no change in the duration from medical to physical transfer.

A new model to study the phase transition from microstructures to nanostructures in ionic/ionic surfactants mixture.

PubMed

Sohrabi, Beheshteh; Gharibi, Hussein; Javadian, Soheila; Hashemianzadeh, Majid

2007-08-30

The phase behavior and aggregate structures of mixtures of the oppositely charged surfactants cetyltrimethyl ammonium bromide (CTAB) and sodium dodecyl sulfate (SDS) are explored at high dilution by pulsed field gradient stimulated echo (PFG-STE) NMR. The aggregation numbers and hydrodynamic radii of vesicles and mixed micelles were determined by a combination of viscosity and self-diffusion coefficient measurements. The average size of the mixed micelles was larger than that of micelles containing uniformly charged head groups. Analysis of the variations of the self-diffusion coefficient and viscosity with changing concentration of CTAB or SDS in the cationic-rich and anionic-rich regions revealed a phase transition from vesicles to mixed micelles. Differences in the lengths of the CTAB and SDS hydrophobic chains stabilize vesicles relative to other microstructures (e.g., liquid crystalline and precipitate phase), and vesicles form spontaneously over a wide range of compositions in both cationic-rich and anionic-rich solutions. The results obtained from conductometry measurements confirmed this transition. Finally, according to the capacitor model, a new model was developed for estimating the surface potentials and electrostatic free energy (g(elec)). Then we investigated the variations of electrostatic and transfer free energy in phase transition between mixed micelle and vesicle.

Rapid freezing of water under dynamic compression

NASA Astrophysics Data System (ADS)

Myint, Philip C.; Belof, Jonathan L.

2018-06-01

Understanding the behavior of materials at extreme pressures is a central issue in fields like aerodynamics, astronomy, and geology, as well as for advancing technological grand challenges such as inertial confinement fusion. Dynamic compression experiments to probe high-pressure states often encounter rapid phase transitions that may cause the materials to behave in unexpected ways, and understanding the kinetics of these phase transitions remains an area of great interest. In this review, we examine experimental and theoretical/computational efforts to study the freezing kinetics of water to a high-pressure solid phase known as ice VII. We first present a detailed analysis of dynamic compression experiments in which water has been observed to freeze on sub-microsecond time scales to ice VII. This is followed by a discussion of the limitations of currently available molecular and continuum simulation methods in modeling these experiments. We then describe how our phase transition kinetics models, which are based on classical nucleation theory, provide a more physics-based framework that overcomes some of these limitations. Finally, we give suggestions on future experimental and modeling work on the liquid–ice VII transition, including an outline of the development of a predictive multiscale model in which molecular and continuum simulations are intimately coupled.

Rapid freezing of water under dynamic compression.

PubMed

Myint, Philip C; Belof, Jonathan L

2018-06-13

Understanding the behavior of materials at extreme pressures is a central issue in fields like aerodynamics, astronomy, and geology, as well as for advancing technological grand challenges such as inertial confinement fusion. Dynamic compression experiments to probe high-pressure states often encounter rapid phase transitions that may cause the materials to behave in unexpected ways, and understanding the kinetics of these phase transitions remains an area of great interest. In this review, we examine experimental and theoretical/computational efforts to study the freezing kinetics of water to a high-pressure solid phase known as ice VII. We first present a detailed analysis of dynamic compression experiments in which water has been observed to freeze on sub-microsecond time scales to ice VII. This is followed by a discussion of the limitations of currently available molecular and continuum simulation methods in modeling these experiments. We then describe how our phase transition kinetics models, which are based on classical nucleation theory, provide a more physics-based framework that overcomes some of these limitations. Finally, we give suggestions on future experimental and modeling work on the liquid-ice VII transition, including an outline of the development of a predictive multiscale model in which molecular and continuum simulations are intimately coupled.

Searching for Supersolidity in Ultracold Atomic Bose Condensates with Rashba Spin-Orbit Coupling

NASA Astrophysics Data System (ADS)

Liao, Renyuan

2018-04-01

We developed a functional integral formulation for the stripe phase of spinor Bose-Einstein condensates with Rashba spin-orbit coupling. The excitation spectrum is found to exhibit double gapless band structures, identified to be two Goldstone modes resulting from spontaneously broken internal gauge symmetry and translational invariance symmetry. The sound velocities display anisotropic behavior with the lower branch vanishing in the direction perpendicular to the stripe in the x -y plane. At the transition point between the plane-wave phase and the stripe phase, physical quantities such as fluctuation correction to the ground-state energy and quantum depletion of the condensates exhibit discontinuity, characteristic of the first-order phase transition. Despite strong quantum fluctuations induced by Rashba spin-orbit coupling, we show that the supersolid phase is stable against quantum depletion. Finally, we extend our formulation to finite temperatures to account for interactions between excitations.

Magnetic phase dependence of the anomalous Hall effect in Mn 3Sn single crystals

DOE PAGES

Sung, Nakheon H.; Ronning, Filip; Thompson, Joe David; ...

2018-03-29

Thermodynamic and transport properties are reported on single crystals of the hexagonal antiferromagnet Mn 3Sn grown by the Sn flux technique. Magnetization measurements reveal two magnetic phase transitions at T 1 = 275 K and T 2 = 200 K, below the antiferromagnetic phase transition at T N ≈ 420 K. The Hall conductivity in zero magnetic field is suppressed dramatically from 4.7 Ω -1 cm -1 to near zero below T 1, coincident with the vanishing of the weak ferromagnetic moment. Finally, this illustrates that the large anomalous Hall effect arising from the Berry curvature can be switched onmore » and off by a subtle change in the symmetry of the magnetic structure near room temperature.« less

Magnetic phase dependence of the anomalous Hall effect in Mn 3Sn single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sung, Nakheon H.; Ronning, Filip; Thompson, Joe David

Thermodynamic and transport properties are reported on single crystals of the hexagonal antiferromagnet Mn 3Sn grown by the Sn flux technique. Magnetization measurements reveal two magnetic phase transitions at T 1 = 275 K and T 2 = 200 K, below the antiferromagnetic phase transition at T N ≈ 420 K. The Hall conductivity in zero magnetic field is suppressed dramatically from 4.7 Ω -1 cm -1 to near zero below T 1, coincident with the vanishing of the weak ferromagnetic moment. Finally, this illustrates that the large anomalous Hall effect arising from the Berry curvature can be switched onmore » and off by a subtle change in the symmetry of the magnetic structure near room temperature.« less

High-pressure polymorphism of the electrochemically active organic molecule tetrahydroxy-p-benzoquinone

DOE PAGES

Ciezak-Jenkins, Jennifer A.

2016-04-22

We have studied the structural and chemical response of tetrahydroxy-p-benzoquinone to isothermal compression to near 20 GPa using powder x-ray diffraction and vibrational spectroscopy. Compression beyond 11.5 GPa resulted in the appearance of several new peaks in the x-ray patterns, changes in the peak distribution and intensities, as well as the disappearance of features observed at lower pressures, which when coupled with concomitant changes in the infrared spectrum are indicative of a phase transition. Further analysis of the infrared spectra suggest this phase transition results in an increase in the anharmonicity of the system. Finally, Raman spectroscopic experiments indicate themore » high-pressure phase to be highly photosensitive and easily polymerized.« less

Suppression of superconductivity and structural phase transitions under pressure in tetragonal FeS

DOE PAGES

Lai, Xiaofang; Liu, Ying; Lu, Xujie; ...

2016-08-08

Pressure is a powerful tool to study iron-based superconductors. Here, we report systematic high-pressure transport and structural characterizations of the newly discovered superconductor FeS. It is found that superconductor FeS (tetragonal) partly transforms to a hexagonal structure at 0.4 GPa, and then completely transforms to an orthorhombic phase at 7.4 GPa and finally to a monoclinic phase above 9.0 GPa. The superconducting transition temperature of tetragonal FeS was gradually depressed by pressure, different from the case in tetragonal FeSe. With pressure increasing, the S-Fe-S angles only slightly change but the anion height deviates farther from 1.38 Å. This change ofmore » anion height, together with the structural instability under pressure, should be closely related to the suppression of superconductivity. We also observed an anomalous metal-semiconductor transition at 6.0 GPa and an unusual increased resistance with further compression above 9.6 GPa. The former can be ascribed to the tetragonal-orthorhombic structural phase transition, and the latter to the electronic structure changes of the high-pressure monoclinic phase. Lastly, a phase diagram of tetragonal FeS as functions of pressure and temperature was mapped out for the first time, which will shed new light on understanding of the structure and physics of the superconducting FeS.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Righettoni, Marco; Pratsinis, Sotiris E., E-mail: sotiris.pratsinis@ptl.mavt.ethz.ch

Highlights: • Flame-made WO{sub 3} nanoparticles with closely controlled crystal and grain size. • Dynamic phase transition of annealing of pure and Si-doped WO{sub 3} by in situ XRD. • Irreversible evolution of WO{sub 3} crystallinity by heating/cooling during its annealing. • Si-doping alters the WO{sub 3} crystallinity dynamics and stabilizes nanosized WO{sub 3}. • Flame-made nano-WO{sub 3} can sense NO at the ppb level. - Abstract: Tungsten trioxide is a semiconductor with distinct applications in gas sensors, catalysis, batteries and pigments. As such the transition between its different crystal structures during its annealing are of interest, especially for sensormore » applications. Here, WO{sub 3} nanoparticles with closely controlled crystal and grain size (9–15 nm) and phase composition are made by flame spray pyrolysis and the formation of different WO{sub 3} phases during annealing is investigated. Most notably, the dynamic phase transition and crystal size evolution of WO{sub 3} during heating and cooling is monitored by in situ X-ray diffraction revealing how metastable WO{sub 3} phases can be captured stably. The effect of Si-doping is studied since it is used in practise to control crystal growth and phase transition during metal oxide synthesis and processing. Finally the influence of annealing on the WO{sub 3} sensing performance of NO, a lung inflammation tracer in the human breath, is explored at the ppb-level.« less

Phase diagram of the underdoped cuprates at high magnetic field

NASA Astrophysics Data System (ADS)

Chakraborty, Debmalya; Morice, Corentin; Pépin, Catherine

2018-06-01

The experimentally measured phase diagram of cuprate superconductors in the temperature-applied magnetic field plane illuminates key issues in understanding the physics of these materials. At low temperature, the superconducting state gives way to a long-range charge order with increasing magnetic field; both the orders coexist in a small intermediate region. The charge order transition is strikingly insensitive to temperature and quickly reaches a transition temperature close to the zero-field superconducting Tc. We argue that such a transition along with the presence of the coexisting phase is difficult to obtain in a weak coupling competing orders formalism. We demonstrate that for some range of parameters there is an enlarged symmetry of the strongly coupled charge and superconducting orders in the system depending on their relative masses and the coupling strength of the two orders. We establish that this sharp switch from the superconducting phase to the charge order phase can be understood in the framework of a composite SU(2) order parameter comprising the charge and superconducting orders. Finally, we illustrate that there is a possibility of the coexisting phase of the competing charge and superconducting orders only when the SU(2) symmetry between them is weakly broken due to biquadratic terms in the free energy. The relation of this sharp transition to the proximity to the pseudogap quantum critical doping is also discussed.

From bosonic topological transition to symmetric fermion mass generation

NASA Astrophysics Data System (ADS)

You, Yi-Zhuang; He, Yin-Chen; Vishwanath, Ashvin; Xu, Cenke

2018-03-01

A bosonic topological transition (BTT) is a quantum critical point between the bosonic symmetry-protected topological phase and the trivial phase. In this work, we investigate such a transition in a (2+1)-dimensional lattice model with the maximal microscopic symmetry: an internal SO (4 ) symmetry. We derive a description for this transition in terms of compact quantum electrodynamics (QED) with four fermion flavors (Nf=4 ). Within a systematic renormalization group analysis, we identify the critical point with the desired O (4 ) emergent symmetry and all expected deformations. By lowering the microscopic symmetry, we recover the previous Nf=2 noncompact QED description of the BTT. Finally, by merging two BTTs we recover a previously discussed theory of symmetric mass generation, as an SU (2 ) quantum chromodynamics-Higgs theory with Nf=4 flavors of SU (2 ) fundamental fermions and one SU (2 ) fundamental Higgs boson. This provides a consistency check on both theories.

Dissipation-driven phase transitions in superconducting wires

NASA Astrophysics Data System (ADS)

Lobos, Alejandro; Iucci, Aníbal; Müller, Markus; Giamarchi, Thierry

2010-03-01

Narrow superconducting wires with diameter dξ0 (where ξ0 is the bulk superconducting coherence length) are quasi-1D systems in which fluctuations of the order parameter strongly affect low-temperature properties. Indeed, fluctuations cause the magnitude of the order parameter to temporarily vanish at some point along the wire, allowing its phase to slip by 2π, and to produce finite resistivity for all temperatures below Tc. In this work, we show that a weak coupling to a diffusive metallic film reinforces superconductivity in the wire through a quench of phase fluctuations. We analyze the effective phase-only action of the system by a perturbative renormalization-group and a self-consistent variational approach to obtain the critical points and phases at T=0. We predict a quantum phase transition towards a superconducting phase with long-range order as a function of the wire stiffness and coupling to the metal. Finally we discuss implications for the DC resistivity of the wire.

Transition to turbulence in plane channel flows

NASA Technical Reports Server (NTRS)

Biringen, S.

1984-01-01

Results obtained from a numerical simulation of the final stages of transition to turbulence in plane channel flow are described. Three dimensional, incompressible Navier-Stokes equations are numerically integrated to obtain the time evolution of two and three dimensional finite amplitude disturbances. Computations are performed on CYBER-203 vector processor for a 32x51x32 grid. Results are presented for no-slip boundary conditions at the solid walls as well as for periodic suction blowing to simulate active control of transition by mass transfer. Solutions indicate that the method is capable of simulating the complex character of vorticity dynamics during the various stages of transition and final breakdown. In particular, evidence points to the formation of a lambda-shape vortex and the subsequent system of horseshoe vortices inclined to the main flow direction as the main elements of transition. Calculations involving periodic suction-blowing indicate that interference with a wave of suitable phase and amplitude reduces the disturbance growth rates.

Extracellular ice phase transitions in insects.

PubMed

Hawes, T C

2014-01-01

At temperatures below their temperature of crystallization (Tc), the extracellular body fluids of insects undergo a phase transition from liquid to solid. Insects that survive the transition to equilibrium (complete freezing of the body fluids) are designated as freeze tolerant. Although this phenomenon has been reported and described in many Insecta, current nomenclature and theory does not clearly delineate between the process of transition (freezing) and the final solid phase itself (the frozen state). Thus freeze tolerant insects are currently, by convention, described in terms of the temperature at which the crystallization of their body fluids is initiated, Tc. In fact, the correct descriptor for insects that tolerate freezing is the temperature of equilibrium freezing, Tef. The process of freezing is itself a separate physical event with unique physiological stresses that are associated with ice growth. Correspondingly there are a number of insects whose physiological cryo-limits are very specifically delineated by this transitional envelope. The distinction also has considerable significance for our understanding of insect cryobiology: firstly, because the ability to manage endogenous ice growth is a fundamental segregator of cryotype; and secondly, because our understanding of internal ice management is still largely nascent.

Fermion-induced quantum critical points.

PubMed

Li, Zi-Xiang; Jiang, Yi-Fan; Jian, Shao-Kai; Yao, Hong

2017-08-22

A unified theory of quantum critical points beyond the conventional Landau-Ginzburg-Wilson paradigm remains unknown. According to Landau cubic criterion, phase transitions should be first-order when cubic terms of order parameters are allowed by symmetry in the Landau-Ginzburg free energy. Here, from renormalization group analysis, we show that second-order quantum phase transitions can occur at such putatively first-order transitions in interacting two-dimensional Dirac semimetals. As such type of Landau-forbidden quantum critical points are induced by gapless fermions, we call them fermion-induced quantum critical points. We further introduce a microscopic model of SU(N) fermions on the honeycomb lattice featuring a transition between Dirac semimetals and Kekule valence bond solids. Remarkably, our large-scale sign-problem-free Majorana quantum Monte Carlo simulations show convincing evidences of a fermion-induced quantum critical points for N = 2, 3, 4, 5 and 6, consistent with the renormalization group analysis. We finally discuss possible experimental realizations of the fermion-induced quantum critical points in graphene and graphene-like materials.Quantum phase transitions are governed by Landau-Ginzburg theory and the exceptions are rare. Here, Li et al. propose a type of Landau-forbidden quantum critical points induced by gapless fermions in two-dimensional Dirac semimetals.

Hierarchical Sol-Gel Transition Induced by Thermosensitive Self-Assembly of an ABC Triblock Polymer in an Ionic Liquid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kitazawa, Yuzo; Ueki, Takeshi; McIntosh, Lucas D.

2016-04-29

Here we investigate a hierarchical morphology change and accompanying sol–gel transition using a doubly thermosensitive ABC-triblock copolymer in an ionic liquid (IL). The triblock copolymer contains two different lower critical solution temperature (LCST) thermosensitive polymers, poly(benzyl methacrylate) (PBnMA) and poly(2-phenylethyl methacrylate) (PPhEtMA), as the end blocks and poly(methyl methacrylate) (PMMA) as the middle block (PBnMA-b-PMMA-b-PPhEtMA: BMP). BMP undergoes a hierarchical phase transition corresponding to the self-assembly of each of the thermosensitive blocks in the IL, and a sol–gel transition was observed in concentrated, above 10 wt %, polymer solutions. The gelation behavior was affected by polymer concentration, and at 20more » wt %, the BMP/IL composite showed a phase transition, with increasing temperature, from solution through a jammed micelle suspension to a physically cross-linked gel. For each phase was formed reversibly and rapidly over the corresponding temperature range. Finally, the jammed micelle and cross-linked gel states were characterized using viscoelastic measurements and small-angle X-ray scattering (SAXS).« less

Collapsed tetragonal phase transition in LaRu 2 P 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Drachuck, Gil; Sapkota, Aashish; Jayasekara, Wageesha T.

Here, the structural properties of LaRu 2P 2 under external pressure have been studied up to 14 GPa, employing high-energy x-ray diffraction in a diamond-anvil pressure cell. At ambient conditions, LaRu 2P 2 (I4/ mmm) has a tetragonal structure with a bulk modulus of B = 105(2) GPa and exhibits superconductivity at T c = 4.1 K. With the application of pressure, LaRu 2P 2 undergoes a phase transition to a collapsed tetragonal (cT) state with a bulk modulus of B = 175(5) GPa. At the transition, the c-lattice parameter exhibits a sharp decrease with a concurrent increase of themore » a-lattice parameter. The cT phase transition in LaRu 2P 2 is consistent with a second-order transition, and was found to be temperature dependent, increasing from P = 3.9(3) GPa at 160 K to P = 4.6(3) GPa at 300 K. In total, our data are consistent with the cT transition being near, but slightly above 2 GPa at 5 K where superconductivity is suppressed. Finally, we compare the effect of physical and chemical pressure in the RRu 2P 2 ( R = Y, La–Er, Yb) isostructural series of compounds and find them to be analogous.« less

Collapsed tetragonal phase transition in LaRu2P2

NASA Astrophysics Data System (ADS)

Drachuck, Gil; Sapkota, Aashish; Jayasekara, Wageesha T.; Kothapalli, Karunakar; Bud'ko, Sergey L.; Goldman, Alan I.; Kreyssig, Andreas; Canfield, Paul C.

2017-11-01

The structural properties of LaRu2P2 under external pressure have been studied up to 14 GPa, employing high-energy x-ray diffraction in a diamond-anvil pressure cell. At ambient conditions, LaRu2P2 (I4/mmm) has a tetragonal structure with a bulk modulus of B =105 (2 ) GPa and exhibits superconductivity at Tc=4.1 K. With the application of pressure, LaRu2P2 undergoes a phase transition to a collapsed tetragonal (cT) state with a bulk modulus of B =175 (5 ) GPa. At the transition, the c -lattice parameter exhibits a sharp decrease with a concurrent increase of the a -lattice parameter. The cT phase transition in LaRu2P2 is consistent with a second-order transition, and was found to be temperature dependent, increasing from P =3.9 (3 ) GPa at 160 K to P =4.6 (3 ) GPa at 300 K. In total, our data are consistent with the cT transition being near, but slightly above 2 GPa at 5 K where superconductivity is suppressed. Finally, we compare the effect of physical and chemical pressure in the RRu2P2 (R = Y, La -Er , Yb) isostructural series of compounds and find them to be analogous.

Collapsed tetragonal phase transition in LaRu 2 P 2

DOE PAGES

Drachuck, Gil; Sapkota, Aashish; Jayasekara, Wageesha T.; ...

2017-11-10

Here, the structural properties of LaRu 2P 2 under external pressure have been studied up to 14 GPa, employing high-energy x-ray diffraction in a diamond-anvil pressure cell. At ambient conditions, LaRu 2P 2 (I4/ mmm) has a tetragonal structure with a bulk modulus of B = 105(2) GPa and exhibits superconductivity at T c = 4.1 K. With the application of pressure, LaRu 2P 2 undergoes a phase transition to a collapsed tetragonal (cT) state with a bulk modulus of B = 175(5) GPa. At the transition, the c-lattice parameter exhibits a sharp decrease with a concurrent increase of themore » a-lattice parameter. The cT phase transition in LaRu 2P 2 is consistent with a second-order transition, and was found to be temperature dependent, increasing from P = 3.9(3) GPa at 160 K to P = 4.6(3) GPa at 300 K. In total, our data are consistent with the cT transition being near, but slightly above 2 GPa at 5 K where superconductivity is suppressed. Finally, we compare the effect of physical and chemical pressure in the RRu 2P 2 ( R = Y, La–Er, Yb) isostructural series of compounds and find them to be analogous.« less

Hunting for swinging millisecond pulsars with XMM-Newton

NASA Astrophysics Data System (ADS)

Papitto, Alessandro

2013-10-01

The recent XMM discovery of a millisecond pulsar swinging between an accretion- powered (X-ray) and a rotation-powered (radio) pulsar state provided the final evidence of the evolutionary link between these two classes, demonstrating that transitions between the two states can be observed over of a few weeks. We propose a ToO program (made of 3 triggers of 60 ks, over a 3years timescale) aimed at detecting X-ray accretion powered pulsations in sources already known as ms radio pulsars. Candidates are restricted to black widows and redbacks, systems in an evolutionary phase that allows state transitions. Enlarging the number of systems in this transitional phase is crucial to test binary evolution theories, and to study the disk-field interaction over a large range of mass accretion rates.

Activity of a social dynamics model

NASA Astrophysics Data System (ADS)

Reia, Sandro M.; Neves, Ubiraci P. C.

2015-10-01

Axelrod's model was proposed to study interactions between agents and the formation of cultural domains. It presents a transition from a monocultural to a multicultural steady state which has been studied in the literature by evaluation of the relative size of the largest cluster. In this article, we propose new measurements based on the concept of activity per agent to study the Axelrod's model on the square lattice. We show that the variance of system activity can be used to indicate the critical points of the transition. Furthermore the frequency distribution of the system activity is able to show a coexistence of phases typical of a first order phase transition. Finally, we verify a power law dependence between cluster activity and cluster size for multicultural steady state configurations at the critical point.

Diffusion paths formation for Cu{sup +} ions in superionic Cu{sub 6}PS{sub 5}I single crystals studied in terms of structural phase transition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gagor, A.; Pietraszko, A.; Kaynts, D.

2005-11-15

In order to understand the structural transformations leading to high ionic conductivity of Cu{sup +} ions in Cu{sub 6}PS{sub 5}I argyrodite compound, the detailed structure analysis based on single-crystal X-ray diffraction has been performed. Below the phase transition at T{sub c}=(144-169)K Cu{sub 6}PS{sub 5}I belongs to monoclinic, ferroelastic phase (space group Cc) with ordered copper sublattice. Above T{sub c} delocalization of copper ions begins and crystal changes the symmetry to cubic superstructure with space group F-43c (a{sup '}=19.528A, z=32). Finally, above T{sub 1}=274K increasing disordering of the Cu{sup +} ions heightens the symmetry to F-43m (a=9.794A, z=4). In this work,more » the final structural model of two cubic phases is presented including the detailed temperature evolution of positions and site occupation factors of copper ions (R{sub 1}=0.0397 for F-43c phase, and 0.0245 for F-43m phase). Possible diffusion paths for the copper ions are represented by means of the atomic displacement factors and split model. The structural results coincide well with the previously reported non-Arrhenius behavior of conductivity and indicate significant change in conduction mechanism.« less

New pathway for the formation of metallic cubic phase Ge-Sb-Te compounds induced by an electric current

PubMed Central

Park, Yong-Jin; Cho, Ju-Young; Jeong, Min-Woo; Na, Sekwon; Joo, Young-Chang

2016-01-01

The novel discovery of a current-induced transition from insulator to metal in the crystalline phase of Ge2Sb2Te5 and GeSb4Te7 have been studied by means of a model using line-patterned samples. The resistivity of cubic phase Ge-Sb-Te compound was reduced by an electrical current (~1 MA/cm2), and the final resistivity was determined based on the stress current density, regardless of the initial resistivity and temperature, which indicates that the conductivity of Ge-Sb-Te compound can be modulated by an electrical current. The minimum resistivity of Ge-Sb-Te materials can be achieved at high kinetic rates by applying an electrical current, and the material properties change from insulating to metallic behavior without a phase transition. The current-induced metal transition is more effective in GeSb4Te7 than Ge2Sb2Te5, which depends on the intrinsic vacancy of materials. Electromigration, which is the migration of atoms induced by a momentum transfer from charge carriers, can easily promote the rearrangement of vacancies in the cubic phase of Ge-Sb-Te compound. This behavior differs significantly from thermal annealing, which accompanies a phase transition to the hexagonal phase. This result suggests a new pathway for modulating the electrical conductivity and material properties of chalcogenide materials by applying an electrical current. PMID:26902593

Photoluminescence of RbCaF3:Mn2+: the influence of phase transitions

NASA Astrophysics Data System (ADS)

Marcode Lucas, M. C.; Rodriguez, F.; Moreno, M.

1993-03-01

Precise photoluminescence measurements on an RbCaF3:Mn2+ sample containing only 400 p.p.m. of Mn2+ have been carried out in the 10-300 K temperature range. The results are compared with those obtained in other fluoroperovskites doped with Mn2+. The analysis of the 6A1g(S) to 4T1g(G) excitation peak at room temperature leads to a Mn2+-F- distance R=213.3 pm which is close to that derived from the experimental isotropic superhyperfine constant, As. The plot of the first moment of the emission band, M1, against temperature reveals a slight but sensible change of slope at T=193 K which is associated with the Oh1 to D4h18 structural phase transition of the host lattice. Furthermore, at T=40 K, M1 undergoes an abrupt increase of approximately 100 cm-1. This fact supports the existence of another phase transition involving an increase Delta R/R approximately=0.2% upon cooling, and thus a situation which is similar to that detected in the structural phase transition of KMnF3 at Tc3=81.5 K. To the authors' knowledge this is the first time that clear evidence of both phase transitions in RbCaF3 has been achieved through an optical probe. Finally the variation of the 4A1g(G), 4Eg(G) peak, E3, along the fluoroperovskite series is analysed.

Trajectory Design to Mitigate Risk on the Transiting Exoplanet Survey Satellite (TESS) Mission

NASA Technical Reports Server (NTRS)

Dichmann, Donald

2016-01-01

The Transiting Exoplanet Survey Satellite (TESS) will employ a highly eccentric Earth orbit, in 2:1 lunar resonance, reached with a lunar flyby preceded by 3.5 phasing loops. The TESS mission has limited propellant and several orbit constraints. Based on analysis and simulation, we have designed the phasing loops to reduce delta-V and to mitigate risk due to maneuver execution errors. We have automated the trajectory design process and use distributed processing to generate and to optimize nominal trajectories, check constraint satisfaction, and finally model the effects of maneuver errors to identify trajectories that best meet the mission requirements.

Stochastic many-particle model for LFP electrodes

NASA Astrophysics Data System (ADS)

Guhlke, Clemens; Gajewski, Paul; Maurelli, Mario; Friz, Peter K.; Dreyer, Wolfgang

2018-02-01

In the framework of non-equilibrium thermodynamics, we derive a new model for many-particle electrodes. The model is applied to LiFePO4 (LFP) electrodes consisting of many LFP particles of nanometer size. The phase transition from a lithium-poor to a lithium-rich phase within LFP electrodes is controlled by both different particle sizes and surface fluctuations leading to a system of stochastic differential equations. An explicit relation between battery voltage and current controlled by the thermodynamic state variables is derived. This voltage-current relation reveals that in thin LFP electrodes lithium intercalation from the particle surfaces into the LFP particles is the principal rate-limiting process. There are only two constant kinetic parameters in the model describing the intercalation rate and the fluctuation strength, respectively. The model correctly predicts several features of LFP electrodes, viz. the phase transition, the observed voltage plateaus, hysteresis and the rate-limiting capacity. Moreover we study the impact of both the particle size distribution and the active surface area on the voltage-charge characteristics of the electrode. Finally we carefully discuss the phase transition for varying charging/discharging rates.

Transitions amongst synchronous solutions in the stochastic Kuramoto model

NASA Astrophysics Data System (ADS)

DeVille, Lee

2012-05-01

We consider the Kuramoto model of coupled oscillators with nearest-neighbour coupling and additive white noise. We show that synchronous solutions which are stable without the addition of noise become metastable and that we have transitions amongst synchronous solutions on long timescales. We compute these timescales and, moreover, compute the most likely path in phase space that transitions will follow. We show that these transition timescales do not increase as the number of oscillators in the system increases, and are roughly constant in the system size. Finally, we show that the transitions correspond to a splitting of one synchronous solution into two communities which move independently for some time and which rejoin to form a different synchronous solution.

Impacts of CTfastrak on Real Estate and Urban Economic Development : Phase 1

DOT National Transportation Integrated Search

2017-07-30

CTfastrak, a bus rapid transit service connecting four municipalities (Hartford, West Hartford, Newington, and New Britain) in Central Connecticut (CT), received final funding approval in 2011 and opened for service in March 2015. This new service ma...

Warm ''pasta'' phase in the Thomas-Fermi approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Avancini, Sidney S.; Menezes, Debora P.; Chiacchiera, Silvia

In the present article, the 'pasta' phase is studied at finite temperatures within a Thomas-Fermi (TF) approach. Relativistic mean-field models, both with constant and density-dependent couplings, are used to describe this frustrated system. We compare the present results with previous ones obtained within a phase-coexistence description and conclude that the TF approximation gives rise to a richer inner ''pasta'' phase structure and the homogeneous matter appears at higher densities. Finally, the transition density calculated within TF is compared with the results for this quantity obtained with other methods.

Exploring the high-pressure behavior of the three known polymorphs of BiPO{sub 4}: Discovery of a new polymorph

DOE Office of Scientific and Technical Information (OSTI.GOV)

Errandonea, D., E-mail: daniel.errandonea@uv.es; García-Domene, B.; Gomis, O.

We have studied the structural behavior of bismuth phosphate under compression. We performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different polymorphs: trigonal (phase I) and monoclinic (phases II and III). Phases I and III, at low pressure (P < 0.2–0.8 GPa), transform into phase II, which has a monazite-type structure. At room temperature, this polymorph is stable up to 31.5 GPa. Calculations support these findings and predict the occurrence of an additional transition from the monoclinic monazite-type to a tetragonal scheelite-type structure (phase IV). This transition was experimentally found after the simultaneous applicationmore » of pressure (28 GPa) and temperature (1500 K), suggesting that at room temperature the transition might by hindered by kinetic barriers. Calculations also predict an additional phase transition at 52 GPa, which exceeds the maximum pressure achieved in the experiments. This transition is from phase IV to an orthorhombic barite-type structure (phase V). We also studied the axial and bulk compressibility of BiPO{sub 4}. Room-temperature pressure-volume equations of state are reported. BiPO{sub 4} was found to be more compressible than isomorphic rare-earth phosphates. The discovered phase IV was determined to be the less compressible polymorph of BiPO{sub 4}. On the other hand, the theoretically predicted phase V has a bulk modulus comparable with that of monazite-type BiPO{sub 4}. Finally, the isothermal compressibility tensor for the monazite-type structure is reported at 2.4 GPa showing that the direction of maximum compressibility is in the (0 1 0) plane at approximately 15° (21°) to the a axis for the case of our experimental (theoretical) study.« less

Suppression of the commensurate magnetic phase in nanosized hübnerite MnW O 4

DOE PAGES

Zajdel, P.; G?gor, A.; Pajerowski, D. M.; ...

2017-05-18

Magnetic structures of nanosized (20 to 70 nm) powders of MnWO 4 and MnWO 4:Mo were studied using neutron powder diffraction (NPD). Sizes and shapes of the crystallites calculated from anisotropic peak broadening of diffraction peaks were found to be orthogonal parallelepipedlike with the longest edge along the c axis and the shortest along the b axis. SQUID measurements indicate the presence of two magnetic transitions around 8 and 12 K. Rietveld refinement of the NPD data below the magnetic transition was consistent with the presence of an incommensurate spiral-like (ac-AF2) phase. Finally, a commensurate phase AF1 was not observedmore » down to 2.5 K for all of the samples.« less

Transitions of tethered chain molecules under tension.

PubMed

Luettmer-Strathmann, Jutta; Binder, Kurt

2014-09-21

An applied tension force changes the equilibrium conformations of a polymer chain tethered to a planar substrate and thus affects the adsorption transition as well as the coil-globule and crystallization transitions. Conversely, solvent quality and surface attraction are reflected in equilibrium force-extension curves that can be measured in experiments. To investigate these effects theoretically, we study tethered chains under tension with Wang-Landau simulations of a bond-fluctuation lattice model. Applying our model to pulling experiments on biological molecules we obtain a good description of experimental data in the intermediate force range, where universal features dominate and finite size effects are small. For tethered chains in poor solvent, we observe the predicted two-phase coexistence at transitions from the globule to stretched conformations and also discover direct transitions from crystalline to stretched conformations. A phase portrait for finite chains constructed by evaluating the density of states for a broad range of solvent conditions and tensions shows how increasing tension leads to a disappearance of the globular phase. For chains in good solvents tethered to hard and attractive surfaces we find the predicted scaling with the chain length in the low-force regime and show that our results are well described by an analytical, independent-bond approximation for the bond-fluctuation model for the highest tensions. Finally, for a hard or slightly attractive surface the stretching of a tethered chain is a conformational change that does not correspond to a phase transition. However, when the surface attraction is sufficient to adsorb a chain it will undergo a desorption transition at a critical value of the applied force. Our results for force-induced desorption show the transition to be discontinuous with partially desorbed conformations in the coexistence region.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Seung Sae; Yu, Jung Ho; Lu, Di

Long-range order and phase transitions in two-dimensional (2D) systems—such as magnetism, superconductivity, and crystallinity—have been important research topics for decades. The issue of 2D crystalline order has reemerged recently, with the development of exfoliated atomic crystals. Understanding the dimensional limit of crystalline phases, with different types of bonding and synthetic techniques, is at the foundation of low-dimensional materials design. We study ultrathin membranes of SrTiO 3, an archetypal perovskite oxide with isotropic (3D) bonding. Atomically controlled membranes are released after synthesis by dissolving an underlying epitaxial layer. Although all unreleased films are initially single-crystalline, the SrTiO 3 membrane lattice collapsesmore » below a critical thickness (5 unit cells). This crossover from algebraic to exponential decay of the crystalline coherence length is analogous to the 2D topological Berezinskii-Kosterlitz-Thouless (BKT) transition. Finally, the transition is likely driven by chemical bond breaking at the 2D layer-3D bulk interface, defining an effective dimensional phase boundary for coherent crystalline lattices.« less

Metamaterials based on the phase transition of VO2

NASA Astrophysics Data System (ADS)

Liu, Hongwei; Lu, Junpeng; Renshaw Wang, Xiao

2018-01-01

In this article, we present a comprehensive review on recent research progress in design and fabrication of active tunable metamaterials and devices based on phase transition of VO2. Firstly, we introduce mechanisms of the metal-to-insulator phase transition (MIPT) in VO2 investigated by ultrafast THz spectroscopies. By analyzing the THz spectra, the evolutions of MIPT in VO2 induced by different external excitations are described. The superiorities of using VO2 as building blocks to construct highly tunable metamaterials are discussed. Subsequently, the recently demonstrated metamaterial devices based on VO2 are reviewed. These metamaterials devices are summarized and described in the categories of working frequency. In each working frequency range, representative metamaterials based on VO2 with different architectures and functionalities are reviewed and the contributions of the MIPT of VO2 are emphasized. Finally, we conclude the recent reports and provide a prospect on the strategies of developing future tunable metamaterials based on VO2.

Thermodynamic phase transition in the rainbow Schwarzschild black hole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gim, Yongwan; Kim, Wontae, E-mail: yongwan89@sogang.ac.kr, E-mail: wtkim@sogang.ac.kr

2014-10-01

We study the thermodynamic phase transition in the rainbow Schwarzschild black hole where the metric depends on the energy of the test particle. Identifying the black hole temperature with the energy from the modified dispersion relation, we obtain the modified entropy and thermodynamic energy along with the modified local temperature in the cavity to provide well defined black hole states. It is found that apart from the conventional critical temperature related to Hawking-Page phase transition there appears an additional critical temperature which is of relevance to the existence of a locally stable tiny black hole; however, the off-shell free energymore » tells us that this black hole should eventually tunnel into the stable large black hole. Finally, we discuss the reason why the temperature near the horizon is finite in the rainbow black hole by employing the running gravitational coupling constant, whereas it is divergent near the horizon in the ordinary Schwarzschild black hole.« less

Silica phase changes: Diagenetic agent for oil entrapment, Lost Hills field, California

DOE Office of Scientific and Technical Information (OSTI.GOV)

Julander, D.R.; Szymanski, D.L.

1991-02-01

The siliceous shales of the Monterey Group are the primary development target at Lost Hills. Silica phase changes have influenced the distribution and entrapment of hydrocarbons. With increasing temperature, opal A phase diatomite is converted to opal CT and finally quartz phase rock. All phases are low in permeability. The opal A diatomite is characteristically high in oil saturation and productive saturation. Productivity from this phase is dependent on structural position and fieldwide variations in oil viscosity and biodegradation. The deeper chert reservoir coincides with the opal CT to quartz phase transition. Porosity is again reduced in this transition, butmore » saturations in the quartz phase rocks increase. Tests in the chert reservoir indicate a single, low-permeability system, suggesting the importance of matric contribution. resistivity and porosity in the diatomite, and resistivity and velocity in the chert, are the physical properties which best reflect saturation. Methods exploiting these properties (FMS, BHTV, borehole, and surface shear wave studies) should be helpful in further characterizing the reservoirs and identifying future pay.« less

Dirty bosons in a three-dimensional harmonic trap

NASA Astrophysics Data System (ADS)

Khellil, Tama; Pelster, Axel

2017-09-01

We study a three-dimensional Bose-Einstein condensate in an isotropic harmonic trapping potential with an additional delta-correlated disorder potential and investigate the emergence of a Bose-glass phase for increasing disorder strength. At zero temperature a first-order quantum phase transition from the superfluid phase to the Bose-glass phase is detected at a critical disorder strength, which agrees with the findings in the literature. Afterwards, we study the interplay between temperature and disorder fluctuations on the respective components of the particle density. In particular, we find for smaller disorder strengths that a superfluid region, a Bose-glass region, and a thermal region coexist. Furthermore, depending on the respective system parameters, three phase transitions are detected, namely, one from the superfluid to the Bose-glass phase, another one from the Bose-glass to the thermal phase, and finally one from the superfluid to the thermal phase. All these results are obtained by extending a quite recent Hartree-Fock mean-field theory for the dirty boson problem, which is based on the replica method, from the homogeneous case to a harmonic confinement.

Interferometric sensitivity and entanglement by scanning through quantum phase transitions in spinor Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Feldmann, P.; Gessner, M.; Gabbrielli, M.; Klempt, C.; Santos, L.; Pezzè, L.; Smerzi, A.

2018-03-01

Recent experiments demonstrated the generation of entanglement by quasiadiabatically driving through quantum phase transitions of a ferromagnetic spin-1 Bose-Einstein condensate in the presence of a tunable quadratic Zeeman shift. We analyze, in terms of the Fisher information, the interferometric value of the entanglement accessible by this approach. In addition to the Twin-Fock phase studied experimentally, we unveil a second regime, in the broken axisymmetry phase, which provides Heisenberg scaling of the quantum Fisher information and can be reached on shorter time scales. We identify optimal unitary transformations and an experimentally feasible optimal measurement prescription that maximize the interferometric sensitivity. We further ascertain that the Fisher information is robust with respect to nonadiabaticity and measurement noise. Finally, we show that the quasiadiabatic entanglement preparation schemes admit higher sensitivities than dynamical methods based on fast quenches.

Manipulating electronic phase separation in strongly correlated oxides with an ordered array of antidots

DOE PAGES

Zhang, Kai; Du, Kai; Liu, Hao; ...

2015-07-20

The interesting transport and magnetic properties in manganites depend sensitively on the nucleation and growth of electronic phase-separated domains. In this paper, by fabricating antidot arrays in La 0.325Pr 0.3Ca 0.375MnO 3 (LPCMO) epitaxial thin films, we create ordered arrays of micrometer-sized ferromagnetic metallic (FMM) rings in the LPCMO films that lead to dramatically increased metal–insulator transition temperatures and reduced resistances. The FMM rings emerge from the edges of the antidots where the lattice symmetry is broken. Based on our Monte Carlo simulation, these FMM rings assist the nucleation and growth of FMM phase domains increasing the metal–insulator transition withmore » decreasing temperature or increasing magnetic field. Finally, this study points to a way in which electronic phase separation in manganites can be artificially controlled without changing chemical composition or applying external field.« less

Quantum quenches in a holographic Kondo model

NASA Astrophysics Data System (ADS)

Erdmenger, Johanna; Flory, Mario; Newrzella, Max-Niklas; Strydom, Migael; Wu, Jackson M. S.

2017-04-01

We study non-equilibrium dynamics and quantum quenches in a recent gauge/gravity duality model for a strongly coupled system interacting with a magnetic impurity with SU( N ) spin. At large N , it is convenient to write the impurity spin as a bilinear in Abrikosov fermions. The model describes an RG flow triggered by the marginally relevant Kondo operator. There is a phase transition at a critical temperature, below which an operator condenses which involves both an electron and an Abrikosov fermion field. This corresponds to a holographic superconductor in AdS2 and models the impurity screening. We quench the Kondo coupling either by a Gaussian pulse or by a hyperbolic tangent, the latter taking the system from the condensed to the uncondensed phase or vice-versa. We study the time dependence of the condensate induced by this quench. The timescale for equilibration is generically given by the leading quasinormal mode of the dual gravity model. This mode also governs the formation of the screening cloud, which is obtained as the decrease of impurity degrees of freedom with time. In the condensed phase, the leading quasinormal mode is imaginary and the relaxation of the condensate is over-damped. For quenches whose final state is close to the critical point of the large N phase transition, we study the critical slowing down and obtain the combination of critical exponents zν = 1. When the final state is exactly at the phase transition, we find that the exponential ringing of the quasinormal modes is replaced by a power-law behaviour of the form ˜ t - a sin( b log t). This indicates the emergence of a discrete scale invariance.

Long-range modulation of a composite crystal in a five-dimensional superspace

DOE PAGES

Guerin, Laurent; Mariette, Celine; Rabiller, Philippe; ...

2015-05-05

The intergrowth crystal of n-tetracosane/urea presents a misfit parameter, defined by the ratio γ = c h/c g (c host/c guest), that is very close to a commensurate value (γ ≅ 1/3). High-resolution diffraction studies presented here reveal an aperiodic misfit parameter of γ = 0.3369, which is found to be constant at all temperatures studied. A complex sequence of structural phases is reported. The high temperature phase (phase I) exists in the four-dimensional superspace group P6 122(00γ). At T c1 = 179(1) K, a ferroelastic phase transition increases the dimension of the crystallographic superspace. This orthorhombic phase (phase II)more » is characterized by the five-dimensional (5D) superspace group C222 1(00γ)(10δ) with a modulation vector a o* + c m* = a o* + δ · c h*, in which the supplementary misfit parameter is δ = 0.025(1) in host reciprocal units. Finally, this corresponds to the appearance of a modulation of very long period (about 440 ± 16 Å). At T c2 = 163.0(5) K, a 5D to 5D phase transition leads to the crystallographic superspace group P2 12 12 1(00γ)(00δ) with a very similar value of δ. This phase transition reveals a significant hysteresis effect.« less

Magnetic quantum phase transition in Cr-doped Bi 2(Se xTe 1-x) 3 driven by the Stark effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Zuocheng; Feng, Xiao; Wang, Jing

The interplay between magnetism and topology, as exemplified in the magnetic skyrmion systems, has emerged as a rich playground for finding novel quantum phenomena and applications in future information technology. Magnetic topological insulators (TI) have attracted much recent attention, especially after the experimental realization of quantum anomalous Hall effect. Future applications of magnetic TI hinge on the accurate manipulation of magnetism and topology by external perturbations, preferably with a gate electric field. In this work, we investigate the magneto transport properties of Cr doped Bi 2(Se xTe 1-x) 3 TI across the topological quantum critical point (QCP). We find thatmore » the external gate voltage has negligible effect on the magnetic order for samples far away from the topological QCP. However, for the sample near the QCP, we observe a ferromagnetic (FM) to paramagnetic (PM) phase transition driven by the gate electric field. Theoretical calculations show that a perpendicular electric field causes a shift of electronic energy levels due to the Stark effect, which induces a topological quantum phase transition and consequently a magnetic phase transition. Finally, the in situ electrical control of the topological and magnetic properties of TI shed important new lights on future topological electronic or spintronic device applications.« less

In situ observation of sol-gel transition of agarose aqueous solution by fluorescence measurement.

PubMed

Wang, Zheng; Yang, Kun; Li, Haining; Yuan, Chaosheng; Zhu, Xiang; Huang, Haijun; Wang, Yongqiang; Su, Lei; Fang, Yapeng

2018-06-01

Sol-gel transition behavior of agarose aqueous solution was investigated by using rheology and fluorescence measurement. On heating, the storage modulus G' decreased gradually, then deviated abruptly at the temperature of about 65°C, and finally decreased slowly again. For fluorescence measurement, the phase transition point kept almost at the temperature of 65°C, which was consistent with that in rheology measurement. Upon compression, it was indicated that the fluorescence lifetime for the probe in the agarose aqueous solution showed a dramatic change in the vicinity of the phase transition point. T vs. P phase diagram of agarose aqueous solution was constructed, which showed that the melting point was an increasing function of pressure. Based on the phase diagram, the agarose gels were prepared by cooling under atmospheric pressure and the pressure of 300MPa, respectively. From the result of the recovered samples studied by optical rheometry, it was found that agarose gel prepared under high pressure had a higher elasticity and lower viscosity index, compared with that under atmospheric pressure. It could be speculated that such kinds of properties might be attributed to the smaller pore size during gelation under high pressure. Copyright © 2018. Published by Elsevier B.V.

Magnetic quantum phase transition in Cr-doped Bi 2(Se xTe 1-x) 3 driven by the Stark effect

DOE PAGES

Zhang, Zuocheng; Feng, Xiao; Wang, Jing; ...

2017-08-07

The interplay between magnetism and topology, as exemplified in the magnetic skyrmion systems, has emerged as a rich playground for finding novel quantum phenomena and applications in future information technology. Magnetic topological insulators (TI) have attracted much recent attention, especially after the experimental realization of quantum anomalous Hall effect. Future applications of magnetic TI hinge on the accurate manipulation of magnetism and topology by external perturbations, preferably with a gate electric field. In this work, we investigate the magneto transport properties of Cr doped Bi 2(Se xTe 1-x) 3 TI across the topological quantum critical point (QCP). We find thatmore » the external gate voltage has negligible effect on the magnetic order for samples far away from the topological QCP. However, for the sample near the QCP, we observe a ferromagnetic (FM) to paramagnetic (PM) phase transition driven by the gate electric field. Theoretical calculations show that a perpendicular electric field causes a shift of electronic energy levels due to the Stark effect, which induces a topological quantum phase transition and consequently a magnetic phase transition. Finally, the in situ electrical control of the topological and magnetic properties of TI shed important new lights on future topological electronic or spintronic device applications.« less

Front Range commuter bus study. Phase 2 : final report

DOT National Transportation Integrated Search

2003-10-01

The goal of Front Range Commuter Bus service would be to provide a commuter bus service that would operate seamlessly with local transit systems and would be run through a partnership with each of the cities, CDOT, RTD and participating private provi...

Label-free proteome profiling reveals developmental-dependent patterns in young barley grains.

PubMed

Kaspar-Schoenefeld, Stephanie; Merx, Kathleen; Jozefowicz, Anna Maria; Hartmann, Anja; Seiffert, Udo; Weschke, Winfriede; Matros, Andrea; Mock, Hans-Peter

2016-06-30

Due to its importance as a cereal crop worldwide, high interest in the determination of factors influencing barley grain quality exists. This study focusses on the elucidation of protein networks affecting early grain developmental processes. NanoLC-based separation coupled to label-free MS detection was applied to gain insights into biochemical processes during five different grain developmental phases (pre-storage until storage phase, 3days to 16days after flowering). Multivariate statistics revealed two distinct developmental patterns during the analysed grain developmental phases: proteins showed either highest abundance in the middle phase of development - in the transition phase - or at later developmental stages - within the storage phase. Verification of developmental patterns observed by proteomic analysis was done by applying hypothesis-driven approaches, namely Western Blot analysis and enzyme assays. High general metabolic activity of the grain with regard to protein synthesis, cell cycle regulation, defence against oxidative stress, and energy production via photosynthesis was observed in the transition phase. Proteins upregulated in the storage phase are related towards storage protein accumulation, and interestingly to the defence of storage reserves against pathogens. A mixed regulatory pattern for most enzymes detected in our study points to regulatory mechanisms at the level of protein isoforms. In-depth understanding of early grain developmental processes of cereal caryopses is of high importance as they influence final grain weight and quality. Our knowledge about these processes is still limited, especially on proteome level. To identify key mechanisms in early barley grain development, a label-free data-independent proteomics acquisition approach has been applied. Our data clearly show, that proteins either exhibit highest expression during cellularization and the switch to the storage phase (transition phase, 5-7 DAF), or during storage product accumulation (10-16 DAF). The results highlight versatile cellular metabolic activity in the transition phase and strong convergence towards storage product accumulation in the storage phase. Notably, both phases are characterized by particular protective mechanism, such as scavenging of oxidative stress and defence against pathogens, during the transition and the storage phase, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

Room-temperature NaI/H2O compression icing: solute-solute interactions.

PubMed

Zeng, Qingxin; Yao, Chuang; Wang, Kai; Sun, Chang Q; Zou, Bo

2017-10-11

In situ Raman spectroscopy revealed that transiting the concentrated NaI/H 2 O solutions to an ice VI phase and then into an ice VII phase at 298 K proceeds in a way different from that activated by the solute type. Unlike the solute type that raises both the critical pressures P C1 and P C2 , for the liquid-VI, the VI-VII transition simultaneously occurs in the Hofmeister series order: I > Br > Cl > F ∼ 0; concentration increase raises the P C1 faster than the P C2 that remains almost constant at higher NaI/H 2 O molecular number ratios. Concentration increase moves the P C1 along the liquid-VI phase boundary and it finally merges with P C2 at the triple-phase junction featured at 350 K and 3.05 GPa. The highly-deformed H-O bond is less sensitive to the concentration because of the involvement of anion-anion repulsion that weakens the electric field in the hydration shells. Observations confirm that the salt solvation lengthens the O:H nonbond and softens its phonon but relaxes the H-O bond contrastingly. Compression, however, has the opposite effect from that of salt solvation. Therefore, compression recovers the polarization-deformed O:H-O bond first and then proceeds to the phase transitions. The anion-anion interaction discriminates the effect of NaI/H 2 O concentration from that of the solute type at an identical concentration on the phase transitions.

Relationship between morphological change and crystalline phase transitions of polyethylene-poly(ethylene oxide) diblock copolymers, revealed by the temperature-dependent synchrotron WAXD/SAXS and infrared/Raman spectral measurements.

PubMed

Weiyu, Cao; Tashiro, Kohji; Hanesaka, Makoto; Takeda, Shinichi; Masunaga, Hiroyasu; Sasaki, Sono; Takata, Masaki

2009-02-26

The phase transition behaviors of low-molecular-weight polyethylene-poly(ethylene oxide) (PE-b-PEO) diblock copolymers with the monomeric units of PE/PEO = 17/40 and 39/86 have been successfully investigated through the temperature-dependent measurements of wide-angle X-ray diffraction (WAXD), small-angle X-ray scattering (SAXS), infrared and Raman spectra, as well as thermal analysis. These diblock copolymers had been believed to show only order-to-disorder transition of lamellar morphology in a wide temperature region, but it has been found here for the first time that this copolymer clearly exhibits the three stages of transitions among lamella, gyroid, cylinder, and spherical phases in the heating and cooling processes. The WAXD and IR/Raman spectral measurements allowed us to relate these morphological changes to the microscopic changes in the aggregation states of PEO and PE segments. In the low-temperature region the PEO segments form the monoclinic crystal of (7/2) helical chain conformation and the PE segments of planar-zigzag form take the orthorhombic crystalline phase. These crystalline lamellae of PEO and PE segments are alternately stacked with the long period of 165 Angstroms. In a higher temperature region, where the PEO crystalline parts are on the way of melting but the PE parts are still in the orthorhombic phase, the gyroid morphology is detected in the SAXS data. By heating further, the gyroid morphology changes to the hexagonally packed cylindrical morphology, where the orthorhombic phase of PE segments is gradually disordered because of thermally activated molecular motion and finally transforms to the pseudohexagonal or rotator phase. Once the PE segments are perfectly melted, the higher-order structure changes from the cylinder to the spherical morphology. These morphological transitions might relate to the thermally activated motions of two short chain segments of the diblock copolymer, although the details of the transition mechanism are unclear at the present stage.

Combining phase-field crystal methods with a Cahn-Hilliard model for binary alloys

NASA Astrophysics Data System (ADS)

Balakrishna, Ananya Renuka; Carter, W. Craig

2018-04-01

Diffusion-induced phase transitions typically change the lattice symmetry of the host material. In battery electrodes, for example, Li ions (diffusing species) are inserted between layers in a crystalline electrode material (host). This diffusion induces lattice distortions and defect formations in the electrode. The structural changes to the lattice symmetry affect the host material's properties. Here, we propose a 2D theoretical framework that couples a Cahn-Hilliard (CH) model, which describes the composition field of a diffusing species, with a phase-field crystal (PFC) model, which describes the host-material lattice symmetry. We couple the two continuum models via coordinate transformation coefficients. We introduce the transformation coefficients in the PFC method to describe affine lattice deformations. These transformation coefficients are modeled as functions of the composition field. Using this coupled approach, we explore the effects of coarse-grained lattice symmetry and distortions on a diffusion-induced phase transition process. In this paper, we demonstrate the working of the CH-PFC model through three representative examples: First, we describe base cases with hexagonal and square symmetries for two composition fields. Next, we illustrate how the CH-PFC method interpolates lattice symmetry across a diffuse phase boundary. Finally, we compute a Cahn-Hilliard type of diffusion and model the accompanying changes to lattice symmetry during a phase transition process.

A Multi-Model Analysis of the Cloud Phase Transition in 16 GCMs Using Satellite Observations (CALIPSO/GPCP) and Reanalysis Data (ECMWF/MERRA).

NASA Astrophysics Data System (ADS)

Cesana, G.; Waliser, D. E.; Jiang, X.; Li, J. L. F.

2014-12-01

The ubiquitous presence of clouds within the troposphere contributes to modulate the radiative balance of the earth-atmosphere system. Depending on their cloud phase, clouds may have different microphysical and macrophysical properties, and hence, different radiative effects. In this study, we took advantage of climate runs from the GASS-YoTC and AMIP multi-model experiments to document the differences associated to the cloud phase parameterizations of 16 GCMs. A particular emphasize has been put on the vertical structure of the transition between liquid and ice in clouds. A way to intercompare the models regardless of their cloud fraction is to study the ratio of the ice mass to the total mass of the condensed water. To address the challenge of evaluating the modeled cloud phase, we profited from the cloud phase climatology so called CALIPSO-GOCCP, which separates liquid clouds from ice clouds at global scale, with a high vertical resolution (480m), above all surfaces. We also used reanalysis data and GPCP satellite observations to investigate the influence of the temperature, the relative humidity, the vertical wind speed and the precipitations on the cloud phase transition. In 12 (of 16) models, there are too few super cooled liquid in clouds compared to observations, mostly in the high troposphere. We exhibited evidences of the link between the cloud phase transition and the humidity, the vertical wind speed as well as the precipitations. Some cloud phase schemes are more affected by the humidity and the vertical velocity and some other by the precipitations. Although a few models can reproduce the observe relation between cloud phase and temperature, humidity, vertical velocity or precipitations, none of them perform well for all the parameters. An important result of this study is that the T-dependent phase parameterizations do not allow simulating the complexity of the observed cloud phase transition. Unfortunately, more complex microphysics schemes do not succeed to reproduce all the processes neither. Finally, thanks to the combined use of CALIPSO-GOCCP and ECMWF water vapor pressure, we showed an updated version of the Clausius-Clapeyron water vapor phase diagram. This diagram represents a new tool to improve the simulation of the cloud phase transition in climate models.

Phase transitions in community detection: A solvable toy model

NASA Astrophysics Data System (ADS)

Ver Steeg, Greg; Moore, Cristopher; Galstyan, Aram; Allahverdyan, Armen

2014-05-01

Recently, it was shown that there is a phase transition in the community detection problem. This transition was first computed using the cavity method, and has been proved rigorously in the case of q = 2 groups. However, analytic calculations using the cavity method are challenging since they require us to understand probability distributions of messages. We study analogous transitions in the so-called “zero-temperature inference” model, where this distribution is supported only on the most likely messages. Furthermore, whenever several messages are equally likely, we break the tie by choosing among them with equal probability, corresponding to an infinitesimal random external field. While the resulting analysis overestimates the thresholds, it reproduces some of the qualitative features of the system. It predicts a first-order detectability transition whenever q > 2 (as opposed to q > 4 according to the finite-temperature cavity method). It also has a regime analogous to the “hard but detectable” phase, where the community structure can be recovered, but only when the initial messages are sufficiently accurate. Finally, we study a semisupervised setting where we are given the correct labels for a fraction ρ of the nodes. For q > 2, we find a regime where the accuracy jumps discontinuously at a critical value of ρ.

Unusual ground states in {R_5T_4X_{10}} (R  =  rare earth; T  =  Rh, Ir; and X  =  Si, Ge, Sn): a review

NASA Astrophysics Data System (ADS)

Ramakrishnan, S.; van Smaalen, Sander

2017-11-01

Rare earth compounds of the type R_5T_4X10 (R  =  rare earth; T  =  Rh, Ir, and X  =  Si, Ge, Sn) display a variety of phase transitions towards exotic states, including charge density waves (CDW), local moment magnetism, antiferromagnetism in the heavy fermion state, superconductivity and giant positive magnetoresistance. They support strongly correlated electron systems. In particular, R 5Ir4 Si10 (R  =  Dy-Lu) exhibit strong coupling CDWs with high transition temperatures, and superconductivity or magnetic ordering at lower temperatures. R_5T4 Ge10 (R  =  Gd-Tm T  =  Co, Rh, Ir) show multiple magnetic transitions with large magnetoresistance below the magnetic transitions. Finally, the light rare earth series R_5T4 Sn10 (R  =  Ce, Pr, Nd; T  =  Rh, Ir) display heavy fermion behaviour (for Ce and Pr) or possess giant positive magnetoresistance (for Nd) at low temperatures. This review provides a comprehensive overview of compounds, crystal structures and phase transitions. This is followed by an in-depth discussion of the mechanisms of the phase transitions and the properties of the ordered states.

High-Density Quantum Sensing with Dissipative First Order Transitions

NASA Astrophysics Data System (ADS)

Raghunandan, Meghana; Wrachtrup, Jörg; Weimer, Hendrik

2018-04-01

The sensing of external fields using quantum systems is a prime example of an emergent quantum technology. Generically, the sensitivity of a quantum sensor consisting of N independent particles is proportional to √{N }. However, interactions invariably occurring at high densities lead to a breakdown of the assumption of independence between the particles, posing a severe challenge for quantum sensors operating at the nanoscale. Here, we show that interactions in quantum sensors can be transformed from a nuisance into an advantage when strong interactions trigger a dissipative phase transition in an open quantum system. We demonstrate this behavior by analyzing dissipative quantum sensors based upon nitrogen-vacancy defect centers in diamond. Using both a variational method and a numerical simulation of the master equation describing the open quantum many-body system, we establish the existence of a dissipative first order transition that can be used for quantum sensing. We investigate the properties of this phase transition for two- and three-dimensional setups, demonstrating that the transition can be observed using current experimental technology. Finally, we show that quantum sensors based on dissipative phase transitions are particularly robust against imperfections such as disorder or decoherence, with the sensitivity of the sensor not being limited by the T2 coherence time of the device. Our results can readily be applied to other applications in quantum sensing and quantum metrology where interactions are currently a limiting factor.

High-Density Quantum Sensing with Dissipative First Order Transitions.

PubMed

Raghunandan, Meghana; Wrachtrup, Jörg; Weimer, Hendrik

2018-04-13

The sensing of external fields using quantum systems is a prime example of an emergent quantum technology. Generically, the sensitivity of a quantum sensor consisting of N independent particles is proportional to sqrt[N]. However, interactions invariably occurring at high densities lead to a breakdown of the assumption of independence between the particles, posing a severe challenge for quantum sensors operating at the nanoscale. Here, we show that interactions in quantum sensors can be transformed from a nuisance into an advantage when strong interactions trigger a dissipative phase transition in an open quantum system. We demonstrate this behavior by analyzing dissipative quantum sensors based upon nitrogen-vacancy defect centers in diamond. Using both a variational method and a numerical simulation of the master equation describing the open quantum many-body system, we establish the existence of a dissipative first order transition that can be used for quantum sensing. We investigate the properties of this phase transition for two- and three-dimensional setups, demonstrating that the transition can be observed using current experimental technology. Finally, we show that quantum sensors based on dissipative phase transitions are particularly robust against imperfections such as disorder or decoherence, with the sensitivity of the sensor not being limited by the T_{2} coherence time of the device. Our results can readily be applied to other applications in quantum sensing and quantum metrology where interactions are currently a limiting factor.

Nonlocal optical response in topological phase transitions in the graphene family

DOE PAGES

Rodriguez-Lopez, Pablo; de Melo Kort-Kamp, Wilton Junior; Dalvit, Diego Alejandro Roberto; ...

2018-01-22

We investigate the electromagnetic response of staggered two-dimensional materials of the graphene family, including silicene, germanene, and stanene, as they are driven through various topological phase transitions using external fields. Utilizing Kubo formalism, we compute their optical conductivity tensor taking into account the frequency and wave vector of the electromagnetic excitations, and study its behavior over the full electronic phase diagram of the materials. In particular, we find that the resonant behavior of the nonlocal Hall conductivity is strongly affected by the various topological phases present in these materials. We also consider the plasmon excitations in the graphene family andmore » find that nonlocality in the optical response can affect the plasmon dispersion spectra of the various phases. Here, we find a regime of wave vectors for which the plasmon relations for phases with trivial topology are essentially indistinguishable, while those for phases with nontrivial topology are distinct and are redshifted as the corresponding Chern number increases. Finally, the expressions for the conductivity components are valid for the entire graphene family and can be readily used by others.« less

Nonlocal optical response in topological phase transitions in the graphene family

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodriguez-Lopez, Pablo; de Melo Kort-Kamp, Wilton Junior; Dalvit, Diego Alejandro Roberto

We investigate the electromagnetic response of staggered two-dimensional materials of the graphene family, including silicene, germanene, and stanene, as they are driven through various topological phase transitions using external fields. Utilizing Kubo formalism, we compute their optical conductivity tensor taking into account the frequency and wave vector of the electromagnetic excitations, and study its behavior over the full electronic phase diagram of the materials. In particular, we find that the resonant behavior of the nonlocal Hall conductivity is strongly affected by the various topological phases present in these materials. We also consider the plasmon excitations in the graphene family andmore » find that nonlocality in the optical response can affect the plasmon dispersion spectra of the various phases. Here, we find a regime of wave vectors for which the plasmon relations for phases with trivial topology are essentially indistinguishable, while those for phases with nontrivial topology are distinct and are redshifted as the corresponding Chern number increases. Finally, the expressions for the conductivity components are valid for the entire graphene family and can be readily used by others.« less

Multimodel evaluation of cloud phase transition using satellite and reanalysis data

NASA Astrophysics Data System (ADS)

Cesana, G.; Waliser, D. E.; Jiang, X.; Li, J.-L. F.

2015-08-01

We take advantage of climate simulations from two multimodel experiments to characterize and evaluate the cloud phase partitioning in 16 general circulation models (GCMs), specifically the vertical structure of the transition between liquid and ice in clouds. We base our analysis on the ratio of ice condensates to the total condensates (phase ratio, PR). Its transition at 90% (PR90) and its links with other relevant variables are evaluated using the GCM-Oriented Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation Cloud Product climatology, reanalysis data, and other satellite observations. In 13 of 16 models, the PR90 transition height occurs too low (6 km to 8.4 km) and at temperatures too warm (-13.9°C to -32.5°C) compared to observations (8.6 km, -33.7°C); features consistent with a lack of supercooled liquid with respect to ice above 6.5 km. However, this bias would be slightly reduced by using the lidar simulator. In convective regimes (more humid air and precipitation), the observed cloud phase transition occurs at a warmer temperature than for subsidence regimes (less humid air and precipitation). Only few models manage to roughly replicate the observed correlations with humidity (5/16), vertical velocity (5/16), and precipitation (4/16); 3/16 perform well for all these parameters (MPI-ESM, NCAR-CAM5, and NCHU). Using an observation-based Clausius-Clapeyron phase diagram, we illustrate that the Bergeron-Findeisen process is a necessary condition for models to represent the observed features. Finally, the best models are those that include more complex microphysics.

In Situ X-ray Diffraction Studies of Li(sub x)Mn(sub 2)O(sub 4) Cathode Materials by Synchrotron X-ray Radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, X. Q.; Sun, X.; Lee, S. J.

In Situ x-ray diffraction studies on Li{sub x}Mn{sub 2}O{sub 4} spinel cathode materials during charge-discharge cycles were carried out by using a synchrotron as x-ray source. Lithium rich (x = 1.03-1.06) spinel materials obtained from two different sources were studied. Three cubic phases with different lattice constants were observed during charge-discharge cycles in all the samples when a Sufficiently low charge-discharge rate (C/10) was used. There are two regions of two-phase coexistence between these three phases, indicating that both phase transitions are first order. The separation of the Bragg peaks representing these three phases varies from sample to sample andmore » also depends on the charge-discharge rate. These results show that the de-intercalation of lithium in lithium-rich spinel cathode materials proceeds through a series of phase transitions from a lithium-rich phase to a lithium-poor phase and finally to a {lambda}-MnO{sub 2} like cubic phase, rather than through a continuous lattice constant contraction in a single phase.« less

Influence of initial seed distribution on the pattern formation of the phase field crystals

NASA Astrophysics Data System (ADS)

Starodumov, Ilya; Galenko, Peter; Kropotin, Nikolai; Alexandrov, Dmitri V.

2017-11-01

The process of crystal growth can be expressed as a transition of atomic structure to a finally stable state or to a metastable state. In the Phase Field Crystal Model (PFC-model) these states are described by regular distributions of the atomic density. Getting the system into any metastable condition may be caused by the peculiarities of the computational domain, initial and boundary conditions. However, an important factor in the formation of the crystal structure can be the initial disturbance. In the report we show how different types of initial disturbance can change the finally stable state of crystal structure in equilibrium.

A Study of Production of Miscibility Gap Alloys with Controlled Structures

NASA Technical Reports Server (NTRS)

Parr, R. A.; Johnston, M. H.; Burka, J. A.; Davis, J. H.; Lee, J. A.

1983-01-01

Composite materials were directionally solidified using a new technique to align the constituents longitudinally along the length of the specimen. In some instances a tin coating was applied and diffused into the sample to form a high transition temperature superconducting phase. The superconducting properties were measured and compared with the properties obtained for powder composites and re-directionally solidified powder compacts. The samples which were compacted and redirectionally solidified showed the highest transition temperature and wildest transition range. This indicates that both steps, powder compaction and resolidification, determine the final superconducting properties of the material.

Phase transition in a spatial Lotka-Volterra model

NASA Astrophysics Data System (ADS)

Szabó, György; Czárán, Tamás

2001-06-01

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

Effects of Gravity on Cocurrent Two-Phase Gas-Liquid Flows Through Packed Columns

NASA Technical Reports Server (NTRS)

Motil, Brian J.; Balakotaiah, Vemuri; Kamotani, Yasuhiro

2001-01-01

This work presents the experimental results of research on the influence of gravity on flow pattern transitions, pressure drop and flow characteristics for cocurrent gas-liquid two-phase flow through packed columns. The flow pattern transition data indicates that the pulse flow regime exists over a wider range of gas and liquid flow rates under reduced gravity conditions compared to normal gravity cocurrent down-flow. This is illustrated by comparing the flow regime transitions found in reduced gravity with the transitions predicted by Talmor. Next, the effect of gravity on the total pressure drop in a packed column is shown to depend on the flow regime. The difference is roughly equivalent to the liquid static head for bubbly flow but begins to decrease at the onset of pulse flow. As the spray flow regime is approached by increasing the gas to liquid ratio, the effect of gravity on pressure drop becomes negligible. Finally, gravity tends to suppress the amplitude of each pressure pulse. An example of this phenomenon is presented.

Kinetic mechanism for reversible structural transition in MoTe2 induced by excess charge carriers

NASA Astrophysics Data System (ADS)

Rubel, O.

2018-06-01

Kinetic of a reversible structural transition between insulating (2H) and metallic (1T ') phases in a monolayer MoTe2 due to an electrostatic doping is studied using first-principle calculations. The driving force for the structural transition is the energy gained by transferring excess electrons from the bottom of the conduction band to lower energy gapless states in the metallic phase as have been noticed in earlier studies. The corresponding structural transformation involves dissociation of Mo-Te bonds (one per formula unit), which results in a kinetic energy barrier of 0.83 eV. The transformation involves a consecutive movement of atoms similar to a domain wall motion. The presence of excess charge carriers modifies not only the total energy of the initial and final states, but also lowers an energy of the transition state. An experimentally observed hysteresis in the switching process can be attributed to changes in the kinetic energy barrier due to its dependence on the excess carrier density.

Phase stability of transition metals and alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hixson, R.S.; Schiferl, D.; Wills, J.M.

1997-06-01

This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project was focused on resolving unexplained differences in calculated and measured phase transition pressures in transition metals. Part of the approach was to do new, higher accuracy calculations of transmission pressures for group 4B and group 6B metals. Theory indicates that the transition pressures for these baseline metals should change if alloyed with a d-electron donor metal, and calculations done using the Local Density Approximation (LDA) and the Virtual Crystal Approximation (VCA) indicate that this is true. Alloymore » systems were calculated for Ti, Zr and Hf based alloys with various solute concentrations. The second part of the program was to do new Diamond Anvil Cell (DAC) measurements to experimentally verify calculational results. Alloys were prepared for these systems with grain size suitable for Diamond Anvil Cell experiments. Experiments were done on pure Ti as well as Ti-V and Ti-Ta alloys. Measuring unambiguous transition pressures for these systems proved difficult, but a new technique developed yielded good results.« less

Multiple Phase Transitions in the model multiferroic BiFeO3

NASA Astrophysics Data System (ADS)

Kreisel, Jens

2012-02-01

Bismuth ferrite BiFeO3 (BFO) is commonly considered a model system for multiferroics, and is perhaps the only material that is both magnetic and a ferroelectric with a strong electric polarization at 300K [1]. Despite numerous investigations, the crystal structures of BFO as a function of temperature and pressure are still not established and lead to ongoing controversial reports in the literature [1,3]. Besides being a model multiferroic, BFO is also one of the very few materials that present both octahedra tilts and strong cation displacements at room temperature. Here we report the high-pressure phase transitions in BFO by both synchrotron x-ray diffraction and Raman spectroscopy, namely a surprising richness of six phase transitions in the 0--60 GPa range [2-3]. At low pressures, 4 transitions are evidenced at 4, 6, 7 and 11 GPa. In this range, the crystals display in that range unusual large unit cells and complex domain structures, which suggests a competition between complex tilt systems and possibly off-center cation displacements. The non polar Pnma phase remains stable over a large pressure range between 11 and 38 GPa. The two high pressure phase transitions at 38 and 48 GPa are marked by the occurrence of larger unit cells and an increase of the distortion away from the cubic parent perovskite cell. The previously reported insulator-to-metal transition appears to be symmetry breaking. Finally, we will present a new schematic P-T phase diagram for BFO and discuss the recently reported phase transition in highly strained BFO films [4,5] in the light of our high-pressure findings. [4pt] [1] G. Catalan, J. F. Scott, Advanced Materials 21, 1 (2009).[0pt] [2] R. Haumont et al., Phys. Rev. B 79, 184110 (2009).[0pt] [3] M. Guennou et al., Phys. Rev. B 2011, accepted http://arxiv.org/abs/1108.0704.2011[0pt] [4] J. Kreisel et al. J. Phys.: Cond. Matt. 23, 342202 (2011).[0pt] [5] W. Siemons et al. Appl. Phys. Express 4 (2011).

Hybrid phase transition into an absorbing state: Percolation and avalanches

NASA Astrophysics Data System (ADS)

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

2016-04-01

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

Resonant di-Higgs boson production in the b b ¯ W W channel: Probing the electroweak phase transition at the LHC

DOE PAGES

Huang, T.; No, J. M.; Pernié, L.; ...

2017-08-11

Here, we analyze the prospects for resonant di-Higgs production searches at the LHC in themore » $$b\\bar{b}$$W +W − (W +→ℓ +ν ℓ, W −→ℓ −$$\\bar{v}$$ ℓ) channel, as a probe of the nature of the electroweak phase transition in Higgs portal extensions of the Standard Model. In order to maximize the sensitivity in this final state, we develop a new algorithm for the reconstruction of the $$b\\bar{b}$$W +W − invariant mass in the presence of neutrinos from the W decays, building from a technique developed for the reconstruction of resonances decaying to τ +τ − pairs. We show that resonant di-Higgs production in the $$b\\bar{b}$$W +W − channel could be a competitive probe of the electroweak phase transition already with the data sets to be collected by the CMS and ATLAS experiments in run 2 of the LHC. The increase in sensitivity with larger amounts of data accumulated during the high-luminosity LHC phase can be sufficient to enable a potential discovery of the resonant di-Higgs production in this channel.« less

Resonant di-Higgs boson production in the b b ¯ W W channel: Probing the electroweak phase transition at the LHC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, T.; No, J. M.; Pernié, L.

Here, we analyze the prospects for resonant di-Higgs production searches at the LHC in themore » $$b\\bar{b}$$W +W − (W +→ℓ +ν ℓ, W −→ℓ −$$\\bar{v}$$ ℓ) channel, as a probe of the nature of the electroweak phase transition in Higgs portal extensions of the Standard Model. In order to maximize the sensitivity in this final state, we develop a new algorithm for the reconstruction of the $$b\\bar{b}$$W +W − invariant mass in the presence of neutrinos from the W decays, building from a technique developed for the reconstruction of resonances decaying to τ +τ − pairs. We show that resonant di-Higgs production in the $$b\\bar{b}$$W +W − channel could be a competitive probe of the electroweak phase transition already with the data sets to be collected by the CMS and ATLAS experiments in run 2 of the LHC. The increase in sensitivity with larger amounts of data accumulated during the high-luminosity LHC phase can be sufficient to enable a potential discovery of the resonant di-Higgs production in this channel.« less

Rényi entropy of the totally asymmetric exclusion process

NASA Astrophysics Data System (ADS)

Wood, Anthony J.; Blythe, Richard A.; Evans, Martin R.

2017-11-01

The Rényi entropy is a generalisation of the Shannon entropy that is sensitive to the fine details of a probability distribution. We present results for the Rényi entropy of the totally asymmetric exclusion process (TASEP). We calculate explicitly an entropy whereby the squares of configuration probabilities are summed, using the matrix product formalism to map the problem to one involving a six direction lattice walk in the upper quarter plane. We derive the generating function across the whole phase diagram, using an obstinate kernel method. This gives the leading behaviour of the Rényi entropy and corrections in all phases of the TASEP. The leading behaviour is given by the result for a Bernoulli measure and we conjecture that this holds for all Rényi entropies. Within the maximal current phase the correction to the leading behaviour is logarithmic in the system size. Finally, we remark upon a special property of equilibrium systems whereby discontinuities in the Rényi entropy arise away from phase transitions, which we refer to as secondary transitions. We find no such secondary transition for this nonequilibrium system, supporting the notion that these are specific to equilibrium cases.

The kinetics of heterogeneous nucleation and growth: an approach based on a grain explicit model

NASA Astrophysics Data System (ADS)

Rouet-Leduc, B.; Maillet, J.-B.; Denoual, C.

2014-04-01

A model for phase transitions initiated on grain boundaries is proposed and tested against numerical simulations: this approach, based on a grain explicit model, allows us to consider the granular structure, resulting in accurate predictions for a wide span of nucleation processes. Comparisons are made with classical models of homogeneous (JMAK: Johnson and Mehl 1939 Trans. Am. Inst. Min. Eng. 135 416; Avrami 1939 J. Chem. Phys. 7 1103; Kolmogorov 1937 Bull. Acad. Sci. USSR, Mat. Ser. 1 335) as well as heterogeneous (Cahn 1996 Thermodynamics and Kinetics of Phase Transformations Im et al (Pittsburgh: Materials Research Society)) nucleation. A transition scale based on material properties is proposed, allowing us to discriminate between random and site-saturated regimes. Finally, we discuss the relationship between an Avrami-type exponent and the transition regime, establishing conditions for its extraction from experiments.

Roughness exponent in two-dimensional percolation, Potts model, and clock model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Redinz, Jose Arnaldo; Martins, Marcelo Lobato

We present a numerical study of the self-affine profiles obtained from configurations of the q-state Potts (with q=2,3, and 7) and p=10 clock models as well as from the occupation states for site percolation on the square lattice. The first and second order static phase transitions of the Potts model are located by a sharp change in the value of the roughness exponent {alpha} characterizing those profiles. The low temperature phase of the Potts model corresponds to flat ({alpha}{approx_equal}1) profiles, whereas its high temperature phase is associated with rough ({alpha}{approx_equal}0.5) ones. For the p=10 clock model, in addition to themore » flat (ferromagnetic) and rough (paramagnetic) profiles, an intermediate rough (0.5{lt}{alpha}{lt}1) phase{emdash}associated with a soft spin-wave one{emdash}is observed. Our results for the transition temperatures in the Potts and clock models are in agreement with the static values, showing that this approach is able to detect the phase transitions in these models directly from the spin configurations, without any reference to thermodynamical potentials, order parameters, or response functions. Finally, we show that the roughness exponent {alpha} is insensitive to geometric critical phenomena.« less

Reentrant equilibrium disordering in nanoparticle–polymer mixtures

DOE PAGES

Meng, Dong; Kumar, Sanat K.; Grest, Gary S.; ...

2017-01-31

A large body of experimental work has established that athermal colloid/polymer mixtures undergo a sequence of transitions from a disordered fluid state to a colloidal crystal to a second disordered phase with increasing polymer concentration. These transitions are driven by polymer-mediated interparticle attraction, which is a function of both the polymer density and size. It has been posited that the disordered state at high polymer density is a consequence of strong interparticle attractions that kinetically inhibit the formation of the colloidal crystal, i.e., the formation of a non-equilibrium gel phase interferes with crystallization. Here we use molecular dynamics simulations andmore » density functional theory on polymers and nanoparticles (NPs) of comparable size and show that the crystal-disordered phase coexistence at high polymer density for sufficiently long chains corresponds to an equilibrium thermodynamic phase transition. While the crystal is, indeed, stabilized at intermediate polymer density by polymer-induced intercolloid attractions, it is destabilized at higher densities because long chains lose significant configurational entropy when they are forced to occupy all of the crystal voids. Finally, our results are in quantitative agreement with existing experimental data and show that, at least in the nanoparticle limit of sufficiently small colloidal particles, the crystal phase only has a modest range of thermodynamic stability.« less

Phase restructuring in transition metal dichalcogenides for highly stable energy storage

DOE PAGES

Leng, Kai; Chen, Zhongxin; Zhao, Xiaoxu; ...

2016-09-16

Achieving homogeneous phase transition and uniform charge distribution is essential for good cycle stability and high capacity when phase conversion materials are used as electrodes. Herein, we show that chemical lithiation of bulk 2H-MoS 2 distorts its crystalline domains in three primary directions to produce mosaic-like 1T' nanocrystalline domains, which improve phase and charge uniformity during subsequent electrochemical phase conversion. 1T'-Li xMoS 2, a macroscopic dense material with interconnected nanoscale grains, shows excellent cycle stability and rate capability in a lithium rechargeable battery compared to bulk or exfoliated-restacked MoS 2. Transmission electron microscopy studies reveal that the interconnected MoS 2more » nanocrystals created during the phase change process are reformable even after multiple cycles of galvanostatic charging/discharging, which allows them to play important roles in the long term cycling performance of the chemically intercalated TMD materials. Finally, these studies shed light on how bulk TMDs can be processed into quasi-2D nanophase material for stable energy storage.« less

Vacancy-stabilized crystalline order in hard cubes

PubMed Central

Smallenburg, Frank; Filion, Laura; Marechal, Matthieu; Dijkstra, Marjolein

2012-01-01

We examine the effect of vacancies on the phase behavior and structure of systems consisting of hard cubes using event-driven molecular dynamics and Monte Carlo simulations. We find a first-order phase transition between a fluid and a simple cubic crystal phase that is stabilized by a surprisingly large number of vacancies, reaching a net vacancy concentration of approximately 6.4% near bulk coexistence. Remarkably, we find that vacancies increase the positional order in the system. Finally, we show that the vacancies are delocalized and therefore hard to detect. PMID:23012241

A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fechter, Stefan, E-mail: stefan.fechter@iag.uni-stuttgart.de; Munz, Claus-Dieter, E-mail: munz@iag.uni-stuttgart.de; Rohde, Christian, E-mail: Christian.Rohde@mathematik.uni-stuttgart.de

The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevantmore » physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.« less

In search of attachment: a qualitative study of chronically ill women transitioning between family physicians in rural Ontario, Canada.

PubMed

Randall, Ellen; Crooks, Valorie A; Goldsmith, Laurie J

2012-12-23

Most Canadians receive basic health services from a family physician and these physicians are particularly critical in the management of chronic disease. Canada, however, has an endemic shortage of family physicians. Physician shortages and turnover are particularly acute in rural regions, leaving their residents at risk of needing to transition between family physicians. The knowledge base about how patients manage transitioning in a climate of scarcity remains nascent. The purpose of this study is to explore the experience of transitioning for chronically ill, rurally situated Canadian women to provide insight into if and how the system supports transitioning patients and to identify opportunities for enhancing that support. Chronically ill women managing rheumatic diseases residing in two rural counties in the province of Ontario were recruited to participate in face-to-face, semi-structured interviews. Interview transcripts were analysed thematically to identify emergent themes associated with the transitioning experience. Seventeen women participated in this study. Ten had experienced transitioning and four with long-standing family physicians anticipated doing so soon. The remaining three expressed concerns about transitioning. Thematic analysis revealed the presence of a transitioning trajectory with three phases. The detachment phase focused on activities related to the termination of a physician-patient relationship, including haphazard notification tactics and the absence of referrals to replacement physicians. For those unable to immediately find a new doctor, there was a phase of unattachment during which patients had to improvise ways to receive care from alternative providers or walk-in clinics. The final phase, attachment, was characterized by acceptance into the practice of a new family physician. Participants often found transitioning challenging, largely due to perceived gaps in support from the health care system. Barriers to a smooth transition included inadequate notification procedures, lack of formal assistance finding new physicians, and unsatisfactory experiences seeking care during unattachment. The participants' accounts reveal opportunities for a stronger system presence during transition and a need for further research into alternative models of primary care delivery.

Current transport properties and phase diagram of a Kitaev chain with long-range pairing

NASA Astrophysics Data System (ADS)

Giuliano, Domenico; Paganelli, Simone; Lepori, Luca

2018-04-01

We describe a method to probe the quantum phase transition between the short-range topological phase and the long-range topological phase in the superconducting Kitaev chain with long-range pairing, both exhibiting subgap modes localized at the edges. The method relies on the effects of the finite mass of the subgap edge modes in the long-range regime (which survives in the thermodynamic limit) on the single-particle scattering coefficients through the chain connected to two normal leads. Specifically, we show that, when the leads are biased at a voltage V with respect to the superconducting chain, the Fano factor is either zero (in the short-range correlated phase) or 2 e (in the long-range correlated phase). As a result, we find that the Fano factor works as a directly measurable quantity to probe the quantum phase transition between the two phases. In addition, we note a remarkable "critical fractionalization effect" in the Fano factor, which is exactly equal to e along the quantum critical line. Finally, we note that a dual implementation of our proposed device makes it suitable as a generator of large-distance entangled two-particle states.

Emergence of higher order rotational symmetry in the hidden order phase of URu 2Si 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kanchanavatee, N.; Janoschek, M.; Huang, K.

2016-09-30

Electrical resistivity measurements were performed in this paper as functions of temperature, magnetic field, and angle θ between the magnetic field and the c-axis of a URu 2Si 2 single crystal. The resistivity exhibits a two-fold oscillation as a function of θ at high temperatures, which undergoes a 180°-phase shift (sign change) with decreasing temperature at around 35 K. The hidden order transition is manifested as a minimum in the magnetoresistance and amplitude of the two-fold oscillation. Interestingly, the resistivity also showed four-fold, six-fold, and eight-fold symmetries at the hidden order transition. These higher order symmetries were also detected atmore » low temperatures, which could be a sign of the formation of another pseudogap phase above the superconducting transition, consistent with recent evidence for a pseudogap from point-contact spectroscopy measurements and NMR. Measurements of the magnetisation of single crystalline URu 2Si 2 with the magnetic field applied parallel and perpendicular to the crystallographic c-axis revealed regions with linear temperature dependencies between the hidden order transition temperature and about 25 K. Finally, this T-linear behaviour of the magnetisation may be associated with the formation of a precursor phase or ‘pseudogap’ in the density of states in the vicinity of 30–35 K.« less

Experimental realization of extraordinary acoustic transmission using Helmholtz resonators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crow, Brian C.; Cullen, Jordan M.; McKenzie, William W.

2015-02-15

The phenomenon of extraordinary acoustic transmission through a solid barrier with an embedded Helmholtz resonator (HR) is demonstrated. The Helmholtz resonator consists of an embedded cavity and two necks that protrude, one on each side of the barrier. Extraordinary transmission occurs for a narrow spectral range encompassing the resonant frequency of the Helmholtz resonator. We show that an amplitude transmission of 97.5% is achieved through a resonator whose neck creates an open area of 6.25% of the total barrier area. In addition to the enhanced transmission, we show that there is a smooth, continuous phase transition in the transmitted soundmore » as a function of frequency. The frequency dependent phase transition is used to experimentally realize slow wave propagation for a narrow-band Gaussian wave packet centered at the maximum transmission frequency. The use of parallel pairs of Helmholtz resonators tuned to different resonant frequencies is experimentally explored as a means of increasing the transmission bandwidth. These experiments show that because of the phase transition, there is always a frequency between the two Helmholtz resonant frequencies at which destructive interference occurs whether the resonances are close or far apart. Finally, we explain how the phase transition associated with Helmholtz-resonator-mediated extraordinary acoustic transmission can be exploited to produce diffractive acoustic components including sub-wavelength thickness acoustic lenses.« less

Contact processes with competitive dynamics in bipartite lattices: effects of distinct interactions

NASA Astrophysics Data System (ADS)

Pianegonda, Salete; Fiore, Carlos E.

2014-05-01

The two-dimensional contact process (CP) with a competitive dynamics proposed by Martins et al (2011 Phys. Rev. E 84 011125) leads to the appearance of an unusual active-asymmetric phase, in which the system sublattices are unequally populated. It differs from the usual CP only by the fact that particles also interact with their next-nearest neighbor sites via a distinct strength creation rate, and for the inclusion of an inhibition effect, proportional to the local density. Aimed at investigating the robustness of such an asymmetric phase, in this paper we study the influence of distinct interactions for two bidimensional CPs. In the first model, the interaction between first neighbors requires a minimal neighborhood of adjacent particles for creating new offspring, whereas second neighbors interact as usual (e.g. at least one neighboring particle is required). The second model takes the opposite situation, in which the restrictive dynamics is in the interaction between next-nearest neighbor sites. Both models are investigated under mean field theory (MFT) and Monte Carlo simulations. In similarity with results by Martins et al, the inclusion of distinct sublattice interactions maintains the occurrence of an asymmetric active phase and re-entrant transition lines. In contrast, remarkable differences are presented, such as discontinuous phase transitions (even between the active phases), the appearance of tricritical points and the stabilization of active phases under larger values of control parameters. Finally, we have shown that the critical behaviors are not altered due to the change of interactions, in which the absorbing transitions belong to the directed percolation (DP) universality class, whereas second-order active phase transitions belong to the Ising universality class.

Cation–Eutectic Transition via Sublattice Melting in CuInP 2S 6/In 4/3P 2S 6 van der Waals Layered Crystals

DOE PAGES

Susner, Michael A.; Chyasnavichyus, Marius; Puretzky, Alexander A.; ...

2017-07-07

Single crystals of the van der Waals layered ferrielectric material CuInP 2S 6 spontaneously phase separate when synthesized with Cu deficiency. In this paper, we identify a route to form and tune intralayer heterostructures between the corresponding ferrielectric (CuInP 2S 6) and paraelectric (In 4/3P 2S 6) phases through control of chemical phase separation. We conclusively demonstrate that Cu-deficient Cu 1–xIn 1+x/3P 2S 6 forms a single phase at high temperature. We also identify the mechanism by which the phase separation proceeds upon cooling. Above 500 K both Cu + and In 3+ become mobile, while P 2S 6 4–more » anions maintain their structure. We therefore propose that this transition can be understood as eutectic melting on the cation sublattice. Such a model suggests that the transition temperature for the melting process is relatively low because it requires only a partial reorganization of the crystal lattice. As a result, varying the cooling rate through the phase transition controls the lateral extent of chemical domains over several decades in size. At the fastest cooling rate, the dimensional confinement of the ferrielectric CuInP 2S 6 phase to nanoscale dimensions suppresses ferrielectric ordering due to the intrinsic ferroelectric size effect. Finally, intralayer heterostructures can be formed, destroyed, and re-formed by thermal cycling, thus enabling the possibility of finely tuned ferroic structures that can potentially be optimized for specific device architectures.« less

Cation–Eutectic Transition via Sublattice Melting in CuInP 2S 6/In 4/3P 2S 6 van der Waals Layered Crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Susner, Michael A.; Chyasnavichyus, Marius; Puretzky, Alexander A.

Single crystals of the van der Waals layered ferrielectric material CuInP 2S 6 spontaneously phase separate when synthesized with Cu deficiency. In this paper, we identify a route to form and tune intralayer heterostructures between the corresponding ferrielectric (CuInP 2S 6) and paraelectric (In 4/3P 2S 6) phases through control of chemical phase separation. We conclusively demonstrate that Cu-deficient Cu 1–xIn 1+x/3P 2S 6 forms a single phase at high temperature. We also identify the mechanism by which the phase separation proceeds upon cooling. Above 500 K both Cu + and In 3+ become mobile, while P 2S 6 4–more » anions maintain their structure. We therefore propose that this transition can be understood as eutectic melting on the cation sublattice. Such a model suggests that the transition temperature for the melting process is relatively low because it requires only a partial reorganization of the crystal lattice. As a result, varying the cooling rate through the phase transition controls the lateral extent of chemical domains over several decades in size. At the fastest cooling rate, the dimensional confinement of the ferrielectric CuInP 2S 6 phase to nanoscale dimensions suppresses ferrielectric ordering due to the intrinsic ferroelectric size effect. Finally, intralayer heterostructures can be formed, destroyed, and re-formed by thermal cycling, thus enabling the possibility of finely tuned ferroic structures that can potentially be optimized for specific device architectures.« less

Nature of phase transitions in Axelrod-like coupled Potts models in two dimensions

NASA Astrophysics Data System (ADS)

Gandica, Yerali; Chiacchiera, Silvia

2016-03-01

We study F coupled q -state Potts models in a two-dimensional square lattice. The interaction between the different layers is attractive to favor a simultaneous alignment in all of them, and its strength is fixed. The nature of the phase transition for zero field is numerically determined for F =2 ,3 . Using the Lee-Kosterlitz method, we find that it is continuous for F =2 and q =2 , whereas it is abrupt for higher values of q and/or F . When a continuous or a weakly first-order phase transition takes place, we also analyze the properties of the geometrical clusters. This allows us to determine the fractal dimension D of the incipient infinite cluster and to examine the finite-size scaling of the cluster number density via data collapse. A mean-field approximation of the model, from which some general trends can be determined, is presented too. Finally, since this lattice model has been recently considered as a thermodynamic counterpart of the Axelrod model of social dynamics, we discuss our results in connection with this one.

Nature of phase transitions in Axelrod-like coupled Potts models in two dimensions.

PubMed

Gandica, Yerali; Chiacchiera, Silvia

2016-03-01

We study F coupled q-state Potts models in a two-dimensional square lattice. The interaction between the different layers is attractive to favor a simultaneous alignment in all of them, and its strength is fixed. The nature of the phase transition for zero field is numerically determined for F = 2,3. Using the Lee-Kosterlitz method, we find that it is continuous for F = 2 and q = 2, whereas it is abrupt for higher values of q and/or F. When a continuous or a weakly first-order phase transition takes place, we also analyze the properties of the geometrical clusters. This allows us to determine the fractal dimension D of the incipient infinite cluster and to examine the finite-size scaling of the cluster number density via data collapse. A mean-field approximation of the model, from which some general trends can be determined, is presented too. Finally, since this lattice model has been recently considered as a thermodynamic counterpart of the Axelrod model of social dynamics, we discuss our results in connection with this one.

Two-dimensional limit of crystalline order in perovskite membrane films

DOE PAGES

Hong, Seung Sae; Yu, Jung Ho; Lu, Di; ...

2017-11-17

Long-range order and phase transitions in two-dimensional (2D) systems—such as magnetism, superconductivity, and crystallinity—have been important research topics for decades. The issue of 2D crystalline order has reemerged recently, with the development of exfoliated atomic crystals. Understanding the dimensional limit of crystalline phases, with different types of bonding and synthetic techniques, is at the foundation of low-dimensional materials design. We study ultrathin membranes of SrTiO 3, an archetypal perovskite oxide with isotropic (3D) bonding. Atomically controlled membranes are released after synthesis by dissolving an underlying epitaxial layer. Although all unreleased films are initially single-crystalline, the SrTiO 3 membrane lattice collapsesmore » below a critical thickness (5 unit cells). This crossover from algebraic to exponential decay of the crystalline coherence length is analogous to the 2D topological Berezinskii-Kosterlitz-Thouless (BKT) transition. Finally, the transition is likely driven by chemical bond breaking at the 2D layer-3D bulk interface, defining an effective dimensional phase boundary for coherent crystalline lattices.« less

Structural optimization of structured carbon-based energy-storing composite materials used in space vehicles.

PubMed

Yu, Jia; Yu, Zhichao; Tang, Chenlong

2016-07-04

The hot work environment of electronic components in the instrument cabin of spacecraft was researched, and a new thermal protection structure, namely graphite carbon foam, which is an impregnated phase-transition material, was adopted to implement the thermal control on the electronic components. We used the optimized parameters obtained from ANSYS to conduct 2D optimization, 3-D modeling and simulation, as well as the strength check. Finally, the optimization results were verified by experiments. The results showed that after optimization, the structured carbon-based energy-storing composite material could reduce the mass and realize the thermal control over electronic components. This phase-transition composite material still possesses excellent temperature control performance after its repeated melting and solidifying.

Generic dynamical phase transition in one-dimensional bulk-driven lattice gases with exclusion

NASA Astrophysics Data System (ADS)

Lazarescu, Alexandre

2017-06-01

Dynamical phase transitions are crucial features of the fluctuations of statistical systems, corresponding to boundaries between qualitatively different mechanisms of maintaining unlikely values of dynamical observables over long periods of time. They manifest themselves in the form of non-analyticities in the large deviation function of those observables. In this paper, we look at bulk-driven exclusion processes with open boundaries. It is known that the standard asymmetric simple exclusion process exhibits a dynamical phase transition in the large deviations of the current of particles flowing through it. That phase transition has been described thanks to specific calculation methods relying on the model being exactly solvable, but more general methods have also been used to describe the extreme large deviations of that current, far from the phase transition. We extend those methods to a large class of models based on the ASEP, where we add arbitrary spatial inhomogeneities in the rates and short-range potentials between the particles. We show that, as for the regular ASEP, the large deviation function of the current scales differently with the size of the system if one considers very high or very low currents, pointing to the existence of a dynamical phase transition between those two regimes: high current large deviations are extensive in the system size, and the typical states associated to them are Coulomb gases, which are highly correlated; low current large deviations do not depend on the system size, and the typical states associated to them are anti-shocks, consistently with a hydrodynamic behaviour. Finally, we illustrate our results numerically on a simple example, and we interpret the transition in terms of the current pushing beyond its maximal hydrodynamic value, as well as relate it to the appearance of Tracy-Widom distributions in the relaxation statistics of such models. , which features invited work from the best early-career researchers working within the scope of J. Phys. A. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Alexandre Lazarescu was selected by the Editorial Board of J. Phys. A as an Emerging Talent.

Phase Transitions in the Early Universe: The Cosmology of Non-Minimal Scalar Sectors

NASA Astrophysics Data System (ADS)

Kost, Jeffrey D.

Light scalar fields such as axions and string moduli can play an important role in early-universe cosmology. However, many factors can significantly impact their late-time cosmological abundances. For example, in cases where the potentials for these fields are generated dynamically--such as during cosmological mass-generating phase transitions--the duration of the time interval required for these potentials to fully develop can have significant repercussions. Likewise, in scenarios with multiple scalars, mixing amongst the fields can also give rise to an effective timescale that modifies the resulting late-time abundances. Previous studies have focused on the effects of either the first or the second timescale in isolation. In this thesis, by contrast, we examine the new features that arise from the interplay between these two timescales when both mixing and time-dependent phase transitions are introduced together. First, we find that the effects of these timescales can conspire to alter not only the total late-time abundance of the system--often by many orders of magnitude--but also its distribution across the different fields. Second, we find that these effects can produce large parametric resonances which render the energy densities of the fields highly sensitive to the degree of mixing as well as the duration of the time interval over which the phase transition unfolds. Finally, we find that these effects can even give rise to a "re-overdamping" phenomenon which causes the total energy density of the system to behave in novel ways that differ from those exhibited by pure dark matter or vacuum energy. All of these features therefore give rise to new possibilities for early-universe phenomenology and cosmological evolution. They also highlight the importance of taking into account the time dependence associated with phase transitions in cosmological settings. In the second part of this thesis, we proceed to study the early-universe cosmology of a Kaluza-Klein (KK) tower of scalar fields in the presence of a mass-generating phase transition, focusing on the time-development of the total tower energy density (or relic abundance) as well as its distribution across the different KK modes. We find that both of these features are extremely sensitive to the details of the phase transition and can behave in a variety of ways significant for late-time cosmology. In particular, we find that the interplay between the temporal properties of the phase transition and the mixing it generates are responsible for both enhancements and suppressions in the late-time abundances, sometimes by many orders of magnitude. We map out the complete model parameter space and determine where traditional analytical approximations are valid and where they fail. In the latter cases we also provide new analytical approximations which successfully model our results. Finally, we apply this machinery to the example of an axion-like field in the bulk, mapping these phenomena over an enlarged axion parameter space that extends beyond those accessible to standard treatments. An important by-product of our analysis is the development of an alternate "UV-based" effective truncation of KK theories which has a number of interesting theoretical properties that distinguish it from the more traditional "IR-based" truncation typically used in the literature.

Chiral phase structure of three flavor QCD at vanishing baryon number density

DOE PAGES

Bazavov, A.; Ding, H. -T.; Hegde, P.; ...

2017-04-12

In this paper, we investigate the phase structure of QCD with three degenerate quark flavors as a function of the degenerate quark masses at vanishing baryon number density. We use the highly improved staggered quarks on lattices with temporal extent N τ = 6 and perform calculations for six values of quark masses, which in the continuum limit correspond to pion masses in the range 80 MeV ≲ m π ≲ 230 MeV. By analyzing the volume and temperature dependence of the chiral condensate and chiral susceptibility, we find no direct evidence for a first-order phase transition in this rangemore » of pion mass values. Finally, relying on the universal scaling behaviors of the chiral observables near an anticipated chiral critical point, we estimate an upper bound for the critical pion mass m c π ≲ 50 MeV, below which a region of first-order chiral phase transition is favored.« less

Graphene oxide liquid crystals: synthesis, phase transition, rheological property, and applications in optoelectronics and display.

PubMed

Lin, Feng; Tong, Xin; Wang, Yanan; Bao, Jiming; Wang, Zhiming M

2015-12-01

Graphene oxide (GO) liquid crystals (LCs) are macroscopically ordered GO flakes dispersed in water or polar organic solvents. Since the first report in 2011, GO LCs have attracted considerable attention for their basic properties and potential device applications. In this review, we summarize recent developments and present a comprehensive understanding of GO LCs via many aspects ranging from the exfoliation of GO flakes from graphite, to phases and phase transitions under various conditions, the orientational responses of GO under external magnetic and electric fields, and finally Kerr effect and display applications. The emphasis is placed on the unique and basic properties of GO and their ordered assembly. We will also discuss challenges and issues that need to be overcome in order to gain a more fundamental understanding and exploit full device potentials of GO LCs.

Thermo-structural analysis and electrical conductivity behavior of epoxy/metals composites

NASA Astrophysics Data System (ADS)

Boumedienne, N.; Faska, Y.; Maaroufi, A.; Pinto, G.; Vicente, L.; Benavente, R.

2017-05-01

This paper reports on the elaboration and characterization of epoxy resin filled with metallic particles powder (aluminum, tin and zinc) composites. The scanning electron microscopy (SEM) pictures, density measurements and x-ray diffraction analysis (DRX) showed a homogeneous phase of obtained composites. The differential scanning calorimetry revealed a good adherence at matrix-filler interfaces, confirming the SEM observations. The measured glass transition temperatures depend on composites fillers' nature. Afterwards, the electrical conductivity of composites versus their fillers' contents has been investigated. The obtained results depict a nonlinear behavior, indicating an insulator to conductor phase transition at a conduction threshold; with high contrast of ten decades. Hence, the elaborated materials give a possibility to obtain dielectric or electrically conducting phases, which can to be interesting in the choice of desired applications. Finally, the obtained results have been successfully simulated on the basis of different percolation models approach combined with structural characterization inferences.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bazavov, A.; Ding, H. -T.; Hegde, P.

In this paper, we investigate the phase structure of QCD with three degenerate quark flavors as a function of the degenerate quark masses at vanishing baryon number density. We use the highly improved staggered quarks on lattices with temporal extent N τ = 6 and perform calculations for six values of quark masses, which in the continuum limit correspond to pion masses in the range 80 MeV ≲ m π ≲ 230 MeV. By analyzing the volume and temperature dependence of the chiral condensate and chiral susceptibility, we find no direct evidence for a first-order phase transition in this rangemore » of pion mass values. Finally, relying on the universal scaling behaviors of the chiral observables near an anticipated chiral critical point, we estimate an upper bound for the critical pion mass m c π ≲ 50 MeV, below which a region of first-order chiral phase transition is favored.« less

Transverse susceptibility as a probe of the magnetocrystalline anisotropy-driven phase transition in Pr0.5Sr0.5CoO3

NASA Astrophysics Data System (ADS)

Frey Huls, N. A.; Bingham, N. S.; Phan, M. H.; Srikanth, H.; Stauffer, D. D.; Leighton, C.

2011-01-01

Half-doped Pr1-xSrxCoO3 (x=0.5) displays anomalous magnetism, most notably manifest in the field-cooled magnetization versus temperature curves under different applied cooling fields. Recently, an explanation was advanced that a magnetocrystalline anisotropy transition driven by a structural transition at 120 K is the origin of this behavior. In this paper, we further elucidate the nature of the magnetic anisotropy across the low-temperature phase transition in this material by means of transverse susceptibility (TS) measurements performed using a self-resonant tunnel diode oscillator. TS probes magnetic materials by means of a small radio frequency oriented transverse to a dc field that sweeps from positive to negative saturation. TS scans as a function of field clearly reveal peaks associated with the anisotropy (HK) and switching fields (HS). When peak position is examined as a function of temperature, ˜120 K the signature of a ferromagnetic-to-ferromagnetic phase transition is evident as a sharp feature in HK and a corresponding cusp in HS. A third TS peak (not previously observed in other classes of magnetic oxides such as manganites and spinel ferrites) is found to be correlated with the crossover field (Hcr) in the unconventional magnetization versus temperature [M(T)] behavior. We observe a strong temperature dependence of Hcr at ˜120 K using this technique, which suggests the magnetic-field-influenced magnetocrystalline anisotropy transition. We show the switching between the high-field magnetization state and the low-field magnetization state associated with the magnetocrystalline anisotropy transition is irreversible when the magnetic field is recycled. Finally, we demonstrate that the TS peak magnitude indicates easy axis switching associated with this phase transition, even in these polycrystalline samples. Our results further confirm that TS provides new insights into the magnetic behavior of complex oxides.

Relative Influence of Intrinsic and Extrinsic Factors on the Metal-Insulator Transition of VO2 Nanowires

NASA Astrophysics Data System (ADS)

Kim, In Soo

The influence of stoichiometry on the metal-insulator transition of vanadium dioxide (VO2) nanowires was investigated using Raman spectroscopy. Controlled reduction of nominally strain-free suspended VO2 nanowires was conducted by rapid thermal annealing (RTA). The deficiency in oxygen assisted in the unprecedented suppression of the metallic (R) phase to temperatures as low as 103 K through generation of free electrons. In a complementary manner, oxygen-rich conditions stabilized the metastable monoclinic (M2) and triclinic (T) phases. A pseudo-phase diagram with dimensions of temperature and stoichiometry was established, highlighting the accessibility of new phases in the nanowire geometry. Detection of the dynamic elastic response across the metal-insulator transition in suspended VO2 nanowires was enabled by fiber-coupled polarization dependent interferometry. Dual-beam Raman spectroscopy was developed to determine the local domain/phase structure of VO2 nanowires, which allowed for accurate modeling using COMSOL finite element analysis (FEA). The Young's moduli of the single crystal insulating (M1) and metallic (R) phases without artifacts were determined for the first time. The sources of dissipation were identified as clamping losses, structural losses, thermoelastic damping, and domain wall motion. While contribution of thermoelastic damping was found to be dominant in the terminal phases, extraordinary dissipation was observed upon formation and movement of domain walls. Finally, it was shown that creation of local defects could lead to new classes of tunable sensors with a discrete and programmable frequency response with temperature.

Crystal structure, electrical transport and phase transition in 2-methoxyanilinium hexachlorido stannate(IV) dehydrate

NASA Astrophysics Data System (ADS)

Karoui, Sahel; Chouaib, Hassen; Kamoun, Slaheddine

2017-04-01

A new organic-inorganic (C7H10NO)2[SnCl6]2H2O compound was synthesized and characterized by X-ray diffraction, thermal analysis, NMR spectroscopy and dielectric measurements. The crystal structure refinement shows that this compound crystallizes at 298 K in the monoclinic system (P21/a space group (Z = 2)). The structure was solved by Patterson method and refined to a final value of R = 0.034 for 2207 independent observed reflections. The cohesion and stability of the atomic arrangement result from the establishment of Nsbnd H⋯Cl, O(W)sbnd H(W)⋯Cl and Nsbnd H⋯O(W) hydrogen bonds between (C7H10NO)+ cations, isolated (SnCl6)2- anions and water molecules. This compound exhibits a phase transition at 305 K which was characterized by differential scanning calorimetry (DSC), X-rays powder diffraction and dielectric measurements. At high frequency, the electrical σTot.(ω,T) conductivity obey to the Jonscher's power law σTot.(ω,T) = σDC(T) + B(T) ωS(T). DC and AC conductivity in (C7H10NO)2[SnCl6]2H2O was investigated revealing that the phase transition from the monoclinic P21/a (phase I) to the monoclinic C2/c (phase II) which occurs at 305 K is characterized by a change of the mechanism of the electric transport: SPT in phase I and CBH in phase II.

Critical behavior and microscopic structure of charged AdS black holes via an alternative phase space

NASA Astrophysics Data System (ADS)

Dehyadegari, Amin; Sheykhi, Ahmad; Montakhab, Afshin

2017-05-01

It has been argued that charged Anti-de Sitter (AdS) black holes have similar thermodynamic behavior as the Van der Waals fluid system, provided one treats the cosmological constant as a thermodynamic variable (pressure) in an extended phase space. In this paper, we disclose the deep connection between charged AdS black holes and Van der Waals fluid system from an alternative point of view. We consider the mass of an AdS black hole as a function of square of the charge Q2 instead of the standard Q, i.e. M = M (S ,Q2 , P). We first justify such a change of view mathematically and then ask if a phase transition can occur as a function of Q2 for fixed P. Therefore, we write the equation of state as Q2 =Q2 (T , Ψ) where Ψ (conjugate of Q2) is the inverse of the specific volume, Ψ = 1 / v. This allows us to complete the analogy of charged AdS black holes with Van der Waals fluid system and derive the phase transition as well as critical exponents of the system. We identify a thermodynamic instability in this new picture with real analogy to Van der Waals fluid with physically relevant Maxwell construction. We therefore study the critical behavior of isotherms in Q2- Ψ diagram and deduce all the critical exponents of the system and determine that the system exhibits a small-large black hole phase transition at the critical point (Tc , Qc2 ,Ψc). This alternative view is important as one can imagine such a change for a given single black hole i.e. acquiring charge which induces the phase transition. Finally, we disclose the microscopic properties of charged AdS black holes by using thermodynamic geometry. Interestingly, we find that scalar curvature has a gap between small and large black holes, and this gap becomes exceedingly large as one moves away from the critical point along the transition line. Therefore, we are able to attribute the sudden enlargement of the black hole to the strong repulsive nature of the internal constituents at the phase transition.

Raman spectroscopic studies of defect structures and phase transition in hyper-stoichiometric UO(2+x).

PubMed

He, Heming; Shoesmith, David

2010-07-28

A method to determine the defect structures in hyper-stoichiometric UO(2+x) using a combination of XRD and Raman spectroscopy has been developed. A sequence of phase transitions, from cubic to tetragonal symmetry, occurs with increasing degree of non-stoichiometry. This sequence proceeds from a cubic phase through an intermediate t''-type tetragonal (axial ratio c/a = 1) phase to a final t-type tetragonal (c/a not = 1) phase. Four distinct structural defect regions can be identified in the stoichiometry range, UO(2) to U(3)O(7): (i) a random point defect structure (x (in UO(2+x)) < or = 0.05); (ii) a non-stoichiometry region (0.05 < or = x < or = 0.15) over which point defects are gradually eliminated and replaced by the Willis 2:2:2 cluster; (iii) a mixture of Willis and cuboctahedral clusters (0.15 < or = x < or = 0.23); (iv) the cuboctahedral cluster (x > or = 0.23). The geometry and steric arrangement of these defects is primarily determined by the concentration of the excess-oxygen interstitials.

Triclinic-monoclinic-orthorhombic (T-M-O) structural transitions in phase diagram of FeVO4-CrVO4 solid solutions

NASA Astrophysics Data System (ADS)

Bera, Ganesh; Reddy, V. R.; Rambabu, P.; Mal, P.; Das, Pradip; Mohapatra, N.; Padmaja, G.; Turpu, G. R.

2017-09-01

Phase diagram of FeVO4-CrVO4 solid solutions pertinent with structural and magnetic phases is presented with unambiguous experimental evidences. Solid solutions Fe1-xCrxVO4 (0 ≤ x ≤ 1.0) were synthesized through the standard solid state route and studied by X-ray diffraction, scanning electron microscopy, energy dispersive spectra of X-rays, Raman spectroscopy, d.c. magnetization, and 57Fe Mössbauer spectroscopic studies. FeVO4 and CrVO4 were found to be in triclinic (P-1 space group) and orthorhombic structures (Cmcm space group), respectively. Cr incorporation into the FeVO4 lattice leads to the emergence of a new monoclinic phase dissimilar to the both end members of the solid solutions. In Fe1-xCrxVO4 up to x = 0.10, no discernible changes in the triclinic structure were found. A new structural monoclinic phase (C2/m space group) emerges within the triclinic phase at x = 0.125, and with the increase in Cr content, it gets stabilized with clear single phase signatures in the range of x = 0.175-0.25 as evidenced by the Rietveld analysis of the structures. Beyond x = 0.33, orthorhombic phase similar to CrVO4 (Cmcm space group) emerges and coexists with a monoclinic structure up to x = 0.85, which finally tends to stabilize in the range of x = 0.90-1.00. The Raman spectroscopic studies also confirm the structural transition. FeVO4 Raman spectra show the modes related to three nonequivalent V ions in the triclinic structure, where up to 42 Raman modes are observed in the present study. With the stabilization of structures having higher symmetry, the number of Raman modes decreases and the modes related to symmetry inequivalent sites collate into singular modes from the doublet structure. A systematic crossover from two magnetic transitions in FeVO4, at 21.5 K and 15.4 K to single magnetic transition in CrVO4, at 71 K (antiferromagnetic transition), is observed in magnetization studies. The intermediate solid solution with x = 0.15 shows two magnetic transitions, whereas in the compound with x = 0.33 one of the magnetic transitions disappears. 57Fe Mössbauer spectroscopic studies show a finger print evidence for disappearance of non-equivalent sites of Fe as the structure changes from Triclinic-Monoclinic-Orthorhombic phases with the increasing Cr content in Fe1-xCrxVO4. Comprehensive studies related to the structural changes in Fe1-xCrxVO4 solid solutions lead us to detailed phase diagrams which shall be characteristic for room temperature structural and temperature dependent magnetic transitions in these solid solutions, respectively.

Transition from wing to leg forces during landing in birds.

PubMed

Provini, Pauline; Tobalske, Bret W; Crandell, Kristen E; Abourachid, Anick

2014-08-01

Transitions to and from the air are critical for aerial locomotion and likely shaped the evolution of flying animals. Research on take-off demonstrates that legs generate greater body accelerations compared with wings, and thereby contribute more to initial flight velocity. Here, we explored coordination between wings and legs in two species with different wingbeat styles, and quantified force production of these modules during the final phase of landing. We used the same birds that we had previously studied during take-off: zebra finch (Taeniopygia guttata, N=4) and diamond dove (Geopelia cuneata, N=3). We measured kinematics using high-speed video, aerodynamics using particle image velocimetry, and ground-reaction forces using a perch mounted on a force plate. In contrast with the first three wingbeats of take-off, the final four wingbeats during landing featured ~2 times greater force production. Thus, wings contribute proportionally more to changes in velocity during the last phase of landing compared with the initial phase of take-off. The two species touched down at the same velocity (~1 m s(-1)), but they exhibited significant differences in the timing of their final wingbeat relative to touchdown. The ratio of average wing force to peak leg force was greater in diamond doves than in zebra finches. Peak ground reaction forces during landing were ~50% of those during take-off, consistent with the birds being motivated to control landing. Likewise, estimations of mechanical energy flux for both species indicate that wings produce 3-10 times more mechanical work within the final wingbeats of flight compared with the kinetic energy of the body absorbed by legs during ground contact. © 2014. Published by The Company of Biologists Ltd.

Optimal formation and enhanced superconductivity of Tl-1212 phase (Tl0.6Pb0.4)(Ba,Sr)CaCu2O7

NASA Astrophysics Data System (ADS)

Ranjbar, M. G.; Ghoranneviss, Mahmood; Abd-Shukor, R.

2018-06-01

The effect of heating temperature on the formation of Tl-1212 phase with nominal starting composition (Tl0.6Pb0.4)(Ba,Sr)CaCu2O7 (Tl-1212) is reported. The Ba-bearing Tl-1212 phase is normally prepared at around 900 °C while with Sr-bearing sample is prepared at a much higher temperature of around 1000 °C. This work was conducted to determine the optimal temperature to synthesis the Tl-1212 phase when the sample contains Ba and Sr with 1:1 ratio. (Tl0.6Pb0.4)(Ba,Sr)CaCu2O7 samples were prepared using the solid-state reaction method via the precursor route. In the final preparation stage, the samples were heated at 850, 870, 900, 920, 950, 970 and 1000 °C in oxygen flow. X-Ray diffraction patterns showed that most samples consisted of a mixed (Tl0.6Pb0.4)(Ba,Sr)Ca2Cu3O9 (Tl-1223) and Tl-1212 phase except for the sample heated at 970 °C which showed a single Tl-1212 phase and the sample heated at 850 °C which showed the Tl-1223 phase. The transition temperature measured by four-probe method showed that the sample heated at 970 °C exhibited the highest onset temperature of 118 K and zero-resistance temperature of 100 K. This transition temperature is higher than the usually reported value for the Tl-1212 phase. AC susceptibility measurements also showed the 970 °C heated sample with the highest transition temperature T c χ' = 109 K. The interplay of ionic radius (Ba2+ and Sr2+) decreases of the unit cell volume and changes in the internal lattice strain enhanced the transition temperature and the formation of the Tl-1212 phase.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice.

PubMed

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W; Poole, Peter H

2016-12-14

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W.; Poole, Peter H.

2016-12-01

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

β -B i2O3 under compression: Optical and elastic properties and electron density topology analysis

NASA Astrophysics Data System (ADS)

Pereira, A. L. J.; Gomis, O.; Sans, J. A.; Contreras-García, J.; Manjón, F. J.; Rodríguez-Hernández, P.; Muñoz, A.; Beltrán, A.

2016-06-01

We report a joint experimental and theoretical study of the optical properties of tetragonal bismuth oxide (β -B i2O3 ) at high pressure by means of optical absorption measurements combined with ab initio electronic band structure calculations. Our results are consistent with previous results that show the presence of a second-order isostructural phase transition in B i2O3 (from β to β') around 2 GPa and a phase transition above 15 GPa combined with a pressure-induced amorphization above 17-20 GPa. In order to further understand the pressure-induced phase transitions and amorphization occurring in β -B i2O3 , we theoretically studied the mechanical and dynamical stability of the tetragonal structures of β - and β'-B i2O3 at high pressure through calculations of their elastic constants, elastic stiffness coefficients, and phonon dispersion curves. The pressure dependence of the elastic stiffness coefficients and phonon dispersion curves confirms that the isostructural phase transition near 2 GPa is of ferroelastic nature. Furthermore, a topological study of the electron density shows that the ferroelastic transition is not caused by a change in number of critical points (cusp catastrophe), but by the equalization of the electron densities of both independent O atoms in the unit cell due to a local rise in symmetry. Finally, from theoretical simulations, β'-B i2O3 is found to be mechanically and dynamically stable at least up to 26.7 GPa under hydrostatic conditions; thus, the pressure-induced amorphization reported above 17-20 GPa in powder β'-B i2O3 using methanol-ethanol-water as pressure-transmitting medium could be related to the frustration of a reconstructive phase transition at room temperature and the presence of mechanical or dynamical instabilities under nonhydrostatic conditions.

Phase diagram of the disordered Bose-Hubbard model

NASA Astrophysics Data System (ADS)

Gurarie, V.; Pollet, L.; Prokof'Ev, N. V.; Svistunov, B. V.; Troyer, M.

2009-12-01

We establish the phase diagram of the disordered three-dimensional Bose-Hubbard model at unity filling which has been controversial for many years. The theorem of inclusions, proven by Pollet [Phys. Rev. Lett. 103, 140402 (2009)] states that the Bose-glass phase always intervenes between the Mott insulating and superfluid phases. Here, we note that assumptions on which the theorem is based exclude phase transitions between gapped (Mott insulator) and gapless phases (Bose glass). The apparent paradox is resolved through a unique mechanism: such transitions have to be of the Griffiths type when the vanishing of the gap at the critical point is due to a zero concentration of rare regions where extreme fluctuations of disorder mimic a regular gapless system. An exactly solvable random transverse field Ising model in one dimension is used to illustrate the point. A highly nontrivial overall shape of the phase diagram is revealed with the worm algorithm. The phase diagram features a long superfluid finger at strong disorder and on-site interaction. Moreover, bosonic superfluidity is extremely robust against disorder in a broad range of interaction parameters; it persists in random potentials nearly 50 (!) times larger than the particle half-bandwidth. Finally, we comment on the feasibility of obtaining this phase diagram in cold-atom experiments, which work with trapped systems at finite temperature.

NCI calculations for understanding a physical phase transition in (C6H14N2)[Mn(H2O)6](SeO4)2

NASA Astrophysics Data System (ADS)

Naïli, Houcine; François, Michel; Norquist, Alexander J.; Rekik, Walid

2017-12-01

An organically templated manganese selenate, (C6H14N2)[Mn(H2O)6](SeO4)2, has been synthesized by slow evaporation and crystallographically characterized. The title compound crystallizes at room temperature in the monoclinic centrosymmetric space group P21/n, with the following unit cell parameters: a = 7.2373(4) Å; b = 12.5600(7) Å; c = 10.1945(7) Å; β = 91.155(4)°, V = 926.50(10) Å3and Z = 2. Its crystal structure is built of manganese(II) cations coordinated by six water molecules in octahedral geometry, disordered dabcodiium cations and selenate anions, resulting in an extensive hydrogen-bonding network. Differential scanning calorimetry (DSC) measurement indicated that the precursor undergoes a reversible phase transition at about 216 and 218 K during the cooling and heating processes respectively. Below this temperature the title compound is noncentrosymmetric with space group P21 and lattice parameters a = 7.2033(8) Å; b = 12.4981(13) Å; c = 10.0888(11) Å; β = 91.281(2)°, V = 908.04(17) Å3 and Z = 2. The disorder-order transformation of the C atoms of (C6H14N2)2+ cation may drive the structural phase transition. The low temperature phase obtained by breaking symmetry presents a fully ordered structure. The noncovalent interaction (NCI) method was used not only to locate, quantify, and visualize intermolecular interactions in the high and low temperature phases but also to confirm the phase transition detected by DSC measurement. The thermal decomposition of this new compound proceeds through four stages giving rise to the manganese oxide as final product at 850 °C.

Global gene expression profiling of brown to white adipose tissue transformation in sheep reveals novel transcriptional components linked to adipose remodeling.

PubMed

Basse, Astrid L; Dixen, Karen; Yadav, Rachita; Tygesen, Malin P; Qvortrup, Klaus; Kristiansen, Karsten; Quistorff, Bjørn; Gupta, Ramneek; Wang, Jun; Hansen, Jacob B

2015-03-19

Large mammals are capable of thermoregulation shortly after birth due to the presence of brown adipose tissue (BAT). The majority of BAT disappears after birth and is replaced by white adipose tissue (WAT). We analyzed the postnatal transformation of adipose in sheep with a time course study of the perirenal adipose depot. We observed changes in tissue morphology, gene expression and metabolism within the first two weeks of postnatal life consistent with the expected transition from BAT to WAT. The transformation was characterized by massively decreased mitochondrial abundance and down-regulation of gene expression related to mitochondrial function and oxidative phosphorylation. Global gene expression profiling demonstrated that the time points grouped into three phases: a brown adipose phase, a transition phase and a white adipose phase. Between the brown adipose and the transition phase 170 genes were differentially expressed, and 717 genes were differentially expressed between the transition and the white adipose phase. Thirty-eight genes were shared among the two sets of differentially expressed genes. We identified a number of regulated transcription factors, including NR1H3, MYC, KLF4, ESR1, RELA and BCL6, which were linked to the overall changes in gene expression during the adipose tissue remodeling. Finally, the perirenal adipose tissue expressed both brown and brite/beige adipocyte marker genes at birth, the expression of which changed substantially over time. Using global gene expression profiling of the postnatal BAT to WAT transformation in sheep, we provide novel insight into adipose tissue plasticity in a large mammal, including identification of novel transcriptional components linked to adipose tissue remodeling. Moreover, our data set provides a useful resource for further studies in adipose tissue plasticity.

Polymorphism of POPE/cholesterol system: a 2H nuclear magnetic resonance and infrared spectroscopic investigation.

PubMed Central

Paré, C; Lafleur, M

1998-01-01

It is well established that cholesterol induces the formation of a liquid-ordered phase in phosphatidylcholine (PC) bilayers. The goal of this work is to examine the influence of cholesterol on phosphatidylethanolamine polymorphism. The behavior of 1-palmitoyl-2-oleoyl-phosphatidylethanolamine (POPE)/cholesterol mixtures was characterized using infrared and 2H nuclear magnetic resonance (NMR) spectroscopy (using POPE bearing a perdeuterated palmitoyl chain in the latter case). Our results reveal that cholesterol induces the formation of a liquid-ordered phase in POPE membranes, similar to those observed for various PC/cholesterol systems. However, the coexistence region of the gel and the liquid-ordered phases is different from that proposed for PC/cholesterol systems. The results indicate a progressive broadening of the gel-to-fluid phase transition, suggesting the absence of an eutectic. In addition, there is a progressive downshift of the end of the transition for cholesterol content higher than 10 mol %. Cholesterol has an ordering effect on the acyl chains of POPE, but it is less pronounced than for the PC equivalent. This study also shows that the cholesterol effect on the lamellar-to-hexagonal (L(alpha)-H(II)) phase transition is not monotonous. It shifts the transition toward the low temperatures between 0 and 30 mol % cholesterol but shifts it toward the high temperatures when cholesterol content is higher than 30 mol %. The change in conformational order of the lipid acyl chains, as probed by the shift of the symmetric methylene C-H stretching, shows concerted variations. Finally, we show that cholesterol maintains its chain ordering effect in the hexagonal phase. PMID:9533701

Complete phase diagram of rare-earth nickelates from first-principles

NASA Astrophysics Data System (ADS)

Varignon, Julien; Grisolia, Mathieu N.; Íñiguez, Jorge; Barthélémy, Agnès; Bibes, Manuel

2017-12-01

The structural, electronic and magnetic properties of AMO3 perovskite oxides, where M is a 3d transition metal, are highly sensitive to the geometry of the bonds between the metal-d and oxygen-p ions (through octahedra rotations and distortions) and to their level of covalence. This is particularly true in rare-earth nickelates RNiO3 that display a metal-insulator transition with complex spin orders tunable by the rare-earth size, and are on the border line between dominantly ionic (lighter elements) and covalent characters (heavier elements). Accordingly, computing their ground state is challenging and a complete theoretical description of their rich phase diagram is still missing. Here, using first-principles simulations, we successfully describe the electronic and magnetic experimental ground state of nickelates. We show that the insulating phase is characterized by a split of the electronic states of the two Ni sites (i.e., resembling low-spin 4+ and high-spin 2+) with a concomitant shift of the oxygen-2p orbitals toward the depleted Ni cations. Therefore, from the point of view of the charge, the two Ni sites appear nearly identical whereas they are in fact distinct. Performing such calculations for several nickelates, we built a theoretical phase diagram that reproduces all their key features, namely a systematic dependence of the metal-insulator transition with the rare-earth size and the crossover between a second to first order transition for R = Pr and Nd. Finally, our results hint at strategies to control the electronic and magnetic phases of perovskite oxides by fine tuning of the level of covalence.

Diffusion, Absorbing States, and Nonequilibrium Phase Transitions in Range Expansions and Evolution

NASA Astrophysics Data System (ADS)

Lavrentovich, Maxim Olegovich

The spatial organization of a population plays a key role in its evolutionary dynamics and growth. In this thesis, we study the dynamics of range expansions, in which populations expand into new territory. Focussing on microbes, we first consider how nutrients diffuse and are absorbed in a population, allowing it to grow. These nutrients may be absorbed before reaching the population interior, and this "nutrient shielding'' can confine the growth to a thin region on the population periphery. A thin population front implies a small local effective population size and enhanced number fluctuations (or genetic drift). We then study evolutionary dynamics under these growth conditions. In particular, we calculate the survival probability of mutations with a selective advantage occurring at the population front for two-dimensional expansions (e.g., along the surface of an agar plate), and three-dimensional expansions (e.g., an avascular tumor). We also consider the effects of irreversible, deleterious mutations which can lead to the loss of the advantageous mutation in the population via a "mutational meltdown,'' or non-equilibrium phase transition. We examine the effects of an inflating population frontier on the phase transition. Finally, we discuss how spatial dimension and frontier roughness influence range expansions of mutualistic, cross-feeding variants. We find here universal features of the phase diagram describing the onset of a mutualistic phase in which the variants remain mixed at long times.

Magnetic phase diagram of ErGe 1-xSi x (0

NASA Astrophysics Data System (ADS)

Thuéry, P.; El Maziani, F.; Clin, M.; Schobinger-Papamantellos, P.; Buschow, K. H. J.

1993-10-01

The composition-temperature magnetic phase diagram of ErGe 1- xSi x (0 < x < 1) has been deduced from the powder neutron diffraction investigation of the magnetic structure of several samples in the 1.5-15 K range. These compounds present an antiferromagnetic behaviour with 7.2 < TN < 11.5 K. Four magnetic phases are present: two that are commensurate with the crystal lattice (wavevectors (1/2,0,1/2) and (0,0,1/2) and two incommensurate (wavevectors (0,0, kz and ( k' x,0, k' z) with a slight deviation of kx, k' x and k' z from 1/2). Whatever x, an incommensurate phase appears below TN, the wavevector being (0,0, kz) for x < 0.40 and ( k' x,0, k' z) for x > 0.40. For 0.17 ≥ x ≤ 0.55, a first-order transition occurs as function of the temperature between these two phases. For x ≥ 0.65, a lock-in transition takes place at TIC, leading from the wavevector ( k' x,0, k' z) to (1/2,0,1/2), as was already observed in ErSi. Finally, for x < 0.17 or 0.55 < x < 0.65, the wavevectors of the incommensurate phases characterized by (0,0, kz) or ( k' x,0, k' z) respectively remain unchanged in the whole temperature range below TN. For x≥0.65, a small amount of a magnetic phase characterized by the wavevector (0,0, 1/2) coexists with the main phases, below a Néel temperature T' N slightly lower than TN. In all cases, the erbium magnetic moments are colinear along the orthorhombic α-axis; the arrangement of the moments in the commensurate phases is the same as in ErSi and the incommensurate orderings correspond to sine-wave amplitude modulations. A brief account on the theoretical interpretation of this phase diagram is finally given.

Nematic fluctuations in iron arsenides NaFeAs and LiFeAs probed by 75As NMR

NASA Astrophysics Data System (ADS)

Toyoda, Masayuki; Kobayashi, Yoshiaki; Itoh, Masayuki

2018-03-01

75As NMR measurements have been made on single crystals to study the nematic state in the iron arsenides NaFeAs, which undergoes a structural transition from a high-temperature (high-T ) tetragonal phase to a low-T orthorhombic phase at Ts=57 K and an antiferromagnetic transition at TN=42 K, and LiFeAs having a superconducting transition at Tc=18 K. We observe the in-plane anisotropy of the electric field gradient η even in the tetragonal phase of NaFeAs and LiFeAs, showing the local breaking of tetragonal C4 symmetry. Then, η is found to obey the Curie-Weiss (CW) law as well as in Ba (Fe1-xCox) 2As2 . The good agreement between η and the nematic susceptibility obtained by electronic Raman spectroscopy indicates that η is governed by the nematic susceptibility. From comparing η in NaFeAs and LiFeAs with η in Ba (Fe1-xCox) 2As2 , we discuss the carrier-doping dependence of the nematic susceptibility. The spin contribution to nematic susceptibility is also discussed from comparing the CW terms in η with the nuclear spin-lattice relaxation rate divided by temperature 1 /T1T . Finally, we discuss the nematic transition in the paramagnetic orthorhombic phase of NaFeAs from the in-plane anisotropy of 1 /T1T .

Bandgap behavior and singularity of the domain-induced light scattering through the pressure-induced ferroelectric transition in relaxor ferroelectric AxBa1-xNb2O6 (A: Sr,Ca)

NASA Astrophysics Data System (ADS)

Ruiz-Fuertes, J.; Gomis, O.; Segura, A.; Bettinelli, M.; Burianek, M.; Mühlberg, M.

2018-01-01

In this letter, we have investigated the electronic structure of AxBa1-xNb2O6 relaxor ferroelectrics on the basis of optical absorption spectroscopy in unpoled single crystals with A = Sr and Ca under high pressure. The direct character of the fundamental transition could be established by fitting Urbach's rule to the photon energy dependence of the absorption edge yielding bandgaps of 3.44(1) eV and 3.57(1) eV for A = Sr and Ca, respectively. The light scattering by ferroelectric domains in the pre-edge spectral range has been studied as a function of composition and pressure. After confirming with x-ray diffraction the occurrence of the previously observed ferroelectric to paraelelectric phase transition at 4 GPa, the light scattering produced by micro- and nano-ferroelectric domains at 3.3 eV in Ca0.28Ba0.72Nb2O6 has been probed. The direct bandgap remains virtually constant under compression with a drop of only 0.01 eV around the phase transition. Interestingly, we have also found that light scattering by the polar nanoregions in the paraelectric phase is comparable to the dispersion due to ferroelectric microdomains in the ferroelectric state. Finally, we have obtained that the bulk modulus of the ferroelectric phase of Ca0.28Ba0.72Nb2O6 is B0 = 222(9) GPa.

Transient coherence of media under strong phase modulation exploiting electromagnetically induced transparency

NASA Astrophysics Data System (ADS)

Shwa, David; Katz, Nadav

2014-08-01

When quantum systems are shifted faster than their transition and coupling time scales, their susceptibility is dramatically modified. We measure the optical susceptibility of a strongly modulated electromagnetically induced transparency system. Time vs detuning plots for different pump modulation frequencies reveal a transition between an adiabatic regime where a series of smooth pulses are created and a nonadiabatic regime where a strong transient oscillating response is added. Applying a magnetic field lifts the hyperfine level degeneracy, revealing an interference effect between the different magnetic level transients. We explore the dynamics of the magnetic and nonmagnetic cases and discuss their coherent nature. We finally combine the global phase of the transmitted pulses with the transient interference to achieve broadband magnetic sensing without losing the sensitivity of a single electromagnetically induced transparency line.

Imitation versus payoff: Duality of the decision-making process demonstrates criticality and consensus formation

NASA Astrophysics Data System (ADS)

Turalska, M.; West, B. J.

2014-11-01

We consider a dual model of decision making, in which an individual forms its opinion based on contrasting mechanisms of imitation and rational calculation. The decision-making model (DMM) implements imitating behavior by means of a network of coupled two-state master equations that undergoes a phase transition at a critical value of a control parameter. The evolutionary spatial game, being a generalization of the prisoner's dilemma game, is used to determine in objective fashion the cooperative or anticooperative strategy adopted by individuals. Interactions between two sources of dynamics increases the domain of initial states attracted to phase transition dynamics beyond that of the DMM network in isolation. Additionally, on average the influence of the DMM on the game increases the final observed fraction of cooperators in the system.

X-ray Spectroscopy and Magnetism in Mineralogy

NASA Astrophysics Data System (ADS)

Sainctavit, Philippe; Brice-Profeta, Sandrine; Gaudry, Emilie; Letard, Isabelle; Arrio, Marie-Anne

The objective of this paper is to present the kind of information that can be gained in the field of mineralogy from the use of x-ray magnetic spectroscopies. We review some of the questions that are unsettled and that could benefit from an interdisciplinary approach where magnetism, spectroscopy and mineralogy could be mixed. Most of the attention is focused on iron and some other 3d transition elements. The mineralogy of planetary cores and its relation with known meteorites are exemplified. The various oxide phases in the mantle and the nature of iron in these phases is also underlined. The presence of transition elements in insulating minerals and its relation with macroscopic properties such as the color of gemstones are reviewed. Finally an introduction to paleomagnetism is given with a special attention to nanomaghemites.

Topological Phase Transitions in the Photonic Spin Hall Effect

DOE PAGES

Kort-Kamp, Wilton Junior de Melo

2017-10-04

The recent synthesis of two-dimensional staggered materials opens up burgeoning opportunities to study optical spin-orbit interactions in semiconducting Dirac-like systems. In this work, we unveil topological phase transitions in the photonic spin Hall effect in the graphene family materials. It is shown that an external static electric field and a high frequency circularly polarized laser allow for active on-demand manipulation of electromagnetic beam shifts. The spin Hall effect of light presents a rich dependence with radiation degrees of freedom, and material properties, and features nontrivial topological properties. Finally, we discover that photonic Hall shifts are sensitive to spin and valleymore » properties of the charge carriers, providing an unprecedented pathway to investigate spintronics and valleytronics in staggered 2D semiconductors.« less

Spontaneous creation of Kibble-Zurek solitons in a Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Ferrari, Gabriele

2014-03-01

The Kibble-Zurek mechanism (KZM) describes the spontaneous formation of defects in systems that cross a second-order phase transition at a finite rate. The mechanism was first proposed in the context of cosmology to explain how, during the expansion of the early Universe, the rapid cooling below a critical temperature induced a cosmological phase transition resulting in the creation of domain structures. In fact, the KZM is ubiquitous in nature and regards both classical and quantum phase transitions. Experimental evidences have been observed in superfluid 3He, in superconducting films and rings and in ion chains. Bose-Einstein condensation in trapped dilute gases has been considered as an ideal platform for the KZM as the system is extremely clean, controllable and particularly suitable for the investigation of effects arising from the spatial inhomogeneities induced by the confinement. Quantized vortices produced in a pancake-shaped condensate by a fast quench across the transition temperature have been already observed, but their limited statistics prevented a test of the KZM scaling. The KZM has been studied across the quantum superfluid to Mott insulator transition with atomic gases trapped in optical lattices. Here we report on the observation of solitons resulting from phase defects of the order parameter, spontaneously created in an elongated Bose-Einstein condensate of sodium atoms. We show that the number of solitons in the final condensate grows according to a power-law as a function of the rate at which the transition is crossed, consistent with the expectations of the KZM, and provide the first indication of the KZM scaling with the sonic horizon. We support our observations by comparing the estimated speed of the transition front in the gas to the speed of the sonic causal horizon, showing that solitons are produced in a regime of inhomogeneous Kibble-Zurek mechanism.

Spontaneous creation of Kibble-Zurek solitons in a Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Ferrari, Gabriele

2014-05-01

The Kibble-Zurek mechanism (KZM) describes the spontaneous formation of defects in systems that cross a second-order phase transition at a finite rate. The mechanism was first proposed in the context of cosmology to explain how, during the expansion of the early Universe, the rapid cooling below a critical temperature induced a cosmological phase transition resulting in the creation of domain structures. In fact, the KZM is ubiquitous in nature and regards both classical and quantum phase transitions. Experimental evidences have been observed in superfluid 3He, in superconducting films and rings and in ion chains. Bose-Einstein condensation in trapped dilute gases has been considered as an ideal platform for the KZM as the system is extremely clean, controllable and particularly suitable for the investigation of effects arising from the spatial inhomogeneities induced by the confinement. Quantized vortices produced in a pancake-shaped condensate by a fast quench across the transition temperature have been already observed, but their limited statistics prevented a test of the KZM scaling. The KZM has been studied across the quantum superfluid to Mott insulator transition with atomic gases trapped in optical lattices. Here we report on the observation of solitons resulting from phase defects of the order parameter, spontaneously created in an elongated Bose-Einstein condensate of sodium atoms. We show that the number of solitons in the final condensate grows according to a power-law as a function of the rate at which the transition is crossed, consistent with the expectations of the KZM, and provide the first indication of the KZM scaling with the sonic horizon. We support our observations by comparing the estimated speed of the transition front in the gas to the speed of the sonic causal horizon, showing that solitons are produced in a regime of inhomogeneous Kibble-Zurek mechanism. We will address the role of vortex-solitons in our measurements.

Theory of the vortex-clustering transition in a confined two-dimensional quantum fluid

NASA Astrophysics Data System (ADS)

Yu, Xiaoquan; Billam, Thomas P.; Nian, Jun; Reeves, Matthew T.; Bradley, Ashton S.

2016-08-01

Clustering of like-sign vortices in a planar bounded domain is known to occur at negative temperature, a phenomenon that Onsager demonstrated to be a consequence of bounded phase space. In a confined superfluid, quantized vortices can support such an ordered phase, provided they evolve as an almost isolated subsystem containing sufficient energy. A detailed theoretical understanding of the statistical mechanics of such states thus requires a microcanonical approach. Here we develop an analytical theory of the vortex clustering transition in a neutral system of quantum vortices confined to a two-dimensional disk geometry, within the microcanonical ensemble. The choice of ensemble is essential for identifying the correct thermodynamic limit of the system, enabling a rigorous description of clustering in the language of critical phenomena. As the system energy increases above a critical value, the system develops global order via the emergence of a macroscopic dipole structure from the homogeneous phase of vortices, spontaneously breaking the Z2 symmetry associated with invariance under vortex circulation exchange, and the rotational SO (2 ) symmetry due to the disk geometry. The dipole structure emerges characterized by the continuous growth of the macroscopic dipole moment which serves as a global order parameter, resembling a continuous phase transition. The critical temperature of the transition, and the critical exponent associated with the dipole moment, are obtained exactly within mean-field theory. The clustering transition is shown to be distinct from the final state reached at high energy, known as supercondensation. The dipole moment develops via two macroscopic vortex clusters and the cluster locations are found analytically, both near the clustering transition and in the supercondensation limit. The microcanonical theory shows excellent agreement with Monte Carlo simulations, and signatures of the transition are apparent even for a modest system of 100 vortices, accessible in current Bose-Einstein condensate experiments.

Metal-insulator and charge ordering transitions in oxide nanostructures

NASA Astrophysics Data System (ADS)

Singh, Sujay Kumar

Strongly correlated oxides are a class of materials wherein interplay of various degrees of freedom results in novel electronic and magnetic phenomena. Vanadium oxides are widely studied correlated materials that exhibit metal-insulator transitions (MIT) in a wide temperature range from 70 K to 380 K. In this Thesis, results from electrical transport measurements on vanadium dioxide (VO2) and vanadium oxide bronze (MxV 2O5) (where M: alkali, alkaline earth, and transition metal cations) are presented and discussed. Although the MIT in VO2 has been studied for more than 50 years, the microscopic origin of the transition is still debated since a slew of external parameters such as light, voltage, and strain are found to significantly alter the transition. Furthermore, recent works on electrically driven switching in VO2 have shown that the role of Joule heating to be a major cause as opposed to electric field. We explore the mechanisms behind the electrically driven switching in single crystalline nanobeams of VO2 through DC and AC transport measurements. The harmonic analysis of the AC measurement data shows that non-uniform Joule heating causes electronic inhomogeneities to develop within the nanobeam and is responsible for driving the transition in VO2. Surprisingly, field assisted emission mechanisms such as Poole-Frenkel effect is found to be absent and the role of percolation is also identified in the electrically driven transition. This Thesis also provides a new insight into the mechanisms behind the electrolyte gating induced resistance modulation and the suppression of MIT in VO2. We show that the metallic phase of VO2 induced by electrolyte gating is due to an electrochemical process and can be both reversible and irreversible under different conditions. The kinetics of the redox processes increase with temperature; a complete suppression of the transition and the stabilization of the metallic phase are achievable by gating in the rutile metallic phase. First principles calculations show that the destabilization of the insulating phase during the gating arises due to the formation of oxygen vacancies in VO2; the rutile phase is far more amenable to electrochemical reduction as compared to the monoclinic phase, likely due to its higher electrical conductivity. The generation of oxygen vacancies appears thermodynamically favorable if the removed oxygen atoms from VO2 oxidize the anions in the ionic liquid. Finally, electronic properties of single crystalline, individual nanowires of vanadium oxide bronzes (MxVO 2O5) are presented. The intercalation effects of metal cation and the stoichiometry (x) are explored and discussed. These nanowires exhibit thermally and electrically driven charge ordering and metal to insulator transitions. The electrolyte gating measurements show resistance modulations across the phase transition but the effect is not as dramatic as in VO2.

Coupling of demixing and magnetic ordering phase transitions probed by turbidimetric measurements in a binary mixture doped with magnetic nanoparticles.

PubMed

Hernández-Díaz, Lorenzo; Hernández-Reta, Juan Carlos; Encinas, Armando; Nahmad-Molinari, Yuri

2010-05-19

We present a novel study on the effect of a magnetic field applied on a binary mixture doped with magnetic nanoparticles close to its demixing transition. Turbidity measurements in the Faraday configuration show that the effect of applying an external field produces changes in the critical opalescence of the mixture that allow us to track an aggregation produced by critical Casimir forces and a reversible aggregation due to the formation of chain-like flocks in response to the external magnetic field. The observation of a crossover of the aggregation curves through optical signals is interpreted as the evolution from low to high power dispersion nuclei due to an increase in the radius of the condensation seed brought about by Casimir or magnetic interactions. Finally, evidence of an enhanced magnetocaloric effect due to the coupling between mixing and ordering phase transitions is presented which opens up a nonsolid state approach of designing refrigerating cycles and devices.

Superconducting dome in doped quasi-two-dimensional organic Mott insulators: A paradigm for strongly correlated superconductivity

NASA Astrophysics Data System (ADS)

Hébert, Charles-David; Sémon, Patrick; Tremblay, A.-M. S.

2015-11-01

Layered organic superconductors of the BEDT family are model systems for understanding the interplay of the Mott transition with superconductivity, magnetic order, and frustration, ingredients that are essential to understand superconductivity also in the cuprate high-temperature superconductors. Recent experimental studies on a hole-doped version of the organic compounds reveals an enhancement of superconductivity and a rapid crossover between two different conducting phases above the superconducting dome. One of these phases is a Fermi liquid, the other not. Using plaquette cellular dynamical mean field theory with state-of-the-art continuous-time quantum Monte Carlo calculations, we study this problem with the two-dimensional Hubbard model on the anisotropic triangular lattice. Phase diagrams as a function of temperature T and interaction strength U /t are obtained for anisotropy parameters t'=0.4 t ,t'=0.8 t and for various fillings. As in the case of the cuprates, we find, at finite doping, a first-order transition between two normal-state phases. One of theses phases has a pseudogap while the other does not. At temperatures above the critical point of the first-order transition, there is a Widom line where crossovers occur. The maximum (optimal) superconducting critical temperature Tcm at finite doping is enhanced by about 25% compared with its maximum at half filling and the range of U /t where superconductivity appears is greatly extended. These results are in broad agreement with experiment. Also, increasing frustration (larger t'/t ) significantly reduces magnetic ordering, as expected. This suggests that for compounds with intermediate to high frustration, very light doping should reveal the influence of the first-order transition and associated crossovers. These crossovers could possibly be even visible in the superconducting phase through subtle signatures. We also predict that destroying the superconducting phase by a magnetic field should reveal the first-order transition between metal and pseudogap. Finally, we predict that electron doping should also lead to an increased range of U /t for superconductivity but with a reduced maximum Tc. This work also clearly shows that the superconducting dome in organic superconductors is tied to the Mott transition and its continuation as a transition separating pseudogap phase from correlated metal in doped compounds, as in the cuprates. Contrary to heavy fermions for example, the maximum Tc is definitely not attached to an antiferromagnetic quantum critical point. That can also be verified experimentally.

Effective field theory, electric dipole moments and electroweak baryogenesis

NASA Astrophysics Data System (ADS)

Balazs, Csaba; White, Graham; Yue, Jason

2017-03-01

Negative searches for permanent electric dipole moments (EDMs) heavily constrain models of baryogenesis utilising various higher dimensional charge and parity violating (CPV) operators. Using effective field theory, we create a model independent connection between these EDM constraints and the baryon asymmetry of the universe (BAU) produced during a strongly first order electroweak phase transition. The thermal aspects of the high scale physics driving the phase transition are paramaterised by the usual kink solution for the bubble wall profile. We find that operators involving derivatives of the Higgs field yield CPV contributions to the BAU containing derivatives of the Higgs vacuum expectation value (vev), while non-derivative operators lack such contributions. Consequently, derivative operators cannot be eliminated in terms of non-derivative operators (via the equations of motion) if one is agnostic to the new physics that leads to the phase transition. Thus, we re-classify the independent dimension six operators, restricting ourselves to third generation quarks, gauge bosons and the Higgs. Finally, we calculate the BAU (as a function of the bubble wall width and the cutoff) for a derivative and a non-derivative operator, and relate it to the EDM constraints.

Theoretical study of electronic structure, phase transition, elastic, and thermodynamic properties of ReN

NASA Astrophysics Data System (ADS)

Lei, Hui-Ru; Zhu, Jun; Hao, Yan-Jun; Zhang, Lin; Yu, Bai-Ru; Chen, Long-Qing; Zou, Yang-Chun

2015-02-01

Phase transition of rhenium mononitride (ReN) in NaCl, CsCl, zincblende (ZB), NbO, wurtzite (WZ), NiAs, WC, PtS, Pmn21 and Cmc21 structures have been studied by using the projector augmented wave method. It is found that NbO-type structure is the most stable. This conclusion is consistent with the report of Wang et al., while contrary to the results of Zhao et al., Chen et al., Asvini et al., and Hlynsson et al. The phase transition from NbO-type to NiAs-type occurs at ca. 52.8 GPa, which is also in good agreement with that of Wang et al. The elastic constants of NbO- and NiAs-type ReN under high pressure are calculated and found to be increased with the increasing pressures. At the same time, the ductile-brittle behavior is evaluated by Pugh's criteria. Also, we have predicted the density of states and Vickers hardness for NbO and NiAs types of ReN. Finally, the Debye temperature ΘD, thermal expansion α and heat capacity CV for NbO-type structure at high pressures are also derived through the quasi-harmonic Debye model.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Zuocheng; Feng, Xiao; Wang, Jing

The interplay between magnetism and topology, as exemplified in the magnetic skyrmion systems, has emerged as a rich playground for finding novel quantum phenomena and applications in future information technology. Magnetic topological insulators (TI) have attracted much recent attention, especially after the experimental realization of quantum anomalous Hall effect. Future applications of magnetic TI hinge on the accurate manipulation of magnetism and topology by external perturbations, preferably with a gate electric field. In this work, we investigate the magneto transport properties of Cr doped Bi 2(Se xTe 1-x) 3 TI across the topological quantum critical point (QCP). We find thatmore » the external gate voltage has negligible effect on the magnetic order for samples far away from the topological QCP. However, for the sample near the QCP, we observe a ferromagnetic (FM) to paramagnetic (PM) phase transition driven by the gate electric field. Theoretical calculations show that a perpendicular electric field causes a shift of electronic energy levels due to the Stark effect, which induces a topological quantum phase transition and consequently a magnetic phase transition. Finally, the in situ electrical control of the topological and magnetic properties of TI shed important new lights on future topological electronic or spintronic device applications.« less

Grain boundaries structures and wetting in doped silicon, nickel and copper

NASA Astrophysics Data System (ADS)

Meshinchi Asl, Kaveh

This thesis reports a series of fundamental investigations of grain boundary wetting, adsorption and structural (phases) transitions in doped Ni, Cu and Si with technological relevance to liquid metal embrittlement, liquid metal corrosion and device applications. First, intrinsically ductile metals are prone to catastrophic failure when exposed to certain liquid metals, but the atomic level mechanism for this effect is not fully understood. A nickel sample infused with bismuth atoms was characterized and a bilayer interfacial phase that is the underlying cause of embrittlement was observed. In a second related study, we showed that addition of minor impurities can significantly enhance the intergranular penetration of bismuth based liquids in polycrystalline nickel and copper, thereby increasing the liquid metal corrosion rates. Furthermore, we extended a concept that was initially proposed in the Rice-Wang model for grain boundary embrittlement to explain our observations of the impurity-enhanced intergranular penetration of liquid metals. Finally, a grain-boundary transition from a bilayer to an intrinsic is observed in the Si-Au system. This observation directly shows that a grain boundary can exhibit a first-order "phase" transition, which often implies abrupt changes in properties.

Novel Phases from the Interplay of Topology and Strong Interactions

NASA Astrophysics Data System (ADS)

Hickey, Ciaran

In recent years, topology has become increasingly prevalent in condensed matter physics. It has allowed us to understand, and even predict, a variety of striking and remarkable physical phenomena. The study of strongly interacting systems has similarly lavished us with a diverse range of exotic phases and unconventional transitions, many of which are still poorly understood. In this thesis we will explore the interplay between topology and interactions in an effort to uncover new and novel phases. First we study how interactions impact the quantum phase transition between a topologically non-trivial phase and a trivial phase. The combination of interactions and the low-energy degrees of freedom associated with the transition leads to the emergence of a dome of lattice-symmetry breaking nematic order. Such behaviour is reminiscent of a number of strongly correlated electronic systems. We move on to study the strongly interacting limit of one of the earliest and best-known non-interacting topological phases, Haldane's model of a Chern insulator. Recently realized with ultracold atoms in a shaken optical lattice, the model has a non-trivial topological invariant associated with its band structure. In the strongly interacting limit the spin degrees of freedom are all that survive and we find a rich phase diagram of magnetically ordered phases, using a combination of both classical and quantum techniques. Supplementing the model with an additional term we can 'quantum-melt' one of these ordered states to produce a disordered, liquid state that we positively identify as a chiral spin liquid, a highly entangled state of matter with fractionalised excitations. We generalise this mechanism to other two dimensional lattices, uncovering a possible unifying framework with which to understand the emergence of chiral spin liquids in lattice spin models. Finally, motivated by groundbreaking experiments in the ultracold atoms community, we investigate a model of two-component bosons with an artificial spin-orbit coupling. The interplay between the lattice, interactions and spin-orbit coupling produces a variety of unusual superfluid phases. Using a novel Monte Carlo technique we reveal the finite temperature phase diagram that appears close to the Mott transition.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baldini, Maria; Muramatsu, Takaki; Sherafati, Mohammad

Phase separation is a crucial ingredient of the physics of manganites; however, the role of mixed phases in the development of the colossal magnetoresistance (CMR) phenomenon still needs to be clarified. In this paper, we report the realization of CMR in a single-valent LaMnO 3 manganite. We found that the insulator-to-metal transition at 32 GPa is well described using the percolation theory. Pressure induces phase separation, and the CMR takes place at the percolation threshold. A large memory effect is observed together with the CMR, suggesting the presence of magnetic clusters. The phase separation scenario is well reproduced, solving amore » model Hamiltonian. Finally, our results demonstrate in a clean way that phase separation is at the origin of CMR in LaMnO 3.« less

Final-state effect on x-ray photoelectron spectrum of nominally d1 and n -doped d0 transition-metal oxides

NASA Astrophysics Data System (ADS)

Lin, Chungwei; Posadas, Agham; Hadamek, Tobias; Demkov, Alexander A.

2015-07-01

We investigate the x-ray photoelectron spectroscopy (XPS) of nominally d1 and n -doped d0 transition-metal oxides including NbO2,SrVO3, and LaTiO3 (nominally d1), as well as n -doped SrTiO3 (nominally d0). In the case of single phase d1 oxides, we find that the XPS spectra (specifically photoelectrons from Nb 3 d , V 2 p , Ti 2 p core levels) all display at least two, and sometimes three distinct components, which can be consistently identified as d0,d1, and d2 oxidation states (with decreasing order in binding energy). Electron doping increases the d2 component but decreases the d0 component, whereas hole doping reverses this trend; a single d1 peak is never observed, and the d0 peak is always present even in phase-pure samples. In the case of n -doped SrTiO3, the d1 component appears as a weak shoulder with respect to the main d0 peak. We argue that these multiple peaks should be understood as being due to the final-state effect and are intrinsic to the materials. Their presence does not necessarily imply the existence of spatially localized ions of different oxidation states nor of separate phases. A simple model is provided to illustrate this interpretation, and several experiments are discussed accordingly. The key parameter to determine the relative importance between the initial-state and final-state effects is also pointed out.

The cell-cycle interactome: a source of growth regulators?

PubMed

Blomme, Jonas; Inzé, Dirk; Gonzalez, Nathalie

2014-06-01

When plants develop, cell proliferation and cell expansion are tightly controlled in order to generate organs with a determinate final size such as leaves. Several studies have demonstrated the importance of the cell proliferation phase for leaf growth, illustrating that cell-cycle regulation is crucial for correct leaf development. A large and complex set of interacting proteins that constitute the cell-cycle interactome controls the transition from one cell-cycle phase to another. Here, we review the current knowledge on cell-cycle regulators from this interactome affecting final leaf size when their expression is altered, mainly in Arabidopsis. In addition to the description of mutants of CYCLIN-DEPENDENT KINASES (CDKs), CYCLINS (CYCs), and their transcriptional and post-translational regulators, a phenotypic analysis of gain- and loss-of-function mutants for 27 genes encoding proteins that interact with cell-cycle proteins is presented. This compilation of information shows that when cell-cycle-related genes are mis-expressed, leaf growth is often altered and that, seemingly, three main trends appear to be crucial in the regulation of final organ size by cell-cycle-related genes: (i) cellular compensation; (ii) gene dosage; and (iii) correct transition through the G2/M phase by ANAPHASE PROMOTING COMPLEX/CYCLOSOME (APC/C) activation. In conclusion, this meta-analysis shows that the cell-cycle interactome is enriched in leaf growth regulators, and illustrates the potential to identify new leaf growth regulators among putative new cell-cycle regulators. © The Author 2013. Published by Oxford University Press on behalf of the Society for Experimental Biology. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Phase transitions in colloidal fluids: Kinetically or thermodynamically controlled?

NASA Astrophysics Data System (ADS)

Duran-Olivencia, Miguel A.; Yatsyshin, Peter; Lutsko, James F.; Kalliadasis, Serafim

2017-11-01

In recent years, a flurry of experimental observations suggests that most phase transitions occur in a multistage manner and via intermediate phases. These precursors to the final phase are commonly understood as the local minima of the free energy of the system. Inherently, the classical paradigm of nucleation has no capacity to describe neither the origin nor the role played by these precursors in the nucleation pathway. Here we present a systematic theoretical framework capable of describing the precursor phases in a self-consistent way. We demonstrate that nucleation precursors can appear even in situations involving a single free-energy barrier. This contradicts previous phenomenological approaches, which always characterise intermediate phases as the minima of a complex free-energy landscape. We show that a kinetically-induced mechanism temporarily stabilises an intermediate phase, which thus is not the result of a local minimum of the free energy but a consequence of the entropic cost of cluster formation. Moreover, the appearance of precursors does not seem to influence the overall nucleation time, which is governed by the free-energy barrier. The mechanism uncovered in this study can be used to explain recently reported experimental findings in crystallisation. European Research Council - Advanced Grant No. 247031; Engineering and Physical Sciences Research Council - Grant Nos. EP/L020564 and EP/L025159.

The Thermal Pressure in Low Metallicity Galaxies

NASA Astrophysics Data System (ADS)

Wolfire, Mark; McKee, Christopher; Ostriker, Eve C.; Bolatto, Alberto; Jenkins, Edward

2015-08-01

The thermal pressure in the diffuse interstellar medium (ISM) is a relatively small fraction of the total ISM pressure yet it is extremely important for the evolution of the ISM phases. A multi-phase medium can exist between a range of thermal pressures Pmin < Pth < Pmax. The phase separation is driven by thermal instability and produces a cold (T ˜ 100 K) neutral atomic gas and a warm (T ˜ 8000 K) neutral atomic gas separated by thermally unstable gas. At thermal pressures greater than Pmax only the cold phase can exist and at thermal pressures less than Pmin only the warm phase can exist. The ISM is also highly turbulent and turbulence can both initiate the thermal phase transition and be produced in a rapid phase transition. Hydrodynamic modeling also points to a strong two-phase distribution (.e.g., Kim et al. 2011; Audit & Hennebelle 2010) with a median thermal pressure in the cold gas very near the expected two-phase pressure. Global, theoretical models including star-formation feedback have been developed for the molecular fraction in galactic disks using, at their core, the paradigm that thermal pressure determines the phase transitions to warm, cold, or multiphase medium (e.g., Krumholz et al. 2009; Ostriker et al. 2010).Here we present a phase diagram for a low metallicity galaxy using the Small Magellanic Clouds as an example. We find that although the heating rates and metallicities can differ by factors of 5 to 10 from the Milky Way, the resulting two-phase pressure and physical conditions of the phases are not very different from Galactic. We also confirm that a widely used fitting function for Pmin presented in Wolfire et al. 2003 provides an accurate prediction for the new results. We demonstrate how the variation in input parameters determine the final pressures and physical conditions.

Elastic-plastic and phase transition of zinc oxide single crystal under shock compression

NASA Astrophysics Data System (ADS)

Liu, Xun; Mashimo, Tsutomu; Li, Wei; Zhou, Xianming; Sekine, Toshimori

2015-03-01

The Hugoniot data for zinc oxide (ZnO) single crystals were measured up to 80 GPa along both the ⟨ 11 2 ¯ 0 ⟩ (a-axis) and ⟨0001⟩ (c-axis) directions using a velocity interferometer system for any reflector and inclined-mirror method combined with a powder gun and two-stage light gas gun. The Hugoniot-elastic limits of ZnO were determined to be 10.5 and 11.5 GPa along the a- and c-axes, respectively. The wurtzite (B4) to rocksalt (B1) phase transition pressures along the a- and c-axes are 12.3 and 14.4 GPa, respectively. Shock velocity (Us) versus particle velocity (Up) relation of the final phase is given by the following relationship: Us (km/s) = 2.76 + 1.51Up (km/s). Based on the Debye-Grüneisen model and Birch-Murnaghan equation of state (EOS), we discuss the EOS of the B1 phase ZnO. The bulk modulus (K0) and its pressure derivative (K0') are estimated to be K0 = 174 GPa and K0' = 3.9, respectively.

Evidence of Nematicity in K 0.8Fe 1.7Se 2

DOE PAGES

Duan, Chunruo; Yang, Junjie; Ye, Feng; ...

2015-12-11

We proposed that the superconducting state of K 0.8Fe 1.7Se 2 is phase separated from a non-superconducting magnetic state. These results from a recent neutron diffraction study on a single crystal of K 0.8Fe 1.7Se 2 provide evidence for a continuous transition between the I 4/m m m high temperature phase in which the Fe vacancies are randomly distributed and the I4/m vacancy ordered phase in the temperature range between T (C) and T (S). Upon cooling, the I 4/m phase becomes more populated, increasing the √5 X√5 X 1 superlattice structure, resulting in an enhancement of the (101) superlatticemore » peak. Moreover, the same temperature dependence is observed for the magnetic peak as well. Moreover, due to the Fe site splitting with the transition, its z-coordinate fluctuates, and so must the d xz and d y z orbitals. Finally, the orbital fluctuations couple to the magnetic ordering as seen here and may lead to a realization of nematic order in this system.« less

Bounded noise induced first-order phase transitions in a baseline non-spatial model of gene transcription

NASA Astrophysics Data System (ADS)

d'Onofrio, Alberto; Caravagna, Giulio; de Franciscis, Sebastiano

2018-02-01

In this work we consider, from a statistical mechanics point of view, the effects of bounded stochastic perturbations of the protein decay rate for a bistable biomolecular network module. Namely, we consider the perturbations of the protein decay/binding rate constant (DBRC) in a circuit modeling the positive feedback of a transcription factor (TF) on its own synthesis. The DBRC models both the spontaneous degradation of the TF and its linking to other unknown biomolecular factors or drugs. We show that bounded perturbations of the DBRC preserve the positivity of the parameter value (and also its limited variation), and induce effects of interest. First, the noise amplitude induces a first-order phase transition. This is of interest since the system in study has neither spatial components nor it is composed by multiple interacting networks. In particular, we observe that the system passes from two to a unique stochastic attractor, and vice-versa. This behavior is different from noise-induced transitions (also termed phenomenological bifurcations), where a unique stochastic attractor changes its shape depending on the values of a parameter. Moreover, we observe irreversible jumps as a consequence of the above-mentioned phase transition. We show that the illustrated mechanism holds for general models with the same deterministic hysteresis bifurcation structure. Finally, we illustrate the possible implications of our findings to the intracellular pharmacodynamics of drugs delivered in continuous infusion.

Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces

DOE PAGES

Jeon, Seokmin; Doak, Peter W.; Sumpter, Bobby G.; ...

2016-07-26

Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions and superconducting ground states. In contrast, few of these phenomena have so far been observed in low-dimensional molecular structures, including thin films, nanoparticles and molecular blends, not in the least because most of such structures have so far been composed of nearly closed-shell molecules. It is therefore desirable to develop low-dimensional molecular structures of ionic molecules toward fundamental studies and potential applications. Here we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctivemore » property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of 1:1 ratio in the bulk. We propose the existence of the surface phase-diagram that controls the structures of TTF-TCNQ on the surfaces, and demonstrate phase-transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram and the corresponding phase-transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases.« less

A tale of two timescales: Mixing, mass generation, and phase transitions in the early universe

NASA Astrophysics Data System (ADS)

Dienes, Keith R.; Kost, Jeff; Thomas, Brooks

2016-02-01

Light scalar fields such as axions and string moduli can play an important role in early-universe cosmology. However, many factors can significantly impact their late-time cosmological abundances. For example, in cases where the potentials for these fields are generated dynamically—such as during cosmological mass-generating phase transitions—the duration of the time interval required for these potentials to fully develop can have significant repercussions. Likewise, in scenarios with multiple scalars, mixing amongst the fields can also give rise to an effective timescale that modifies the resulting late-time abundances. Previous studies have focused on the effects of either the first or the second timescale in isolation. In this paper, by contrast, we examine the new features that arise from the interplay between these two timescales when both mixing and time-dependent phase transitions are introduced together. First, we find that the effects of these timescales can conspire to alter not only the total late-time abundance of the system—often by many orders of magnitude—but also its distribution across the different fields. Second, we find that these effects can produce large parametric resonances which render the energy densities of the fields highly sensitive to the degree of mixing as well as the duration of the time interval over which the phase transition unfolds. Finally, we find that these effects can even give rise to a "reoverdamping" phenomenon which causes the total energy density of the system to behave in novel ways that differ from those exhibited by pure dark matter or vacuum energy. All of these features therefore give rise to new possibilities for early-universe phenomenology and cosmological evolution. They also highlight the importance of taking into account the time dependence associated with phase transitions in cosmological settings.

Octahedral tilting, monoclinic phase and the phase diagram of PZT

NASA Astrophysics Data System (ADS)

Cordero, F.; Trequattrini, F.; Craciun, F.; Galassi, C.

2011-10-01

Anelastic and dielectric spectroscopy measurements on PbZr1-xTixO3 (PZT) close to the morphotropic (MPB) and antiferroelectric boundaries provide new insight into some controversial aspects of its phase diagram. No evidence is found of a border separating monoclinic (M) from rhombohedral (R) phases, in agreement with recent structural studies supporting a coexistence of the two phases over a broad composition range x < 0.5, with the fraction of M increasing toward the MPB. It is also discussed why the observed maximum of elastic compliance appears to be due to a rotational instability of the polarization linearly coupled to shear strain. Therefore it cannot be explained by extrinsic softening from finely twinned R phase alone, but indicates the presence also of M phase, not necessarily homogeneous. A new diffuse transition is found within the ferroelectric phase near x ˜ 0.1, at a temperature TIT higher than the well established boundary TT to the phase with tilted octahedra. It is proposed that around TIT the octahedra start rotating in a disordered manner and finally become ordered below TT. In this interpretation, the onset temperature for octahedral tilting monotonically increases up to the antiferroelectric transition of PbZrO3, and the depression of TT(x) below x = 0.18 would be a consequence of the partial relief of the mismatch between the average cation radii with the initial stage of tilting below TIT.

Tug fleet and ground operations schedules and controls. Volume 1: Executive summary

NASA Technical Reports Server (NTRS)

1975-01-01

This study presents Tug Fleet and Ground Operations Schedules and Controls plan. This plan was developed and optimized out of a combination of individual Tug program phased subplans, special emphasis studies, contingency analyses and sensitivity analyses. The subplans cover the Tug program phases: (1) Tug operational, (2) Interim Upper Stage (IUS)/Tug fleet utilization, (3) and IUS/Tug payload integration, (4) Tug site activation, (5) IUS/Tug transition, (6) Tug acquisition. Resource requirements (facility, GSE, TSE, software, manpower, logistics) are provided in each subplan, as are appropriate Tug processing flows, active and total IUS and Tug fleet requirements, fleet management and Tug payload integration concepts, facility selection recommendations, site activation and IUS to Tug transition requirements. The impact of operational concepts on Tug acquisition is assessed and the impact of operating Tugs out of KSC and WTR is analyzed and presented showing WTR as a delta. Finally, cost estimates for fleet management and ground operations of the DDT&E and operational phases of the Tug program are given.

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

PubMed

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

2015-10-19

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

Avalanche of entanglement and correlations at quantum phase transitions.

PubMed

Krutitsky, Konstantin V; Osterloh, Andreas; Schützhold, Ralf

2017-06-16

We study the ground-state entanglement in the quantum Ising model with nearest neighbor ferromagnetic coupling J and find a sequential increase of entanglement depth d with growing J. This entanglement avalanche starts with two-point entanglement, as measured by the concurrence, and continues via the three-tangle and four-tangle, until finally, deep in the ferromagnetic phase for J = ∞, arriving at a pure L-partite (GHZ type) entanglement of all L spins. Comparison with the two, three, and four-point correlations reveals a similar sequence and shows strong ties to the above entanglement measures for small J. However, we also find a partial inversion of the hierarchy, where the four-point correlation exceeds the three- and two-point correlations, well before the critical point is reached. Qualitatively similar behavior is also found for the Bose-Hubbard model, suggesting that this is a general feature of a quantum phase transition. This should be taken into account in the approximations starting from a mean-field limit.

The rise of repeal: policy entrepreneurship and Don't Ask, Don't Tell.

PubMed

Neff, Christopher L; Edgell, Luke R

2013-01-01

We report on policy entrepreneurship by Servicemembers Legal Defense Network (SLDN) and how its legislative strategies used mini-windows of opportunity to shift Capitol Hill perspectives of Don't Ask, Don't Tell (DADT) from political plutonium to an emerging issue requiring a second look. Four phases in the legislative history of DADT are identified: radioactive, contested, emerging, and viable. In all, this article argues that SLDN's entrepreneurship focused on contesting congressional sensibilities to wait or defer on repeal, maintained that every discharge was damaging and transitioned toward a post-repeal mind set. Finally, we illustrate the importance of these transitions by comparing SLDN's 2004 estimated vote count for the introduction of the Military Readiness Enhancement Act with the final 2010 voting results on the Don't Ask, Don't Tell Repeal Act.

Pasta phases in core-collapse supernova matter

NASA Astrophysics Data System (ADS)

Pais, Helena; Chiacchiera, Silvia; Providência, Constança

2016-04-01

The pasta phase in core-collapse supernova matter (finite temperatures and fixed proton fractions) is studied within relativistic mean field models. Three different calculations are used for comparison, the Thomas-Fermi (TF), the Coexisting Phases (CP) and the Compressible Liquid Drop (CLD) approximations. The effects of including light clusters in nuclear matter and the densities at which the transitions between pasta configurations and to uniform matter occur are also investigated. The free energy and pressure, in the space of particle number densities and temperatures expected to cover the pasta region, are calculated. Finally, a comparison with a finite temperature Skyrme-Hartree-Fock calculation is drawn.

Unoccupied electronic structure of Ni 2MnGa ferromagnetic shape memory alloy

DOE PAGES

Maniraj, M.; D׳Souza, S. W.; Rai, Abhishek; ...

2015-08-20

Momentum resolved inverse photoemission spectroscopy measurements show that the dispersion of the unoccupied bands of Ni 2MnGa is significant in the austenite phase. Furthermore, in the martensite phase, it is markedly reduced, which is possibly related to the structural transition to an incommensurate modulated state in the martensite phase. Finally, based on the first principle calculations of the electronic structure of Ni–Mn–Ga, we show that the modification of the spectral shape with surface composition is related to change in the hybridization between the Mn 3d and Ni 3d-like states that dominate the unoccupied conduction band.

Color breaking baryogenesis

NASA Astrophysics Data System (ADS)

Ramsey-Musolf, Michael J.; White, Graham; Winslow, Peter

2018-06-01

We propose a scenario that generates the observed baryon asymmetry of the Universe through a multistep phase transition in which SU(3) color symmetry is first broken and then restored. A spontaneous violation of B -L conservation leads to a contribution to the baryon asymmetry that becomes negligible in the final phase. The baryon asymmetry is therefore produced exclusively through the electroweak mechanism in the intermediate phase. We illustrate this scenario with a simple model that reproduces the observed baryon asymmetry. We discuss how future electric dipole moment and collider searches may probe this scenario, though future electric dipole moment searches would require an improved sensitivity of several orders of magnitude.

Magnetostructural phase transformations in Tb 1-x Mn 2

DOE PAGES

Zou, Junding; Paudyal, Durga; Liu, Jing; ...

2015-01-16

Magnetism and phase transformations in non-stoichiometric Tb 1-xMn 2 (x = 0.056, 0.039) have been studied as functions of temperature and magnetic field using magnetization, heat capacity, and X-ray powder diffraction measurements. Lowering the temperature, the compounds sequentially order ferrimagnetically and antiferromagnetically, and finally, exhibit spin reorientation transitions. Moreover, these structural distortions from room temperature cubic to low temperature rhombohedral structures occur at T N, and are accompanied by large volume changes reaching ~-1.27% and -1.42%, respectively. First principles electronic structure calculations confirm the phase transformation from the ferrimagnetic cubic structure to the antiferromagnetic rhombohedral structure in TbMn 2.

Axelrod Model with Extended Conservativeness

NASA Astrophysics Data System (ADS)

Dybiec, Bartłomiej

2012-11-01

Similarity of opinions and memory about recent interactions are two main factors determining likelihood of social contacts. Here, we explore the Axelrod model with an extended conservativeness which incorporates not only similarity between individuals but also a preference to the last source of accepted information. The additional preference given to the last source of information increases the initial decay of the number of ideas in the system, changes the character of the phase transition between homogeneous and heterogeneous final states and could increase the number of stable regions (clusters) in the final state.

Crystal growth of cholesterol in hydrogels and its characterization

NASA Astrophysics Data System (ADS)

Manuel Bravo-Arredondo, J.; Moreno, A.; Mendoza, M. E.

2014-09-01

In this work, we report the crystallization of cholesterol in ethanol solution and in three different hydrogel media: tetramethyl orthosilane, sodium metasilicate, and poly(vinyl)alcohol, whose structures are similar to the gel-like polymer structure of mucin, which is found in the mucus present in bile stone formation. The monohydrated triclinic phase was identified in all the samples by means of X-ray powder diffraction. The characteristic polymorphic crystalline transition of the anhydrous cholesterol was detected by differential thermal analysis and modulated differential scanning calorimetry only in crystals grown in ethanol, sodium silicate, and tetramethyl orthosilane. Finally, hysteresis of the phase transition temperature was measured by modulated differential scanning calorimetry in crystals grown in ethanol. The biological implications of the crystallization of cholesterol for bile stones formation are discussed in the last part of this contribution.

Boost-phase discrimination research

NASA Technical Reports Server (NTRS)

Langhoff, Stephen R.; Feiereisen, William J.

1993-01-01

The final report describes the combined work of the Computational Chemistry and Aerothermodynamics branches within the Thermosciences Division at NASA Ames Research Center directed at understanding the signatures of shock-heated air. Considerable progress was made in determining accurate transition probabilities for the important band systems of NO that account for much of the emission in the ultraviolet region. Research carried out under this project showed that in order to reproduce the observed radiation from the bow shock region of missiles in their boost phase it is necessary to include the Burnett terms in the constituent equation, account for the non-Boltzmann energy distribution, correctly model the NO formation and rotational excitation process, and use accurate transition probabilities for the NO band systems. This work resulted in significant improvements in the computer code NEQAIR that models both the radiation and fluid dynamics in the shock region.

Zero-field quantum critical point in Ce0.91Yb0.09CoIn5

NASA Astrophysics Data System (ADS)

Singh, Y. P.; Adhikari, R. B.; Haney, D. J.; White, B. D.; Maple, M. B.; Dzero, M.; Almasan, C. C.

2018-05-01

We present results of specific heat, electrical resistance, and magnetoresistivity measurements on single crystals of the heavy-fermion superconducting alloy Ce0.91Yb0.09CoIn5 . Non-Fermi-liquid to Fermi-liquid crossovers are clearly observed in the temperature dependence of the Sommerfeld coefficient γ and resistivity data. Furthermore, we show that the Yb-doped sample with x =0.09 exhibits universality due to an underlying quantum phase transition without an applied magnetic field by utilizing the scaling analysis of γ . Fitting of the heat capacity and resistivity data based on existing theoretical models indicates that the zero-field quantum critical point is of antiferromagnetic origin. Finally, we found that at zero magnetic field the system undergoes a third-order phase transition at the temperature Tc 3≈7 K.

Competition of superconductivity with the structural transition in M o 3 S b 7

DOE PAGES

Ye, G. Z.; Cheng, J. -G.; Yan, Jiaqiang; ...

2016-12-14

Prior to the superconducting transition at T c ≈ 2.3 K, Mo 3Sb 7 undergoes a symmetry-lowering, cubic-to-tetragonal structural transition at T s = 53 K. In this paper, we have monitored the pressure dependence of these two transitions by measuring the resistivity of Mo 3Sb 7 single crystals under various hydrostatic pressures up to 15 GPa. The application of external pressure enhances T c but suppresses T s until P c ≈ 10 GPa, above which a pressure-induced first order structural transition takes place and is manifested by the phase coexistence in the pressure range 8 ≤ P ≤more » 12 GPa. The cubic phase above 12 GPa is also found to be superconducting with a higher T c ≈ 6 K that decreases slightly with further increasing pressure. The variations with pressure of T c and T s satisfy the Bilbro-McMillan equation, i.e. T c nT s 1-n = constant, thus suggesting the competition of superconductivity with the structural transition that has been proposed to be accompanied with a spin-gap formation at T s. Finally, this scenario is supported by our first-principles calculations which imply the plausible importance of magnetism that competes with the superconductivity in Mo 3Sb 7.« less

Distribution trends and influence of 4d transition metal elements (Ru, Rh and Pd) doping on mechanical properties and martensitic transformation temperature of B2-ZrCu phase

NASA Astrophysics Data System (ADS)

Guo, Fuda; Zhan, Yongzhong

2017-12-01

The prediction for distribution trends and effect of three 4d transition metal elements (Ru, Rh and Pd) on mechanical properties and martensitic transformation temperature of B2-ZrCu phase were investigated by first-principles calculations. The convex surface of formation energy suggests that the alloying elements prefer to occupy the Cu sites in B2-ZrCu phase and the dopants studied in present are able to strengthen the phase stability. The calculated results of substitutional formation energy suggest that the distribution trend of dopants in B2-ZrCu phase is Ru > Rh > Pd below the dopant concentration 9 at. %, and the distribution trend is Rh > Pd > Ru from 9 at. % to 12.5 at. %. The elastic constants and mechanical properties including bulk modulus and shear modulus were calculated and discussed. The brittleness/ductility characteristic was investigated using the B/G ratio, Poisson's ratio v and Cauchy pressure Cp. The martensitic transformation temperature (Ms) and melting point (Tm) were predicted by using two cubic elastic moduli (C‧ and C44). The prediction results suggest that only the Ms of Zr8Cu7Pd is higher than the parent. The martensitic transformation temperatures of other compounds decrease with the addition of 4d transition metal dopants. Finally, the electronic structures and electron density different were discussed to reveal the bonding characteristics.

Demixing in simple dipolar mixtures: Integral equation versus density functional results

NASA Astrophysics Data System (ADS)

Range, Gabriel M.; Klapp, Sabine H. L.

2004-09-01

Using reference hypernetted chain (RHNC) integral equations and density functional theory in the modified mean-field (MMF) approximation we investigate the phase behavior of binary mixtures of dipolar hard spheres. The two species ( A and B ) differ only in their dipole moments mA and mB , and the central question investigated is under which conditions these asymmetric mixtures can exhibit demixing phase transitions in the fluid phase regime. Results from our two theoretical approaches turn out to strongly differ. Within the RHNC (which we apply to the isotropic high-temperature phase) demixing does indeed occur for dense systems with small interaction parameters Γ=mB2/mA2 . This result generalizes previously reported observations on demixing in mixtures of dipolar and neutral hard spheres (Γ=0) to the case of true dipolar hard sphere mixtures. The RHNC approach also indicates that these demixed fluid phases are isotropic at temperatures accessible by the theory, whereas isotropic-to-ferroelectric transitions occur only at larger Γ . The MMF theory, on the other hand, yields a different picture in which demixing occurs in combination with spontaneous ferroelectricity at all Γ considered. This discrepancy underlines the relevance of correlational effects for the existence of demixing transitions in dipolar systems without dispersive interactions. Indeed, supplementing the dipolar interactions by small, asymmetric amounts of van der Waals-like interactions (and thereby supporting the systems tendency to demix) one finally reaches good agreement between MMF and RHNC results.

Trajectory Design for the Transiting Exoplanet Survey Satellite

NASA Technical Reports Server (NTRS)

Dichmann, Donald J.; Parker, Joel J. K.; Williams, Trevor W.; Mendelsohn, Chad R.

2014-01-01

The Transiting Exoplanet Survey Satellite (TESS) is a National Aeronautics and Space Administration (NASA) mission, scheduled to be launched in 2017. TESS will travel in a highly eccentric orbit around Earth, with initial perigee radius near 17 Earth radii (Re) and apogee radius near 59 Re. The orbit period is near 2:1 resonance with the Moon, with apogee nearly 90 degrees out-of-phase with the Moon, in a configuration that has been shown to be operationally stable. TESS will execute phasing loops followed by a lunar flyby, with a final maneuver to achieve 2:1 resonance with the Moon. The goals of a resonant orbit with long-term stability, short eclipses and limited oscillations of perigee present significant challenges to the trajectory design. To rapidly assess launch opportunities, we adapted the Schematics Window Methodology (SWM76) launch window analysis tool to assess the TESS mission constraints. To understand the long-term dynamics of such a resonant orbit in the Earth-Moon system we employed Dynamical Systems Theory in the Circular Restricted 3-Body Problem (CR3BP). For precise trajectory analysis we use a high-fidelity model and multiple shooting in the General Mission Analysis Tool (GMAT) to optimize the maneuver delta-V and meet mission constraints. Finally we describe how the techniques we have developed can be applied to missions with similar requirements. Keywords: resonant orbit, stability, lunar flyby, phasing loops, trajectory optimization

Phase Transition to Exact Susy

NASA Astrophysics Data System (ADS)

Clavelli, L.

2007-04-01

The anthropic principle is based on the observation that, within narrow bounds, the laws of physics are such as to have allowed the evolution of life. The string theoretic approach to understanding this observation is based on the expectation that the effective potential has an enormous number of local minima with different particle masses and perhaps totally different fundamental couplings and space time topology. The vast majority of these alternative universes are totally inhospitable to life, having, for example, vacuum energies near the natural (Planck) scale. The statistics, however, are assumed to be such that a few of these local minima (and not more) have a low enough vacuum energy and suitable other properties to support life. In the inflationary era, the "multiverse" made successive transitions between the available minima until arriving at our current state of low vacuum energy. String theory, however, also suggests that the absolute minimum of the effective potential is exactly supersymmetric. Questions then arise as to why the inflationary era did not end by a transition to one of these, when will the universe make the phase transition to the exactly supersymmetric ground state, and what will be the properties of this final state.

Pressure-temperature phase diagrams of CaK(Fe1 -xNix)4As4 superconductors

NASA Astrophysics Data System (ADS)

Xiang, Li; Meier, William R.; Xu, Mingyu; Kaluarachchi, Udhara S.; Bud'ko, Sergey L.; Canfield, Paul C.

2018-05-01

The pressure dependence of the magnetic and superconducting transitions and that of the superconducting upper critical field are reported for CaK (Fe1-xNix) 4As4 , the first example of an Fe-based superconductor with spin-vortex-crystal-type magnetic ordering. Resistance measurements were performed on single crystals with two substitution levels (x =0.033 ,0.050 ) under hydrostatic pressures up to 5.12 GPa and in magnetic fields up to 9 T. Our results show that, for both compositions, magnetic transition temperatures TN are suppressed upon applying pressure; the superconducting transition temperatures Tc are suppressed by pressure as well, except for x =0.050 in the pressure region where TN and Tc cross. Furthermore, the pressure associated with the crossing of the TN and Tc lines also coincides with a minimum in the normalized slope of the superconducting upper critical field, consistent with a likely Fermi-surface reconstruction associated with the loss of magnetic ordering. Finally, at p ˜4 GPa, both Ni-substituted CaK (Fe1-xNix) 4As4 samples likely go through a half-collapsed-tetragonal phase transition, similar to the parent compound CaKFe4As4 .

Phase transformations during the growth of paracetamol crystals from the vapor phase

NASA Astrophysics Data System (ADS)

Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.; Bordei, N. S.

2014-07-01

Phase transformations during the growth of paracetamol crystals from the vapor phase are studied by differential scanning calorimetry. It is found that the vapor-crystal phase transition is actually a superposition of two phase transitions: a first-order phase transition with variable density and a second-order phase transition with variable ordering. The latter, being a diffuse phase transition, results in the formation of a new, "pretransition," phase irreversibly spent in the course of the transition, which ends in the appearance of orthorhombic crystals. X-ray diffraction data and micrograph are presented.

Weyl Semimetal to Metal Phase Transitions Driven by Quasiperiodic Potentials

NASA Astrophysics Data System (ADS)

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).

Phase diagram of multiferroic KCu3As2O7(OD ) 3

NASA Astrophysics Data System (ADS)

Nilsen, Gøran J.; Simonet, Virginie; Colin, Claire V.; Okuma, Ryutaro; Okamoto, Yoshihiko; Tokunaga, Masashi; Hansen, Thomas C.; Khalyavin, Dmitry D.; Hiroi, Zenji

2017-06-01

The layered compound KCu3As2O7(OD ) 3 , comprising distorted kagome planes of S =1 /2 Cu2 + ions, is a recent addition to the family of type-II multiferroics. Previous zero-field neutron diffraction work has found two helically ordered regimes in KCu3As2O7(OD ) 3 , each showing a distinct coupling between the magnetic and ferroelectric order parameters. Here, we extend this work to magnetic fields up to 20 T using neutron powder diffraction, capacitance, polarization, and high-field magnetization measurements, hence determining the H -T phase diagram. We find metamagnetic transitions in both low-temperature phases around μ0Hc˜3.7 T, which neutron powder diffraction reveals to correspond to rotations of the helix plane away from the easy plane, as well as a small change in the propagation vector. Furthermore, we show that the sign of the ferroelectric polarization is reversible in a magnetic field, although no change is observed (or expected on the basis of the magnetic structure) due to the transition at 3.7 T. We finally justify the temperature dependence of the polarization in both zero-field ordered phases by a symmetry analysis of the free energy expansion, and attempt to account for the metamagnetic transition by adding anisotropic exchange interactions to our existing model for KCu3As2O7(OD ) 3 .

Microcanonical thermodynamics and statistical fragmentation of dissipative systems. The topological structure of the N-body phase space

NASA Astrophysics Data System (ADS)

Gross, D. H. E.

1997-01-01

This review is addressed to colleagues working in different fields of physics who are interested in the concepts of microcanonical thermodynamics, its relation and contrast to ordinary, canonical or grandcanonical thermodynamics, and to get a first taste of the wide area of new applications of thermodynamical concepts like hot nuclei, hot atomic clusters and gravitating systems. Microcanonical thermodynamics describes how the volume of the N-body phase space depends on the globally conserved quantities like energy, angular momentum, mass, charge, etc. Due to these constraints the microcanonical ensemble can behave quite differently from the conventional, canonical or grandcanonical ensemble in many important physical systems. Microcanonical systems become inhomogeneous at first-order phase transitions, or with rising energy, or with external or internal long-range forces like Coulomb, centrifugal or gravitational forces. Thus, fragmentation of the system into a spatially inhomogeneous distribution of various regions of different densities and/or of different phases is a genuine characteristic of the microcanonical ensemble. In these cases which are realized by the majority of realistic systems in nature, the microcanonical approach is the natural statistical description. We investigate this most fundamental form of thermodynamics in four different nontrivial physical cases: (I) Microcanonical phase transitions of first and second order are studied within the Potts model. The total energy per particle is a nonfluctuating order parameter which controls the phase which the system is in. In contrast to the canonical form the microcanonical ensemble allows to tune the system continuously from one phase to the other through the region of coexisting phases by changing the energy smoothly. The configurations of coexisting phases carry important informations about the nature of the phase transition. This is more remarkable as the canonical ensemble is blind against these configurations. It is shown that the three basic quantities which specify a phase transition of first order - Transition temperature, latent heat, and interphase surface entropy - can be well determined for finite systems from the caloric equation of state T( E) in the coexistence region. Their values are already for a lattice of only ~ 30 ∗ 30 spins close to the ones of the corresponding infinite system. The significance of the backbending of the caloric equation of state T( E) is clarified. It is the signal for a phase transition of first order in a finite isolated system. (II) Fragmentation is shown to be a specific and generic phase transition of finite systems. The caloric equation of state T( E) for hot nuclei is calculated. The phase transition towards fragmentation can unambiguously be identified by the anomalies in T( E). As microcanonical thermodynamics is a full N-body theory it determines all many-body correlations as well. Consequently, various statistical multi-fragment correlations are investigated which give insight into the details of the equilibration mechanism. (III) Fragmentation of neutral and multiply charged atomic clusters is the next example of a realistic application of microcanonical thermodynamics. Our simulation method, microcanonical Metropolis Monte Carlo, combines the explicit microscopic treatment of the fragmentational degrees of freedom with the implicit treatment of the internal degrees of freedom of the fragments described by the experimental bulk specific heat. This micro-macro approach allows us to study the fragmentation of also larger fragments. Characteristic details of the fission of multiply charged metal clusters find their explanation by the different bulk properties. (IV) Finally, the fragmentation of strongly rotating nuclei is discussed as an example for a microcanonical ensemble under the action of a two-dimensional repulsive force.

Evaporation-triggered microdroplet nucleation and the four life phases of an evaporating Ouzo drop

NASA Astrophysics Data System (ADS)

Tan, Huanshu; Diddens, Christian; Lv, Pengyu; Kuerten, J. G. M.; Zhang, Xuehua; Lohse, Detlef

2016-11-01

Evaporating liquid droplets are omnipresent in nature and technology, such as in inkjet printing, coating, deposition of materials, medical diagnostics, agriculture, the food industry, cosmetics, or spills of liquids. Here we show that the evaporation of such ternary mixtures can trigger a phase transition and the nucleation of microdroplets of one of the components of the mixture. As a model system, we pick a sessile Ouzo droplet (as known from daily life) and reveal and theoretically explain its four life phases: In phase I, the spherical cap-shaped droplet remains transparent while the more volatile ethanol is evaporating, preferentially at the rim of the drop because of the singularity there. This leads to a local ethanol concentration reduction and correspondingly to oil droplet nucleation there. This is the beginning of phase II, in which oil microdroplets quickly nucleate in the whole drop, leading to its milky color that typifies the so-called "Ouzo effect." Once all ethanol has evaporated, the drop, which now has a characteristic nonspherical cap shape, has become clear again, with a water drop sitting on an oil ring (phase III), finalizing the phase inversion. Finally, in phase IV, all water has evaporated, leaving behind a tiny spherical cap-shaped oil drop.

Weak and strong chaos in Fermi-Pasta-Ulam models and beyond.

PubMed

Pettini, Marco; Casetti, Lapo; Cerruti-Sola, Monica; Franzosi, Roberto; Cohen, E G D

2005-03-01

We briefly review some of the most relevant results that our group obtained in the past, while investigating the dynamics of the Fermi-Pasta-Ulam (FPU) models. The first result is the numerical evidence of the existence of two different kinds of transitions in the dynamics of the FPU models: (i) A stochasticity threshold (ST), characterized by a value of the energy per degree of freedom below which the overwhelming majority of the phase space trajectories are regular (vanishing Lyapunov exponents). It tends to vanish as the number N of degrees of freedom is increased. (ii) A strong stochasticity threshold (SST), characterized by a value of the energy per degree of freedom at which a crossover appears between two different power laws of the energy dependence of the largest Lyapunov exponent, which phenomenologically corresponds to the transition between weak and strong chaotic regimes. It is stable with N. The second result is the development of a Riemannian geometric theory to explain the origin of Hamiltonian chaos. Starting this theory has been motivated by the inadequacy of the approach based on homoclinic intersections to explain the origin of chaos in systems of arbitrarily large N, or arbitrarily far from quasi-integrability, or displaying a transition between weak and strong chaos. Finally, the third result stems from the search for the transition between weak and strong chaos in systems other than FPU. Actually, we found that a very sharp SST appears as the dynamical counterpart of a thermodynamic phase transition, which in turn has led, in the light of the Riemannian theory of chaos, to the development of a topological theory of phase transitions.

Weak and strong chaos in Fermi-Pasta-Ulam models and beyond

NASA Astrophysics Data System (ADS)

Pettini, Marco; Casetti, Lapo; Cerruti-Sola, Monica; Franzosi, Roberto; Cohen, E. G. D.

2005-03-01

We briefly review some of the most relevant results that our group obtained in the past, while investigating the dynamics of the Fermi-Pasta-Ulam (FPU) models. The first result is the numerical evidence of the existence of two different kinds of transitions in the dynamics of the FPU models: (i) A stochasticity threshold (ST), characterized by a value of the energy per degree of freedom below which the overwhelming majority of the phase space trajectories are regular (vanishing Lyapunov exponents). It tends to vanish as the number N of degrees of freedom is increased. (ii) A strong stochasticity threshold (SST), characterized by a value of the energy per degree of freedom at which a crossover appears between two different power laws of the energy dependence of the largest Lyapunov exponent, which phenomenologically corresponds to the transition between weak and strong chaotic regimes. It is stable with N. The second result is the development of a Riemannian geometric theory to explain the origin of Hamiltonian chaos. Starting this theory has been motivated by the inadequacy of the approach based on homoclinic intersections to explain the origin of chaos in systems of arbitrarily large N, or arbitrarily far from quasi-integrability, or displaying a transition between weak and strong chaos. Finally, the third result stems from the search for the transition between weak and strong chaos in systems other than FPU. Actually, we found that a very sharp SST appears as the dynamical counterpart of a thermodynamic phase transition, which in turn has led, in the light of the Riemannian theory of chaos, to the development of a topological theory of phase transitions.

ITS, The End of the World as We Know It: Transitioning AIED into a Service-Oriented Ecosystem

ERIC Educational Resources Information Center

Nye, Benjamin D.

2016-01-01

Advanced learning technologies are reaching a new phase of their evolution where they are finally entering mainstream educational contexts, with persistent user bases. However, as AIED scales, it will need to follow recent trends in service-oriented and ubiquitous computing: breaking AIED platforms into distinct services that can be composed for…

International Space Station: Transitional Platform for Moon and Mars

NASA Technical Reports Server (NTRS)

Greeniesen, Michael C.

2006-01-01

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

Inflation expels runaways

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bachlechner, Thomas C.

We argue that moduli stabilization generically restricts the evolution following transitions between weakly coupled de Sitter vacua and can induce a strong selection bias towards inflationary cosmologies. The energy density of domain walls between vacua typically destabilizes Kähler moduli and triggers a runaway towards large volume. This decompactification phase can collapse the new de Sitter region unless a minimum amount of inflation occurs after the transition. A stable vacuum transition is guaranteed only if the inflationary expansion generates overlapping past light cones for all observable modes originating from the reheating surface, which leads to an approximately flat and isotropic universe.more » High scale inflation is vastly favored. Finally, our results point towards a framework for studying parameter fine-tuning and inflationary initial conditions in flux compactifications.« less

Inflation expels runaways

DOE PAGES

Bachlechner, Thomas C.

2016-12-30

We argue that moduli stabilization generically restricts the evolution following transitions between weakly coupled de Sitter vacua and can induce a strong selection bias towards inflationary cosmologies. The energy density of domain walls between vacua typically destabilizes Kähler moduli and triggers a runaway towards large volume. This decompactification phase can collapse the new de Sitter region unless a minimum amount of inflation occurs after the transition. A stable vacuum transition is guaranteed only if the inflationary expansion generates overlapping past light cones for all observable modes originating from the reheating surface, which leads to an approximately flat and isotropic universe.more » High scale inflation is vastly favored. Finally, our results point towards a framework for studying parameter fine-tuning and inflationary initial conditions in flux compactifications.« less

Competing epidemics on complex networks

NASA Astrophysics Data System (ADS)

Karrer, Brian; Newman, M. E. J.

2011-09-01

Human diseases spread over networks of contacts between individuals and a substantial body of recent research has focused on the dynamics of the spreading process. Here we examine a model of two competing diseases spreading over the same network at the same time, where infection with either disease gives an individual subsequent immunity to both. Using a combination of analytic and numerical methods, we derive the phase diagram of the system and estimates of the expected final numbers of individuals infected with each disease. The system shows an unusual dynamical transition between dominance of one disease and dominance of the other as a function of their relative rates of growth. Close to this transition the final outcomes show strong dependence on stochastic fluctuations in the early stages of growth, dependence that decreases with increasing network size, but does so sufficiently slowly as still to be easily visible in systems with millions or billions of individuals. In most regions of the phase diagram we find that one disease eventually dominates while the other reaches only a vanishing fraction of the network, but the system also displays a significant coexistence regime in which both diseases reach epidemic proportions and infect an extensive fraction of the network.

Principal component analysis for fermionic critical points

NASA Astrophysics Data System (ADS)

Costa, Natanael C.; Hu, Wenjian; Bai, Z. J.; Scalettar, Richard T.; Singh, Rajiv R. P.

2017-11-01

We use determinant quantum Monte Carlo (DQMC), in combination with the principal component analysis (PCA) approach to unsupervised learning, to extract information about phase transitions in several of the most fundamental Hamiltonians describing strongly correlated materials. We first explore the zero-temperature antiferromagnet to singlet transition in the periodic Anderson model, the Mott insulating transition in the Hubbard model on a honeycomb lattice, and the magnetic transition in the 1/6-filled Lieb lattice. We then discuss the prospects for learning finite temperature superconducting transitions in the attractive Hubbard model, for which there is no sign problem. Finally, we investigate finite temperature charge density wave (CDW) transitions in the Holstein model, where the electrons are coupled to phonon degrees of freedom, and carry out a finite size scaling analysis to determine Tc. We examine the different behaviors associated with Hubbard-Stratonovich auxiliary field configurations on both the entire space-time lattice and on a single imaginary time slice, or other quantities, such as equal-time Green's and pair-pair correlation functions.

B Plant Complex preclosure work plan

DOE Office of Scientific and Technical Information (OSTI.GOV)

ADLER, J.G.

1999-02-02

This preclosure work plan describes the condition of the dangerous waste treatment storage, and/or disposal (TSD) unit after completion of the B Plant Complex decommissioning Transition Phase preclosure activities. This description includes waste characteristics, waste types, locations, and associated hazards. The goal to be met by the Transition Phase preclosure activities is to place the TSD unit into a safe and environmentally secure condition for the long-term Surveillance and Maintenance (S&M) Phase of the facility decommissioning process. This preclosure work plan has been prepared in accordance with Section 8.0 of the Hanford Federal Facility Agreement and Consent Order (Tri-Party Agreement)more » (Ecology et al. 1996). The preclosure work plan is one of three critical Transition Phase documents, the other two being: B Plant End Points Document (WHC-SD-WM-TPP-054) and B Plant S&M plan. These documents are prepared by the U.S. Department of Energy, Richland Operations Office (DOE-RL) and its contractors with the involvement of Washington State Department of Ecology (Ecology). The tanks and vessels addressed by this preclosure work plan are limited to those tanks end vessels included on the B Plant Complex Part A, Form 3, Permit Application (DOE/RL-88-21). The criteria for determining which tanks or vessels are in the Part A, Form 3, are discussed in the following. The closure plan for the TSD unit will not be prepared until the Disposition Phase of the facility decommissioning process is initiated, which follows the long-term S&M Phase. Final closure will occur during the Disposition Phase of the facility decommissioning process. The Waste Encapsulation Storage Facility (WESF) is excluded from the scope of this preclosure work plan.« less

Structural and phase transitions of one and two polymer mushrooms in poor solvent

NASA Astrophysics Data System (ADS)

Yang, Delian; Wang, Qiang

2014-05-01

Using the recently proposed fast lattice Monte Carlo (FLMC) simulations and the corresponding lattice self-consistent field (LSCF) calculations based on the same model system, where multiple occupancy of lattice sites is allowed [Q. Wang, Soft Matter 5, 4564 (2009); Q. Wang, Soft Matter 5, 6206 (2010)], we studied the coil-globule transition (CGT) of one-mushroom systems and the fused-separated transition (FST) of two-mushroom systems, where a polymer mushroom is formed by a group of n homopolymer chains each of N segments end-grafted at the same point onto a flat substrate and immersed in a poor solvent. With our soft potential that allows complete particle overlapping, LSCF theory neglecting the system fluctuations/correlations becomes exact in the limit of n → ∞, and FLMC results approach LSCF predictions with increasing n. Using LSCF calculations, we systematically constructed the phase diagrams of one- and two-mushroom systems. A second-order symmetric-asymmetric transition (SAT) was found in the globule state of one-mushroom systems, where the rotational symmetry around the substrate normal passing through the grafting point is broken in each individual configuration but preserved by the degeneracy of different orientations of these asymmetric configurations. Three different states were also found in two-mushroom systems: separated coils, separated globules, and fused globule. We further studied the coupling between FST in two-mushroom systems and CGT and SAT of each mushroom. Finally, direct comparisons between our simulation and theoretical results, without any parameter-fitting, unambiguously and quantitatively revealed the fluctuation/correlation effects on these phase transitions.

Absence of pressure-induced amorphization in LiKSO4.

PubMed

Machon, D; Pinheiro, C B; Bouvier, P; Dmitriev, V P; Crichton, W A

2010-08-11

Angle-resolved synchrotron radiation diffraction was used to investigate lithium potassium sulfate (LiKSO(4)) crystals under high pressure. We confirm that the title compound undergoes three phase transitions, α →β, β → γ and γ →δ, observed at around 0.8 GPa, 4.0 GPa and 7.0 GPa, respectively. Two competitive structures are proposed for the β-phase after powder diffraction data Rietveld refinements: an orthorhombic (space group Cmc 2(1)) or a monoclinic (space group Cc) structure. These structures correspond to the models of the low temperature phases. The γ-phase is indexed by a monoclinic structure. Finally, the δ-phase is found to be highly disordered. No evidence of any pressure-induced amorphous phase was observed up to 24 GPa, even under imposed highly non-hydrostatic conditions, contrary to previous propositions.

A Unique Autothermal Thermophilic Aerobic Digestion Process Showing a Dynamic Transition of Physicochemical and Bacterial Characteristics from the Mesophilic to the Thermophilic Phase.

PubMed

Tashiro, Yukihiro; Kanda, Kosuke; Asakura, Yuya; Kii, Toshihiko; Cheng, Huijun; Poudel, Pramod; Okugawa, Yuki; Tashiro, Kosuke; Sakai, Kenji

2018-03-15

A unique autothermal thermophilic aerobic digestion (ATAD) process has been used to convert human excreta to liquid fertilizer in Japan. This study investigated the changes in physicochemical and bacterial community characteristics during the full-scale ATAD process operated for approximately 3 weeks in 2 different years. After initiating simultaneous aeration and mixing using an air-inducing circulator (aerator), the temperature autothermally increased rapidly in the first 1 to 2 days with exhaustive oxygen consumption, leading to a drastic decrease and gradual increase in oxidation-reduction potential in the first 2 days, reached >50°C in the middle 4 to 6 days, and remained steady in the final phase. Volatile fatty acids were rapidly consumed and diminished in the first 2 days, whereas the ammonia nitrogen concentration was relatively stable during the process, despite a gradual pH increase to 9.3. Principal-coordinate analysis of 16S rRNA gene amplicons using next-generation sequencing divided the bacterial community structures into distinct clusters corresponding to three phases, and they were similar in the final phase in both years despite different transitions in the middle phase. The predominant phyla (closest species, dominancy) in the initial, middle, and final phases were Proteobacteria ( Arcobacter trophiarum , 19 to 43%; Acinetobacter towneri , 6.3 to 30%), Bacteroidetes ( Moheibacter sediminis , 43 to 54%), and Firmicutes ( Thermaerobacter composti , 11 to 28%; Heliorestis baculata , 2.1 to 16%), respectively. Two predominant operational taxonomic units (OTUs) in the final phase showed very low similarities to the closest species, indicating that the process is unique compared with previously published ones. This unique process with three distinctive phases would be caused by the aerator with complete aeration. IMPORTANCE Although the autothermal thermophilic aerobic digestion (ATAD) process has several advantages, such as a high degradation capacity, a short treatment period, and inactivation of pathogens, one of the factors limiting its broad application is the high electric power consumption for aerators with a full-scale bioreactor. We elucidated the dynamics of the bacterial community structures, as well as the physicochemical characteristics, in the ATAD process with a full-scale bioreactor from human excreta for 3 weeks. Our results indicated that this unique process can be divided into three distinguishable phases by an aerator with complete aeration and showed a possibility of shortening the digestion period to approximately 10 days. This research not only helps to identify which bacteria play significant roles and how the process can be improved and controlled but also demonstrates an efficient ATAD process with less electric power consumption for worldwide application. Copyright © 2018 American Society for Microbiology.

Emergent phases of fractonic matter

NASA Astrophysics Data System (ADS)

Prem, Abhinav; Pretko, Michael; Nandkishore, Rahul M.

2018-02-01

Fractons are emergent particles which are immobile in isolation, but which can move together in dipolar pairs or other small clusters. These exotic excitations naturally occur in certain quantum phases of matter described by tensor gauge theories. Previous research has focused on the properties of small numbers of fractons and their interactions, effectively mapping out the "standard model" of fractons. In the present work, however, we consider systems with a finite density of either fractons or their dipolar bound states, with a focus on the U (1 ) fracton models. We study some of the phases in which emergent fractonic matter can exist, thereby initiating the study of the "condensed matter" of fractons. We begin by considering a system with a finite density of fractons, which we show can exhibit microemulsion physics, in which fractons form small-scale clusters emulsed in a phase dominated by long-range repulsion. We then move on to study systems with a finite density of mobile dipoles, which have phases analogous to many conventional condensed matter phases. We focus on two major examples: Fermi liquids and quantum Hall phases. A finite density of fermionic dipoles will form a Fermi surface and enter a Fermi liquid phase. Interestingly, this dipolar Fermi liquid exhibits a finite-temperature phase transition, corresponding to an unbinding transition of fractons. Finally, we study chiral two-dimensional phases corresponding to dipoles in "quantum Hall" states of their emergent magnetic field. We study numerous aspects of these generalized quantum Hall systems, such as their edge theories and ground state degeneracies.

Quantum transition probabilities during a perturbing pulse: Differences between the nonadiabatic results and Fermi's golden rule forms

NASA Astrophysics Data System (ADS)

Mandal, Anirban; Hunt, Katharine L. C.

2018-05-01

For a perturbed quantum system initially in the ground state, the coefficient ck(t) of excited state k in the time-dependent wave function separates into adiabatic and nonadiabatic terms. The adiabatic term ak(t) accounts for the adjustment of the original ground state to form the new ground state of the instantaneous Hamiltonian H(t), by incorporating excited states of the unperturbed Hamiltonian H0 without transitions; ak(t) follows the adiabatic theorem of Born and Fock. The nonadiabatic term bk(t) describes excitation into another quantum state k; bk(t) is obtained as an integral containing the time derivative of the perturbation. The true transition probability is given by |bk(t)|2, as first stated by Landau and Lifshitz. In this work, we contrast |bk(t)|2 and |ck(t)|2. The latter is the norm-square of the entire excited-state coefficient which is used for the transition probability within Fermi's golden rule. Calculations are performed for a perturbing pulse consisting of a cosine or sine wave in a Gaussian envelope. When the transition frequency ωk0 is on resonance with the frequency ω of the cosine wave, |bk(t)|2 and |ck(t)|2 rise almost monotonically to the same final value; the two are intertwined, but they are out of phase with each other. Off resonance (when ωk0 ≠ ω), |bk(t)|2 and |ck(t)|2 differ significantly during the pulse. They oscillate out of phase and reach different maxima but then fall off to equal final values after the pulse has ended, when ak(t) ≡ 0. If ωk0 < ω, |bk(t)|2 generally exceeds |ck(t)|2, while the opposite is true when ωk0 > ω. While the transition probability is rising, the midpoints between successive maxima and minima fit Gaussian functions of the form a exp[-b(t - d)2]. To our knowledge, this is the first analysis of nonadiabatic transition probabilities during a perturbing pulse.

Wilson loop's phase transition probed by non-local observable

NASA Astrophysics Data System (ADS)

Li, Hui-Ling; Feng, Zhong-Wen; Yang, Shu-Zheng; Zu, Xiao-Tao

2018-04-01

In order to give further insights into the holographic Van der Waals phase transition, it would be of great interest to investigate the behavior of Wilson loop across the holographic phase transition for a higher dimensional hairy black hole. We offer a possibility to proceed with a numerical calculation in order to discussion on the hairy black hole's phase transition, and show that Wilson loop can serve as a probe to detect a phase structure of the black hole. Furthermore, for a first order phase transition, we calculate numerically the Maxwell's equal area construction; and for a second order phase transition, we also study the critical exponent in order to characterize the Wilson loop's phase transition.

Theoretical prediction of morphotropic compositions in Na1/2Bi1/2TiO3-based solid solutions from transition pressures

NASA Astrophysics Data System (ADS)

Gröting, Melanie; Albe, Karsten

2014-02-01

In this article we present a method based on ab initio calculations to predict compositions at morphotropic phase boundaries in lead-free perovskite solid solutions. This method utilizes the concept of flat free energy surfaces and involves the monitoring of pressure-induced phase transitions as a function of composition. As model systems, solid solutions of Na1/2Bi1/2TiO3 with the alkali substituted Li1/2Bi1/2TiO3 and K1/2Bi1/2TiO3 and the alkaline earth substituted CaTiO3 and BaTiO3 are chosen. The morphotropic compositions are identified by determining the composition at which the phase transition pressure equals zero. In addition, we discuss the different effects of hydrostatic pressure (compression and tension) and chemical substitution on the antiphase tilts about the [111] axis (a-a-a-) present in pure Na1/2Bi1/2TiO3 and how they develop in the two solid solutions Na1/2Bi1/2TiO3-CaTiO3 and Na1/2Bi1/2TiO3-BaTiO3. Finally, we discuss the advantages and shortcomings of this simple computational approach.

Pressure dependence of band-gap and phase transitions in bulk CuX (X = Cl, Br, I)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Azhikodan, Dilna; Nautiyal, Tashi; Sharma, S.

2016-05-06

Usually a phase transition, in theoretical studies, is explored or verified by studying the total energy as a function of the volume considering various plausible phases. The intersection point, if any, of the free energy vs. volume curves for the different phases is then the indicator of the phase transition(s). The question is, can the theoretical study of a single phase alone indicate a phase transition? i.e. can we look beyond the phase under consideration through such a study? Using density-functional theory, we report a novel approach to suggest phase transition(s) through theoretical study of a single phase. Copper halidesmore » have been engaged for this study. These are direct band-gap semiconductors, with zinc blende structure at ambient conditions, and are reported to exhibit many phase transitions. We show that the study of volume dependence of energy band-gap in a single phase facilitates looking beyond the phase under consideration. This, when translated to pressures, reflects the phase transition pressures for CuX (X = Cl, Br, I) with an encouraging accuracy. This work thus offers a simple, yet reliable, approach based on electronic structure calculations to investigate new semiconducting materials for phase changes under pressure.« less

Eigenstate Phase Transitions

NASA Astrophysics Data System (ADS)

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 ≈ 2.5.

Statistical mechanics of the vertex-cover problem

NASA Astrophysics Data System (ADS)

Hartmann, Alexander K.; Weigt, Martin

2003-10-01

We review recent progress in the study of the vertex-cover problem (VC). The VC belongs to the class of NP-complete graph theoretical problems, which plays a central role in theoretical computer science. On ensembles of random graphs, VC exhibits a coverable-uncoverable phase transition. Very close to this transition, depending on the solution algorithm, easy-hard transitions in the typical running time of the algorithms occur. We explain a statistical mechanics approach, which works by mapping the VC to a hard-core lattice gas, and then applying techniques such as the replica trick or the cavity approach. Using these methods, the phase diagram of the VC could be obtained exactly for connectivities c < e, where the VC is replica symmetric. Recently, this result could be confirmed using traditional mathematical techniques. For c > e, the solution of the VC exhibits full replica symmetry breaking. The statistical mechanics approach can also be used to study analytically the typical running time of simple complete and incomplete algorithms for the VC. Finally, we describe recent results for the VC when studied on other ensembles of finite- and infinite-dimensional graphs.

Quantum Phase Transition and Local Entanglement in Extended Hubbard Model on Anisotropic Triangular Lattices

NASA Astrophysics Data System (ADS)

Gao, Ji-Ming; Tang, Rong-An; Zhang, Zheng-Mei; Xue, Ju-Kui

2016-11-01

Using a mean-field theory based upon Hartree—Fock approximation, we theoretically investigate the competition between the metallic conductivity, spin order and charge order phases in a two-dimensional half-filled extended Hubbard model on anisotropic triangular lattice. Bond order, double occupancy, spin and charge structure factor are calculated, and the phase diagram of the extended Hubbard model is presented. It is found that the interplay of strong interaction and geometric frustration leads to exotic phases, the charge fluctuation is enhanced and three kinds of charge orders appear with the introduction of the nearest-neighbor interaction. Moreover, for different frustrations, it is also found that the antiferromagnetic insulating phase and nonmagnetic insulating phase are rapidly suppressed, and eventually disappeared as the ratio between the nearest-neighbor interaction and on-site interaction increases. This indicates that spin order is also sensitive to the nearest-neighbor interaction. Finally, the single-site entanglement is calculated and it is found that a clear discontinuous of the single-site entanglement appears at the critical points of the phase transition. Supported by National Natural Science Foundation of China under Grant Nos.11274255, 11475027 and 11305132, Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No. 20136203110001, and Technology of Northwest Normal University, China under Grants No. NWNU-LKQN-11-26

Explaining the unexpected success of the smoking ban in Italy: political strategy and transition to practice, 2000–2005.

PubMed

Mele, Valentina; Compagni, Amelia

2010-01-01

The approval (2003) and enforcement (2005) of a smoking ban in Italy have been viewed by many as an unexpectedly successful example of policy change. The present paper, by applying a processualist approach, concentrates on two policy cycles between 2000 and 2005. These had opposing outcomes: an incomplete decisional stage and an authoritative decision, enforced two years later. Through the analysis of the different phases of agenda setting, alternative specification and decision making, we have compared the quality of participation of policy entrepreneurs in the two cycles, their political strategies and, in these, the relevance of issue image. The case allows us to direct the attention of scholars and practitioners to an early phase of the policy implementation process – which we have named "transition to practice". This, managed with political strategy, might have strongly contributed to the final successful policy outcome.

Transition from partial to full PACS at a 450,000 exams/year hospital

NASA Astrophysics Data System (ADS)

Ro, Duk-Woo; Byun, Hong Sik; Choo, In W.; Kim, Bo K.; Lim, Jae H.

1997-05-01

The purpose of this paper is to describe the transition of a 1,100 beds tertiary hospital from 50 percent softcopy operation to full PACS operation. For the past 2 years, radiologists and clinicians have been using PACS to provide softcopy services to the outpatient clinics and inpatient wards of orthopedics surgery, neurosurgery and neurology as well as emergency room, surgical intensive care unit, medical intensive unit, pediatrics intensive care unit and neonatal intensive care unit. The examinations requested by these departments account for about 50 percent of hospital's radiological exams. In September 1996, we began the second phase of PACS implementation and installed additional workstations in the remaining wards and clinics, interfaced to PACS additional imaging modalities, and increased the capacity of both the image server and optical juke boxes. As of January 1997, we are in the final phase of moving away from conventional film system to full PACS operation.

Metastability at the Yield-Stress Transition in Soft Glasses

NASA Astrophysics Data System (ADS)

Lulli, Matteo; Benzi, Roberto; Sbragaglia, Mauro

2018-04-01

We study the solid-to-liquid transition in a two-dimensional fully periodic soft-glassy model with an imposed spatially heterogeneous stress. The model we consider consists of droplets of a dispersed phase jammed together in a continuous phase. When the peak value of the stress gets close to the yield stress of the material, we find that the whole system intermittently tunnels to a metastable "fluidized" state, which relaxes back to a metastable "solid" state by means of an elastic-wave dissipation. This macroscopic scenario is studied through the microscopic displacement field of the droplets, whose time statistics displays a remarkable bimodality. Metastability is rooted in the existence, in a given stress range, of two distinct stable rheological branches, as well as long-range correlations (e.g., large dynamic heterogeneity) developed in the system. Finally, we show that a similar behavior holds for a pressure-driven flow, thus suggesting possible experimental tests.

Correlation functions in first-order phase transitions

NASA Astrophysics Data System (ADS)

Garrido, V.; Crespo, D.

1997-09-01

Most of the physical properties of systems underlying first-order phase transitions can be obtained from the spatial correlation functions. In this paper, we obtain expressions that allow us to calculate all the correlation functions from the droplet size distribution. Nucleation and growth kinetics is considered, and exact solutions are obtained for the case of isotropic growth by using self-similarity properties. The calculation is performed by using the particle size distribution obtained by a recently developed model (populational Kolmogorov-Johnson-Mehl-Avrami model). Since this model is less restrictive than that used in previously existing theories, the result is that the correlation functions can be obtained for any dependence of the kinetic parameters. The validity of the method is tested by comparison with the exact correlation functions, which had been obtained in the available cases by the time-cone method. Finally, the correlation functions corresponding to the microstructure developed in partitioning transformations are obtained.

Mixed Spin-1/2 and Spin-5/2 Model by Renormalization Group Theory: Recursion Equations and Thermodynamic Study

NASA Astrophysics Data System (ADS)

Antari, A. El; Zahir, H.; Hasnaoui, A.; Hachem, N.; Alrajhi, A.; Madani, M.; Bouziani, M. El

2018-04-01

Using the renormalization group approximation, specifically the Migdal-Kadanoff technique, we investigate the Blume-Capel model with mixed spins S = 1/2 and S = 5/2 on d-dimensional hypercubic lattice. The flow in the parameter space of the Hamiltonian and the thermodynamic functions are determined. The phase diagram of this model is plotted in the (anisotropy, temperature) plane for both cases d = 2 and d = 3 in which the system exhibits the first and second order phase transitions and critical end-points. The associated fixed points are drawn up in a table, and by linearizing the transformation at the vicinity of these points, we determine the critical exponents for d = 2 and d = 3. We have also presented a variation of the free energy derivative at the vicinity of the first and second order transitions. Finally, this work is completed by a discussion and comparison with other approximation.

Role of cooperative structural distortions in the metal--insulator transitions of perovskite ferrates

NASA Astrophysics Data System (ADS)

Cammarata, Antonio; Rondinelli, James

2012-02-01

Transition-metal oxides within the perovskite crystal family exhibit strong electron--electron correlation effects that coexist with complex structural distortions, leading to metal-insulator (MI) transitions. Using first-principles density functional calculations, we investigate the effects of cooperative octahedral rotations and dilations/contractions on the charge-ordering MI-transition in CaFeO3. By calculating the evolution in the lattice phonons, which describe the different octahedral distortions present in the low-symmetry monoclinic phase of CaFeO3 with increasing electron correlation, we show that the MI-transition results from a complex interplay between these modes and correlation effects. We combine this study with group theoretical tools to disentangle the electron--lattice interactions by computing the evolution in the low-energy electronic band structure with the lattice phonons, demonstrating the MI-transition in CaFeO3 proceeds through a symmetry-lowering transition driven by a cooperative three-dimensional octahedral dilation/contraction pattern. Finally, we suggest a possible route by which to control the charge ordering by fine-tuning the electron--lattice coupling.

Vapor-crystal phase transition in synthesis of paracetamol films by vacuum evaporation and condensation

NASA Astrophysics Data System (ADS)

Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.; Bordei, N. S.; Zarembo, V. I.

2014-03-01

We report on the structural and technological investigations of the vapor-crystal phase transition during synthesis of paracetamol films of the monoclinic system by vacuum evaporation and condensation in the temperature range 220-320 K. The complex nature of the transformation accompanied by the formation of a gel-like phase is revealed. The results are interpreted using a model according to which the vapor-crystal phase transition is not a simple first-order phase transition, but is a nonlinear superposition of two phase transitions: a first-order transition with a change in density and a second-order phase transition with a change in ordering. Micrographs of the surface of the films are obtained at different phases of formation.

Location identification of closed crack based on Duffing oscillator transient transition

NASA Astrophysics Data System (ADS)

Liu, Xiaofeng; Bo, Lin; Liu, Yaolu; Zhao, Youxuan; Zhang, Jun; Deng, Mingxi; Hu, Ning

2018-02-01

The existence of a closed micro-crack in plates can be detected by using the nonlinear harmonic characteristics of the Lamb wave. However, its location identification is difficult. By considering the transient nonlinear Lamb under the noise interference, we proposed a location identification method for the closed crack based on the quantitative measurement of Duffing oscillator transient transfer in the phase space. The sliding short-time window was used to create a window truncation of to-be-detected signal. And then, the periodic extension processing for transient nonlinear Lamb wave was performed to ensure that the Duffing oscillator has adequate response time to reach a steady state. The transient autocorrelation method was used to reduce the occurrence of missed harmonic detection due to the random variable phase of nonlinear Lamb wave. Moreover, to overcome the deficiency in the quantitative analysis of Duffing system state by phase trajectory diagram and eliminate the misjudgment caused by harmonic frequency component contained in broadband noise, logic operation method of oscillator state transition function based on circular zone partition was adopted to establish the mapping relation between the oscillator transition state and the nonlinear harmonic time domain information. Final state transition discriminant function of Duffing oscillator was used as basis for identifying the reflected and transmitted harmonics from the crack. Chirplet time-frequency analysis was conducted to identify the mode of generated harmonics and determine the propagation speed. Through these steps, accurate position identification of the closed crack was achieved.

Thermal behavior of metal carboxylates—II. Lead formate

NASA Astrophysics Data System (ADS)

Baraldi, Pietro

Experimental data obtained by i.r. emission spectrometry indicate that the thermal behavior of lead formate is complex. By heating in air, after a phase transition at 115°C, decomposition takes place which may lead directly to metal and oxide or to carbonate, to a basic carbonate and finally to oxide. Under vacuum the same transformations occur at higher temperatures and lead to metal.

Tackling the Transition to UC: To Implement Unified Communications on Campus, It Often Pays to Take a Phased Approach

ERIC Educational Resources Information Center

Ramaswami, Rama

2011-01-01

In this article, the author talks about the challenges faced by two schools that lie, coincidentally, just 110 miles apart in the vast spaces of North Dakota. Both schools, members of the North Dakota University System, decided to forge ahead with a unified communications (UC) implementation. And while their final solutions differ, how the two…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhaoyi; Zhou, You; Qi, Hao

The electron-doping-induced phase transition of a prototypical perovskite SmNiO 3 induces a large and non-volatile optical refractive-index change and has great potential for active-photonic-device applications. Strong optical modulation from the visible to the mid-infrared is demonstrated using thin-film SmNiO 3. Finally, modulation of a narrow band of light is demonstrated in this paper using plasmonic metasurfaces integrated with SmNiO 3.

Phase transitions in a multistate majority-vote model on complex networks

NASA Astrophysics Data System (ADS)

Chen, Hanshuang; Li, Guofeng

2018-06-01

We generalize the original majority-vote (MV) model from two states to arbitrary p states and study the order-disorder phase transitions in such a p -state MV model on complex networks. By extensive Monte Carlo simulations and a mean-field theory, we show that for p ≥3 the order of phase transition is essentially different from a continuous second-order phase transition in the original two-state MV model. Instead, for p ≥3 the model displays a discontinuous first-order phase transition, which is manifested by the appearance of the hysteresis phenomenon near the phase transition. Within the hysteresis loop, the ordered phase and disordered phase are coexisting, and rare flips between the two phases can be observed due to the finite-size fluctuation. Moreover, we investigate the type of phase transition under a slightly modified dynamics [Melo et al., J. Stat. Mech. (2010) P11032, 10.1088/1742-5468/2010/11/P11032]. We find that the order of phase transition in the three-state MV model depends on the degree heterogeneity of networks. For p ≥4 , both dynamics produce the first-order phase transitions.

The phase transitions between Z n × Z n bosonic topological phases in 1 + 1D, and a constraint on the central charge for the critical points between bosonic symmetry protected topological phases

DOE PAGES

Tsui, Lokman; Huang, Yen-Ta; Jiang, Hong-Chen; ...

2017-03-27

The study of continuous phase transitions triggered by spontaneous symmetry breaking has brought revolutionary ideas to physics. Recently, through the discovery of symmetry protected topological phases, it is realized that continuous quantum phase transition can also occur between states with the same symmetry but different topology. Here in this paper we study a specific class of such phase transitions in 1+1 dimensions – the phase transition between bosonic topological phases protected by Z n × Z n. We find in all cases the critical point possesses two gap opening relevant operators: one leads to a Landau-forbidden symmetry breaking phase transitionmore » and the other to the topological phase transition. We also obtained a constraint on the central charge for general phase transitions between symmetry protected bosonic topological phases in 1+1D.« less

The phase transitions between Z n × Z n bosonic topological phases in 1 + 1D, and a constraint on the central charge for the critical points between bosonic symmetry protected topological phases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsui, Lokman; Huang, Yen-Ta; Jiang, Hong-Chen

The study of continuous phase transitions triggered by spontaneous symmetry breaking has brought revolutionary ideas to physics. Recently, through the discovery of symmetry protected topological phases, it is realized that continuous quantum phase transition can also occur between states with the same symmetry but different topology. Here in this paper we study a specific class of such phase transitions in 1+1 dimensions – the phase transition between bosonic topological phases protected by Z n × Z n. We find in all cases the critical point possesses two gap opening relevant operators: one leads to a Landau-forbidden symmetry breaking phase transitionmore » and the other to the topological phase transition. We also obtained a constraint on the central charge for general phase transitions between symmetry protected bosonic topological phases in 1+1D.« less

Noise Spectroscopy in Strongly Correlated Oxides

NASA Astrophysics Data System (ADS)

Alsaqqa, Ali M.

Strongly correlated materials are an interesting class of materials, thanks to the novel electronic and magnetic phenomena they exhibit as a result of the interplay of various degrees of freedom. This gives rise to an array of potential applications, from Mott-FET to magnetic storage. Many experimental probes have been used to study phase transitions in strongly correlated oxides. Among these, resistance noise spectroscopy, together with conventional transport measurements, provides a unique viewpoint to understand the microscopic dynamics near the phase transitions in these oxides. In this thesis, utilizing noise spectroscopy and transport measurements, four different strongly correlated materials were studied: (1) neodymium nickel oxide (NdNiO 3) ultrathin films, (2) vanadium dioxide (VO2) microribbons, (3) copper vanadium bronze (CuxV2O 5) microribbons and (4) niobium triselenide (NbSe3) microribbons. Ultra thin films of rare-earth nickelates exhibit several temperature-driven phase transitions. In this thesis, we studied the metal-insulator and Neel transitions in a series of NdNiO3 films with different lattice mismatches. Upon colling down, the metal-insulator phase transition is accompanied by a structural (orthorohombic to monoclinic) and magnetic (paramagnetic to antiferromagnetic) transitions as well, making the problem more interesting and complex at the same time. The noise is of the 1/f type and is Gaussian in the high temperature phase, however deviations are seen in the low temperature phases. Below the metal-insulator transition, noise magnitude increases by orders of magnitude: a sign of inhomogeneous electrical conduction as result of phase separation. This is further assured by the non-Gaussian noise signature. At very low temperatures (T < 50 K), the noise behavior switches between Gaussian and non-Gaussian over several hours, possibly arising from dynamically competing ground states. VO2 is one of the most widely studied strongly correlated oxides and is important from the fundamental physics point of view and for applications. Its transition from a metal to an insulator (MIT) with simple application of voltage is quite interesting. For use in applications, e.g. transistors, it is very important to have a clear understanding of the MIT. Equally important is the question of whether the thermally- and electrically-driven transitions have the same origin. In this thesis, we tried to answer this question by utilizing three different tuning parameters: temperature, voltage bias and strain. Our results point to an unusual noise behavior in the high-temperature metallic phase, and provide valuable insight into the transport dynamics of this material. CuxV2O5 exhibit a metal-insulator transition and, more interestingly, a superconductivity transition. Unlike VO2, copper vanadium bronzes are much less studied and many questions are still open, including the possibility of charge ordering transition, just like in other members of the vanadium family. In this thesis, we studied this material and found evidences for charge ordering transitions and possibly other transitions as well. The last material, NbSe3, is a prototypical example of charge density wave systems, where Peierls transitions exist. Here, we study the effects of contacts on resistance noise in the 1D limit. The study aimed to confirm that the electric field threshold is sample length independent, to find out if there is a relation between contact separation and the noise generated and to explore the characteristics of the contact noise. The results confirm that the electric field threshold is independent of the sample length. It was also found that the separation between the contacts does not affect the noise. Finally, the contact noise is of the 1/f-type and has a Gaussian distribution. These results are timely for future device applications utilizing NbSe3.

Study of a structural phase transition by two dimensional Fourier transform NMR method

NASA Astrophysics Data System (ADS)

Trokiner, A.; Man, P. P.; Théveneau, H.; Papon, P.

1985-09-01

The fluoroperovskite RbCaF 3 undergoes a structural phase transition at 195.5 K, from a cubic phase where the 87Rb nuclei have no quadrupolar interaction ( ωQ= 0) to a tetragonal phase where ω Q ≠ O. The transition is weakly first-order. A two-dimensional FT NMR experiment has been performed on 87Rb ( I = {3}/{2}) in a single crystal in both phases and in the vicinity of the phase transition. Our results show the coexistence of the two phases at the phase transition.

Raman microscopy of lithium-manganese-rich transition metal oxide cathodes

DOE PAGES

Ruther, Rose E.; Callender, Andrew F.; Zhou, Hui; ...

2014-11-15

Lithium-rich and manganese-rich (LMR) layered transition metal (TM) oxide composites with general formula xLi 2MnO 3·(1-x)LiMO 2 (M = Ni, Co, Mn) are promising cathode candidates for high energy density lithium ion batteries. Lithium-manganese-rich TM oxides crystallize as a nanocomposite layered phase whose structure further evolves with electrochemical cycling. Raman spectroscopy is a powerful tool to monitor the crystal chemistry and correlate phase changes with electrochemical behavior. While several groups have reported Raman spectra of lithium rich TM oxides, the data show considerable variability in terms of both the vibrational features observed and their interpretation. In this paper, Raman microscopymore » is used to investigate lithium-rich and manganese-rich TM cathodes as a function of voltage and electrochemical cycling at various temperatures. No growth of a spinel phase is observed within the cycling conditions. However, analysis of the Raman spectra does indicate the structure of LMR-NMC deviates significantly from an ideal layered phase. Finally, the results also highlight the importance of using low laser power and large sample sizes to obtain consistent data sets.« less

Analysis of dynamic cantilever behavior in tapping mode atomic force microscopy.

PubMed

Deng, Wenqi; Zhang, Guang-Ming; Murphy, Mark F; Lilley, Francis; Harvey, David M; Burton, David R

2015-10-01

Tapping mode atomic force microscopy (AFM) provides phase images in addition to height and amplitude images. Although the behavior of tapping mode AFM has been investigated using mathematical modeling, comprehensive understanding of the behavior of tapping mode AFM still poses a significant challenge to the AFM community, involving issues such as the correct interpretation of the phase images. In this paper, the cantilever's dynamic behavior in tapping mode AFM is studied through a three dimensional finite element method. The cantilever's dynamic displacement responses are firstly obtained via simulation under different tip-sample separations, and for different tip-sample interaction forces, such as elastic force, adhesion force, viscosity force, and the van der Waals force, which correspond to the cantilever's action upon various different representative computer-generated test samples. Simulated results show that the dynamic cantilever displacement response can be divided into three zones: a free vibration zone, a transition zone, and a contact vibration zone. Phase trajectory, phase shift, transition time, pseudo stable amplitude, and frequency changes are then analyzed from the dynamic displacement responses that are obtained. Finally, experiments are carried out on a real AFM system to support the findings of the simulations. © 2015 Wiley Periodicals, Inc.

Transition from positive to neutral in mutation fixation along with continuing rising fitness in thermal adaptive evolution.

PubMed

Kishimoto, Toshihiko; Iijima, Leo; Tatsumi, Makoto; Ono, Naoaki; Oyake, Ayana; Hashimoto, Tomomi; Matsuo, Moe; Okubo, Masato; Suzuki, Shingo; Mori, Kotaro; Kashiwagi, Akiko; Furusawa, Chikara; Ying, Bei-Wen; Yomo, Tetsuya

2010-10-21

It remains to be determined experimentally whether increasing fitness is related to positive selection, while stationary fitness is related to neutral evolution. Long-term laboratory evolution in Escherichia coli was performed under conditions of thermal stress under defined laboratory conditions. The complete cell growth data showed common continuous fitness recovery to every 2°C or 4°C stepwise temperature upshift, finally resulting in an evolved E. coli strain with an improved upper temperature limit as high as 45.9°C after 523 days of serial transfer, equivalent to 7,560 generations, in minimal medium. Two-phase fitness dynamics, a rapid growth recovery phase followed by a gradual increasing growth phase, was clearly observed at diverse temperatures throughout the entire evolutionary process. Whole-genome sequence analysis revealed the transition from positive to neutral in mutation fixation, accompanied with a considerable escalation of spontaneous substitution rate in the late fitness recovery phase. It suggested that continually increasing fitness not always resulted in the reduction of genetic diversity due to the sequential takeovers by fit mutants, but caused the accumulation of a considerable number of mutations that facilitated the neutral evolution.

Hill crossing during preheating after hilltop inflation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Antusch, Stefan; Nolde, David; Orani, Stefano, E-mail: stefan.antusch@unibas.ch, E-mail: david.nolde@unibas.ch, E-mail: stefano.orani@unibas.ch

2015-06-01

In ''hilltop inflation'', inflation takes place when the inflaton field slowly rolls from close to a maximum of its potential (i.e. the ''hilltop'') towards its minimum. When the inflaton potential is associated with a phase transition, possible topological defects produced during this phase transition, such as domain walls, are efficiently diluted during inflation. It is typically assumed that they also do not reform after inflation, i.e. that the inflaton field stays on its side of the ''hill'', finally performing damped oscillations around the minimum of the potential. In this paper we study the linear and the non-linear phases of preheatingmore » after hilltop inflation. We find that the fluctuations of the inflaton field during the tachyonic oscillation phase grow strong enough to allow the inflaton field to form regions in position space where it crosses ''over the top of the hill'' towards the ''wrong vacuum''. We investigate the formation and behaviour of these overshooting regions using lattice simulations: rather than durable domain walls, these regions form oscillon-like structures (i.e. localized bubbles that oscillate between the two vacua) which should be included in a careful study of preheating in hilltop inflation.« less

Superconductor to Mott insulator transition in YBa 2Cu 3O 7/LaCaMnO 3 heterostructures

DOE PAGES

Gray, B. A.; Middey, S.; Conti, G.; ...

2016-09-15

The superconductor-to-insulator transition (SIT) induced by means such as external magnetic fields, disorder or spatial confinement is a vivid illustration of a quantum phase transition dramatically affecting the superconducting order parameter. In this paper, in pursuit of a new realization of the SIT by interfacial charge transfer, we developed extremely thin superlattices composed of high Tc superconductor YBa 2Cu 3O 7 (YBCO) and colossal magnetoresistance ferromagnet La 0.67Ca 0.33MnO 3 (LCMO). By using linearly polarized resonant X-ray absorption spectroscopy and magnetic circular dichroism, combined with hard X-ray photoelectron spectroscopy, we derived a complete picture of the interfacial carrier doping inmore » cuprate and manganite atomic layers, leading to the transition from superconducting to an unusual Mott insulating state emerging with the increase of LCMO layer thickness. In addition, contrary to the common perception that only transition metal ions may respond to the charge transfer process, we found that charge is also actively compensated by rare-earth and alkaline-earth metal ions of the interface. Finally, such deterministic control of Tc by pure electronic doping without any hindering effects of chemical substitution is another promising route to disentangle the role of disorder on the pseudo-gap and charge density wave phases of underdoped cuprates.« less

Morphological Evolution of Gyroid-Forming Block Copolymer Thin Films with Varying Solvent Evaporation Rate.

PubMed

Wu, Yi-Hsiu; Lo, Ting-Ya; She, Ming-Shiuan; Ho, Rong-Ming

2015-08-05

In this study, we aim to examine the morphological evolution of block copolymer (BCP) nanostructured thin films through solvent evaporation at different rates for solvent swollen polystyrene-block-poly(l-lactide) (PS-PLLA). Interesting phase transitions from disorder to perpendicular cylinder and then gyroid can be found while using a partially selective solvent for PS to swell PS-PLLA thin film followed by solvent evaporation. During the transitions, gyroid-forming BCP thin film with characteristic crystallographic planes of (111)G, (110)G, and (211)G parallel to air surface can be observed, and will gradually transform into coexisting (110)G and (211)G planes, and finally transforms to (211)G plane due to the preferential segregation of constituted block to the surface (i.e., the thermodynamic origin for self-assembly) that affects the relative amount of each component at the air surface. With the decrease on the evaporation rate, the disorder phase will transform to parallel cylinder and then directly to (211)G without transition to perpendicular cylinder phase. Most importantly, the morphological evolution of PS-PLLA thin films is strongly dependent upon the solvent removal rate only in the initial stage of the evaporation process due to the anisotropy of cylinder structure. Once the morphology is transformed back to the isotropic gyroid structure after long evaporation, the morphological evolution will only relate to the variation of the surface composition. Similar phase transitions at the substrate can also be obtained by controlling the ratio of PLLA-OH to PS-OH homopolymers to functionalize the substrate. As a result, the fabrication of well-defined nanostructured thin films with controlled orientation can be achieved by simple swelling and deswelling with controlled evaporation rate.

Probabilistic physical characteristics of phase transitions at highway bottlenecks: incommensurability of three-phase and two-phase traffic-flow theories.

PubMed

Kerner, Boris S; Klenov, Sergey L; Schreckenberg, Michael

2014-05-01

Physical features of induced phase transitions in a metastable free flow at an on-ramp bottleneck in three-phase and two-phase cellular automaton (CA) traffic-flow models have been revealed. It turns out that at given flow rates at the bottleneck, to induce a moving jam (F → J transition) in the metastable free flow through the application of a time-limited on-ramp inflow impulse, in both two-phase and three-phase CA models the same critical amplitude of the impulse is required. If a smaller impulse than this critical one is applied, neither F → J transition nor other phase transitions can occur in the two-phase CA model. We have found that in contrast with the two-phase CA model, in the three-phase CA model, if the same smaller impulse is applied, then a phase transition from free flow to synchronized flow (F → S transition) can be induced at the bottleneck. This explains why rather than the F → J transition, in the three-phase theory traffic breakdown at a highway bottleneck is governed by an F → S transition, as observed in real measured traffic data. None of two-phase traffic-flow theories incorporates an F → S transition in a metastable free flow at the bottleneck that is the main feature of the three-phase theory. On the one hand, this shows the incommensurability of three-phase and two-phase traffic-flow theories. On the other hand, this clarifies why none of the two-phase traffic-flow theories can explain the set of fundamental empirical features of traffic breakdown at highway bottlenecks.

Growth Substrate- and Phase-Specific Expression of Biphenyl, Benzoate, and C1 Metabolic Pathways in Burkholderia xenovorans LB400

PubMed Central

Denef, V. J.; Patrauchan, M. A.; Florizone, C.; Park, J.; Tsoi, T. V.; Verstraete, W.; Tiedje, J. M.; Eltis, L. D.

2005-01-01

Recent microarray experiments suggested that Burkholderia xenovorans LB400, a potent polychlorinated biphenyl (PCB)-degrading bacterium, utilizes up to three apparently redundant benzoate pathways and a C1 metabolic pathway during biphenyl and benzoate metabolism. To better characterize the roles of these pathways, we performed quantitative proteome profiling of cells grown on succinate, benzoate, or biphenyl and harvested during either mid-logarithmic growth or the transition between the logarithmic and stationary growth phases. The Bph enzymes, catabolizing biphenyl, were ∼16-fold more abundant in biphenyl- versus succinate-grown cells. Moreover, the upper and lower bph pathways were independently regulated. Expression of each benzoate pathway depended on growth substrate and phase. Proteins specifying catabolism via benzoate dihydroxylation and catechol ortho-cleavage (ben-cat pathway) were approximately an order of magnitude more abundant in benzoate- versus biphenyl-grown cells at the same growth phase. The chromosomal copy of the benzoyl-coenzyme A (CoA) (boxC) pathway was also expressed during growth on biphenyl: BoxC proteins were approximately twice as abundant as Ben and Cat proteins under these conditions. By contrast, proteins of the megaplasmid copy of the benzoyl-CoA (boxM) pathway were only detected in transition-phase benzoate-grown cells. Other proteins detected at increased levels in benzoate- and biphenyl-grown cells included general stress response proteins potentially induced by reactive oxygen species formed during aerobic aromatic catabolism. Finally, C1 metabolic enzymes were present in biphenyl-grown cells during transition phase. This study provides insights into the physiological roles and integration of apparently redundant catabolic pathways in large-genome bacteria and establishes a basis for investigating the PCB-degrading abilities of this strain. PMID:16291673

Late Mesolithic and early Neolithic forest disturbance: a high resolution palaeoecological test of human impact hypotheses

NASA Astrophysics Data System (ADS)

Innes, James B.; Blackford, Jeffrey J.; Rowley-Conwy, Peter A.

2013-10-01

The transition in north-west Europe from the hunter-gatherer societies of the Late Mesolithic to the pioneer farming societies of the early Neolithic is not well understood, either culturally or palaeoecologically. In Britain the final transition was rapid but it is unclear whether novel Neolithic attributes were introduced by immigrants who supplanted the native hunter-gatherers, or whether the latest Mesolithic foragers gradually adopted elements of the Neolithic economic package. In this study, relatively coarse- (10 mm interval) and fine-resolution (2 mm), multi-proxy palaeoecological data including pollen, charcoal and NPPs including fungi, have been used to investigate two phases of vegetation disturbance of (a) distinctly Late Mesolithic and (b) early Neolithic age, at an upland site in northern England in a region with both a Neolithic and a Late Mesolithic archaeological presence. We identify and define the palaeoecological characteristics of these two disturbance phases, about a millennium apart, in order to investigate whether differing land-use techniques can be identified and categorised as of either foraging or early farming cultures. The Late Mesolithic phase is defined by the repetitive application of fire to the woodland to encourage a mosaic of productive vegetation regeneration patches, consistent with the promotion of Corylus and to aid hunting. In this phase, weed species including Plantago lanceolata, Rumex and Chenopodiaceae are frequent, taxa which are normally associated with the first farmers. The early Neolithic phase, including an Ulmus decline, has characteristics consistent with 'forest farming', possibly mainly for domestic livestock, with an inferred succession of tree girdling, fire-prepared cultivation, and coppice-woodland management. Such fine-resolution, potentially diagnostic land-use signatures may in future be used to recognise the cultural complexion of otherwise enigmatic woodland disturbance phases during the centuries of the Mesolithic-Neolithic transition.

Origin of colossal magnetoresistance in LaMnO 3 manganite

DOE PAGES

Baldini, Maria; Muramatsu, Takaki; Sherafati, Mohammad; ...

2015-08-13

Phase separation is a crucial ingredient of the physics of manganites; however, the role of mixed phases in the development of the colossal magnetoresistance (CMR) phenomenon still needs to be clarified. In this paper, we report the realization of CMR in a single-valent LaMnO 3 manganite. We found that the insulator-to-metal transition at 32 GPa is well described using the percolation theory. Pressure induces phase separation, and the CMR takes place at the percolation threshold. A large memory effect is observed together with the CMR, suggesting the presence of magnetic clusters. The phase separation scenario is well reproduced, solving amore » model Hamiltonian. Finally, our results demonstrate in a clean way that phase separation is at the origin of CMR in LaMnO 3.« less

Critical mingling and universal correlations in model binary active liquids

NASA Astrophysics Data System (ADS)

Bain, Nicolas; Bartolo, Denis

2017-06-01

Ensembles of driven or motile bodies moving along opposite directions are generically reported to self-organize into strongly anisotropic lanes. Here, building on a minimal model of self-propelled bodies targeting opposite directions, we first evidence a critical phase transition between a mingled state and a phase-separated lane state specific to active particles. We then demonstrate that the mingled state displays algebraic structural correlations also found in driven binary mixtures. Finally, constructing a hydrodynamic theory, we single out the physical mechanisms responsible for these universal long-range correlations typical of ensembles of oppositely moving bodies.

Structural phase transition in monolayer MoTe2 driven by electrostatic doping

NASA Astrophysics Data System (ADS)

Wang, Ying; Xiao, Jun; Zhu, Hanyu; Li, Yao; Alsaid, Yousif; Fong, King Yan; Zhou, Yao; Wang, Siqi; Shi, Wu; Wang, Yuan; Zettl, Alex; Reed, Evan J.; Zhang, Xiang

2017-10-01

Monolayers of transition-metal dichalcogenides (TMDs) exhibit numerous crystal phases with distinct structures, symmetries and physical properties. Exploring the physics of transitions between these different structural phases in two dimensions may provide a means of switching material properties, with implications for potential applications. Structural phase transitions in TMDs have so far been induced by thermal or chemical means; purely electrostatic control over crystal phases through electrostatic doping was recently proposed as a theoretical possibility, but has not yet been realized. Here we report the experimental demonstration of an electrostatic-doping-driven phase transition between the hexagonal and monoclinic phases of monolayer molybdenum ditelluride (MoTe2). We find that the phase transition shows a hysteretic loop in Raman spectra, and can be reversed by increasing or decreasing the gate voltage. We also combine second-harmonic generation spectroscopy with polarization-resolved Raman spectroscopy to show that the induced monoclinic phase preserves the crystal orientation of the original hexagonal phase. Moreover, this structural phase transition occurs simultaneously across the whole sample. This electrostatic-doping control of structural phase transition opens up new possibilities for developing phase-change devices based on atomically thin membranes.

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rotundu, Costel R.; Wen, Jiajia; He, Wei

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. We performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at similar to 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Finally, further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

DOE PAGES

Rotundu, Costel R.; Wen, Jiajia; He, Wei; ...

2018-02-15

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. We performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at similar to 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Nearmore » the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Finally, further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.« less

Concurrence of dynamical phase transitions at finite temperature in the fully connected transverse-field Ising model

NASA Astrophysics Data System (ADS)

Lang, Johannes; Frank, Bernhard; Halimeh, Jad C.

2018-05-01

We construct the finite-temperature dynamical phase diagram of the fully connected transverse-field Ising model from the vantage point of two disparate concepts of dynamical criticality. An analytical derivation of the classical dynamics and exact diagonalization simulations are used to study the dynamics after a quantum quench in the system prepared in a thermal equilibrium state. The different dynamical phases characterized by the type of nonanalyticities that emerge in an appropriately defined Loschmidt-echo return rate directly correspond to the dynamical phases determined by the spontaneous breaking of Z2 symmetry in the long-time steady state. The dynamical phase diagram is qualitatively different depending on whether the initial thermal state is ferromagnetic or paramagnetic. Whereas the former leads to a dynamical phase diagram that can be directly related to its equilibrium counterpart, the latter gives rise to a divergent dynamical critical temperature at vanishing final transverse-field strength.

Global entanglement and quantum phase transitions in the transverse XY Heisenberg chain

NASA Astrophysics Data System (ADS)

Radgohar, Roya; Montakhab, Afshin

2018-01-01

We provide a study of various quantum phase transitions occurring in the XY Heisenberg chain in a transverse magnetic field using the Meyer-Wallach (MW) measure of (global) entanglement. Such a measure, while being readily evaluated, is a multipartite measure of entanglement as opposed to more commonly used bipartite measures. Consequently, we obtain analytic expression of the measure for finite-size systems and show that it can be used to obtain critical exponents via finite-size scaling with great accuracy for the Ising universality class. We also calculate an analytic expression for the isotropic (XX) model and show that global entanglement can precisely identify the level-crossing points. The critical exponent for the isotropic transition is obtained exactly from an analytic expression for global entanglement in the thermodynamic limit. Next, the general behavior of the measure is calculated in the thermodynamic limit considering the important role of symmetries for this limit. The so-called oscillatory transition in the ferromagnetic regime can only be characterized by the thermodynamic limit where global entanglement is shown to be zero on the transition curve. Finally, the anisotropic transition is explored where it is shown that global entanglement exhibits an interesting behavior in the finite-size limit. In the thermodynamic limit, we show that global entanglement shows a cusp singularity across the Ising and anisotropic transition, while showing non-analytic behavior at the XX multicritical point. It is concluded that global entanglement, despite its relative simplicity, can be used to identify all the rich structure of the ground-state Heisenberg chain.

Experimental Evidence for a Structural-Dynamical Transition in Trajectory Space.

PubMed

Pinchaipat, Rattachai; Campo, Matteo; Turci, Francesco; Hallett, James E; Speck, Thomas; Royall, C Patrick

2017-07-14

Among the key insights into the glass transition has been the identification of a nonequilibrium phase transition in trajectory space which reveals phase coexistence between the normal supercooled liquid (active phase) and a glassy state (inactive phase). Here, we present evidence that such a transition occurs in experiments. In colloidal hard spheres, we find a non-Gaussian distribution of trajectories leaning towards those rich in locally favored structures (LFSs), associated with the emergence of slow dynamics. This we interpret as evidence for a nonequilibrium transition to an inactive LFS-rich phase. Reweighting trajectories reveals a first-order phase transition in trajectory space between a normal liquid and a LFS-rich phase. We also find evidence for a purely dynamical transition in trajectory space.

Theoretical exploration of competing phases of lattice Bose gases in a cavity

NASA Astrophysics Data System (ADS)

Liao, Renyuan; Chen, Huang-Jie; Zheng, Dong-Chen; Huang, Zhi-Gao

2018-01-01

We consider bosonic atoms loaded into optical lattices with cavity-mediated infinite-range interactions. Competing short- and global-range interactions cultivate a rich phase diagram. With a systematic field-theoretical perspective, we present an analytical construction of a global ground-state phase diagram. We find that the infinite-range interaction enhances the fluctuation of the number density. In the strong-coupling regime, we find four branches of elementary excitations, with two being "particlelike" and two being "holelike," and that the excitation gap becomes soft at the phase boundary between compressible phases and incompressible phases. We derive an effective theory describing compressible superfluid and supersolid states. To complement this perturbative study, we construct a self-consistent mean-field theory and find numerical results consistent with our theoretical analysis. We map out the phase diagram and find that a charge density wave may undergo a structure phase transition to a different charge density wave before it finally enters into the supersolid phase driven by increasing the hopping amplitude.

The mechanism of vapor phase hydration of calcium oxide: implications for CO2 capture.

PubMed

Kudłacz, Krzysztof; Rodriguez-Navarro, Carlos

2014-10-21

Lime-based sorbents are used for fuel- and flue-gas capture, thereby representing an economic and effective way to reduce CO2 emissions. Their use involves cyclic carbonation/calcination which results in a significant conversion reduction with increasing number of cycles. To reactivate spent CaO, vapor phase hydration is typically performed. However, little is known about the ultimate mechanism of such a hydration process. Here, we show that the vapor phase hydration of CaO formed after calcination of calcite (CaCO3) single crystals is a pseudomorphic, topotactic process, which progresses via an intermediate disordered phase prior to the final formation of oriented Ca(OH)2 nanocrystals. The strong structural control during this solid-state phase transition implies that the microstructural features of the CaO parent phase predetermine the final structural and physicochemical (reactivity and attrition) features of the product hydroxide. The higher molar volume of the product can create an impervious shell around unreacted CaO, thereby limiting the efficiency of the reactivation process. However, in the case of compact, sintered CaO structures, volume expansion cannot be accommodated in the reduced pore volume, and stress generation leads to pervasive cracking. This favors complete hydration but also detrimental attrition. Implications of these results in carbon capture and storage (CCS) are discussed.

Nanoparticle formation after nanosecond-laser irradiation of thin gold films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ratautas, Karolis; Gedvilas, Mindaugas; Raciukaitis, Gediminas

2012-07-01

Evolution in nanoparticle formation was observed after nanosecond-laser irradiation of thin gold films on a silicon substrate and physical phenomena leading to the formation of nanoparticles were studied. Gold films of different thickness (3, 5, 10, 15, 20, and 25 nm) were evaporated on the silicon (110) substrate and irradiated with the pulsed nanosecond laser using different pulse energies and the number of pulses in a burst. Experimentally morphological changes appeared in the films only when the pulse energy was high enough to initiate the phase transition. The threshold energy density for phase transitions in the films was estimated frommore » the thermal model of the laser beam and sample interaction. With the pulse energy just above the threshold, it was possible to observe evolution of nanoparticle formation from a plane metal film by changing the number of pulses applied, as duration of the pulse burst represented the time how long the liquid phase existed. The final size of nanoparticles was a function of the film thickness and was found to be independent of the pulse energy and the number of pulses.« less

Characteristics and development of European cyclones with tropical origin in reanalysis data

NASA Astrophysics Data System (ADS)

Dekker, Mark M.; Haarsma, Reindert J.; Vries, Hylke de; Baatsen, Michiel; Delden, Aarnout J. van

2018-01-01

Major storm systems over Europe frequently have a tropical origin. This paper analyses the characteristics and dynamics of such cyclones in the observational record, using MERRA reanalysis data for the period 1979-2013. By stratifying the cyclones along three key phases of their development (tropical phase, extratropical transition and final re-intensification), we identify four radically different life cycles: the tropical cyclone and extratropical cyclone life cycles, the classic extratropical transition and the warm seclusion life cycle. More than 50% of the storms reaching Europe from low latitudes follow the warm seclusion life cycle. It also contains the strongest cyclones. They are characterized by a warm core and a frontal T-bone structure, with a northwestward warm conveyor belt and the effects of dry intrusion. Rapid deepening occurs in the latest phase, around their arrival in Europe. Both baroclinic instability and release of latent heat contribute to the strong intensification. The pressure minimum occurs often a day after entering Europe, which enhances the potential threat of warm seclusion storms for Europe. The impact of a future warmer climate on the development of these storms is discussed.

Electromechanical properties of Na0.5Bi0.5TiO3-SrTiO3-PbTiO3 solid solutions

NASA Astrophysics Data System (ADS)

Svirskas, Šarūnas; Dunce, Marija; Birks, Eriks; Sternberg, Andris; Banys, Jūras

2018-03-01

Thorough studies of electric field-induced strain are presented in 0.4Na1/2Bi1/2TiO3-(0.6-x)SrTiO3-xPbTiO3 (NBT-ST-PT) ternary solid solutions. The increase of concentration of lead x induces crossover from relaxor to ferroelectric. Strain in a relaxor state can be described by electrostrictive behavior. The electrostrictive coefficients correspond to other well-known relaxor ferroelectrics. The concentration region with a stable ferroelectric phase revealed that the polarization dependence of strain does not exhibit nonlinearity, although they are inherent to the electric field dependence of strain. In this case, electric field dependence of strain is described in terms of the Rayleigh law and the role of domain wall contribution is extracted. Finally, the character of strain at the electric field-induced phase transition between the nonpolar and the ferroelectric states is studied. The data shows that in the vicinity of the electric field induced phase transition the strain vs. electric field displays electrostrictive character.

Minority games, evolving capitals and replicator dynamics

NASA Astrophysics Data System (ADS)

Galla, Tobias; Zhang, Yi-Cheng

2009-11-01

We discuss a simple version of the minority game (MG) in which agents hold only one strategy each, but in which their capitals evolve dynamically according to their success and in which the total trading volume varies in time accordingly. This feature is known to be crucial for MGs to reproduce stylized facts of real market data. The stationary states and phase diagram of the model can be computed, and we show that the ergodicity breaking phase transition common for MGs, and marked by a divergence of the integrated response, is present also in this simplified model. An analogous majority game turns out to be relatively void of interesting features, and the total capital is found to diverge in time. Introducing a restraining force leads to a model akin to the replicator dynamics of evolutionary game theory, and we demonstrate that here a different type of phase transition is observed. Finally we briefly discuss the relation of this model with one strategy per player to more sophisticated minority games with dynamical capitals and several trading strategies per agent.

NK Cells, Tumor Cell Transition, and Tumor Progression in Solid Malignancies: New Hints for NK-Based Immunotherapy?

PubMed Central

Huergo-Zapico, Leticia; Parodi, Monica; Pedrazzi, Marco; Mingari, Maria Cristina; Sparatore, Bianca; Gonzalez, Segundo; Olive, Daniel; Bottino, Cristina

2016-01-01

Several evidences suggest that NK cells can patrol the body and eliminate tumors in their initial phases but may hardly control established solid tumors. Multiple factors, including the transition of tumor cells towards a proinvasive/prometastatic phenotype, the immunosuppressive effect of the tumor microenvironment, and the tumor structure complexity, may account for limited NK cell efficacy. Several putative mechanisms of NK cell suppression have been defined in these last years; conversely, the cross talk between NK cells and tumor cells undergoing different transitional phases remains poorly explored. Nevertheless, recent in vitro studies and immunohistochemical analyses on tumor biopsies suggest that NK cells could not only kill tumor cells but also influence their evolution. Indeed, NK cells may induce tumor cells to change the expression of HLA-I, PD-L1, or NKG2D-L and modulate their susceptibility to the immune response. Moreover, NK cells may be preferentially located in the borders of tumor masses, where, indeed, tumor cells can undergo Epithelial-to-Mesenchymal Transition (EMT) acquiring prometastatic phenotype. Finally, the recently highlighted role of HMGB1 both in EMT and in amplifying the recruitment of NK cells provides further hints on a possible effect of NK cells on tumor progression and fosters new studies on this issue. PMID:27294158

Phase Variations, Transits and Eclipses of the Misfit CoRoT-2b

NASA Astrophysics Data System (ADS)

Cowan, Nicolas; Deming, Drake; Gillon, Michael; Knutson, Heather; Madhusudhan, Nikku; Rauscher, Emily

2011-05-01

We propose to observe the nearby transiting hot Jupiter CoRoT-2b for a little over one planetary orbit on two occasions, yielding two secondary eclipses, a transit, and a full phase curve in each of the 3.6 and 4.5 micron channels. These data will help resolve the unique nature of this bloated planet: CoRoT-2b is the only hot Jupiter that is poorly fit by either inverted or non-inverted spectral models (Deming et al. 2011). Two hypotheses have been proposed to explain the peculiar mid-IR colors of CoRoT-2b, and thermal phase measurements with Spitzer's continuous, high-precision photometry will be able to distinguish between them: the planet has a non-inverted atmosphere but is losing mass to its host star, or the planet has a peculiar kind of temperature inversion due to mysterious atmospheric scatterers. CoRoT-2b is also among the most inflated hot Jupiters and, because of its relatively large mass, cannot be reconciled with interior evolution models, despite a small but non-zero eccentricity. A recent planetary collision may be necessary to explain the planet's youthful radius (Guillot & Havel 2011). Finally, the planet's extremely young host star, CoRoT-2, is the most chromospherically active of all transit hosts. This appears to be a common thread connecting all of its planet's peculiarities: the high UV flux of the star will drive mass loss, as well as photochemistry. Most importantly, the radius measurement of the planet at optical wavelengths may be contaminated by star spots. Mid-IR transit measurements from Spitzer will help resolve the mystery of CoRoT-2b's inflated radius.

High field 27Al MAS NMR and TPD studies of active sites in ethanol dehydration using thermally treated transitional aluminas as catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Jian Zhi; Xu, Suochang; Kwak, Ja Hun

Gamma-, sigma- and theta-Al2O3 are well known metastable “transitional” alumina structural polymorphs. Upon heating, Al2O3 transitions to the so-called and Al2O3 polymorphs and finally forms the thermally stable Al2O3. The poorly developed crystallinity and co-existence of the , , and Al2O3 prior to forming all Al2O3, making it difficult to characterize the structures as well as to quantify the various phases of the transition alumina. As a result, there are significant controversies in the literatures. In this work, a detailed NMR analysis was carried out at high magnetic field on three special aluminum oxide samples where the, , , Al2O3more » phases are made dominant, respectively, by controlling the synthesis conditions. The goal is to simplify, including making unambiguous, spectral assignments in 27Al MAS NMR spectra of transition alumina that have not yet been commonly agreed previously. Specifically, quantitative 1D 27Al MAS NMR was used to quantify the ratios of the different alumina structural units, 2D MQMAS 27Al MAS was used for obtaining the highest spectral resolution to guide the analysis of the 1D spectrum, and a saturation pulse sequence was integrated into the 1D NMR to select the amorphous structures, including obtain spectra where the penta-coordinate sites are observed with enhanced relative intensity. Collectively, this study uniquely assigns Al-peaks (both octahedral and tetrahedral) to the Al2O3 and the Al2O3 phases and offers a new way of understanding, including quantifying, the different structural units and sites in transition alumina samples.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Renlund, Anita Mariana; Tappan, Alexander Smith; Miller, Jill C.

The HMX {beta}-{delta} solid-solid phase transition, which occurs as HMX is heated near 170 C, is linked to increased reactivity and sensitivity to initiation. Thermally damaged energetic materials (EMs) containing HMX therefore may present a safety concern. Information about the phase transition is vital to predictive safety models for HMX and HMX-containing EMs. We report work on monitoring the phase transition with real-time Raman spectroscopy aimed towards obtaining a better understanding of physical properties of HMX through the phase transition. HMX samples were confined in a cell of minimal free volume in a displacement-controlled or load-controlled arrangement. The cell wasmore » heated and then cooled at controlled rates while real-time Raman spectroscopic measurements were performed. Raman spectroscopy provides a clear distinction between the phases of HMX because the vibrational transitions of the molecule change with conformational changes associated with the phase transition. Temperature of phase transition versus load data are presented for both the heating and cooling cycles in the load-controlled apparatus, and general trends are discussed. A weak dependence of the temperature of phase transition on load was discovered during the heating cycle, with higher loads causing the phase transition to occur at a higher temperature. This was especially true in the temperature of completion of phase transition data as opposed to the temperature of onset of phase transition data. A stronger dependence on load was observed in the cooling cycle, with higher loads causing the reverse phase transitions to occur at a higher cooling temperature. Also, higher loads tended to cause the phase transition to occur over a longer period of time in the heating cycle and over a shorter period of time in the cooling cycle. All three of the pure HMX phases ({alpha}, {beta} and {delta}) were detected on cooling of the heated samples, either in pure form or as a mixture.« less

Controlling the Temperature and Speed of the Phase Transition of VO 2 Microcrystals

DOE PAGES

Yoon, Joonseok; Kim, Howon; Chen, Xian; ...

2015-12-29

Here, we investigated the control of two important parameters of vanadium dioxide (VO 2 ) microcrystals, the phase transition temperature and speed, by varying microcrystal width. By using the reflectivity change between insulating and metallic phases, phase transition temperature is measured by optical microscopy. As the width of square cylinder-shaped microcrystals decreases from ~70 to ~1 μm, the phase transition temperature (67 °C for bulk) varied as much as 26.1 °C (19.7 °C) during heating (cooling). In addition, the propagation speed of phase boundary in the microcrystal, i.e., phase transition speed, is monitored at the onset of phase transition bymore » using the high-speed resistance measurement. The phase transition speed increases from 4.6 × 10 2 to 1.7 × 10 4 μm/s as the width decreases from ~50 to ~2 μm. While the statistical description for a heterogeneous nucleation process explains the size dependence on phase transition temperature of VO 2 , the increase of effective thermal exchange process is responsible for the enhancement of phase transition speed of small VO 2 microcrystals. These findings not only enhance the understanding of VO 2 intrinsic properties but also contribute to the development of innovative electronic devices.« less

Controlling the Temperature and Speed of the Phase Transition of VO 2 Microcrystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoon, Joonseok; Kim, Howon; Chen, Xian

Here, we investigated the control of two important parameters of vanadium dioxide (VO 2 ) microcrystals, the phase transition temperature and speed, by varying microcrystal width. By using the reflectivity change between insulating and metallic phases, phase transition temperature is measured by optical microscopy. As the width of square cylinder-shaped microcrystals decreases from ~70 to ~1 μm, the phase transition temperature (67 °C for bulk) varied as much as 26.1 °C (19.7 °C) during heating (cooling). In addition, the propagation speed of phase boundary in the microcrystal, i.e., phase transition speed, is monitored at the onset of phase transition bymore » using the high-speed resistance measurement. The phase transition speed increases from 4.6 × 10 2 to 1.7 × 10 4 μm/s as the width decreases from ~50 to ~2 μm. While the statistical description for a heterogeneous nucleation process explains the size dependence on phase transition temperature of VO 2 , the increase of effective thermal exchange process is responsible for the enhancement of phase transition speed of small VO 2 microcrystals. These findings not only enhance the understanding of VO 2 intrinsic properties but also contribute to the development of innovative electronic devices.« less

Origin of phase transition in VO2

NASA Astrophysics Data System (ADS)

Basu, Raktima; Sardar, Manas; Dhara, Sandip

2018-04-01

Vanadium dioxide (VO2) exhibits a reversible first-order metal to insulator transition (MIT) along with a structural phase transition (SPT) from monoclinic M1 to rutile tetragonal R via another two intermediate phases of monoclinic M2 and triclinic T at a technologically important temperature of 340K. In the present work, besides synthesizing M1 phase of VO2, we also stabilized M2 and T phases at room temperature by introducing native defects in the system and observed an increase in transition temperature with increase in native defects. Raman spectroscopic measurements were carried out to confirm the pure VO2 phases. Since the MIT is accompanied by SPT in these systems, the origin of the phase transition is still under debate. The controversy between MIT and SPT, whether electron-phonon coupling or strong electron-electron correlation triggers the phase transition in VO2 is also resolved by examining the presence of intermediate phase M2 during phase transition.

Interstitial effects of B and Li on the magnetic phase transition and magnetocaloric effects in Gd2In alloy

NASA Astrophysics Data System (ADS)

Yang, Yang; Xie, Yigao; Zhou, Xiaoqian; Zhong, Hui; Jiang, Qingzheng; Ma, Shengcan; Zhong, Zhenchen; Cui, Weibin; Wang, Qiang

2018-05-01

Interstitial effects of B and Li on the phase transition and magnetocaloric effect in Gd2In alloys had been studied. The antiferromagnetic (AFM) - ferromagnetic (FM) phase transition was found to be of first-order nature while ferromagnetic - paramagnetic (PM) phase transition was of second-order nature in B- or Li-doped Gd2In alloys. AFM-FM phase transition temperature was increased while FM-PM phase transition was decreased with more doping concentrations. During AFM-FM phase transition, the slope of temperature-dependent critical field (μ0Hcr) was increased by increased doping amounts. The magnetic entropy changes under small field change were enhanced by B and Li addition, which showed the beneficial effects of B and Li additions.

Interactions between coherent twin boundaries and phase transition of iron under dynamic loading and unloading

NASA Astrophysics Data System (ADS)

Wang, Kun; Chen, Jun; Zhang, Xueyang; Zhu, Wenjun

2017-09-01

Phase transitions and deformation twins are constantly reported in many BCC metals under high pressure, whose interactions are of fundamental importance to understand the strengthening mechanism of these metals under extreme conditions. However, the interactions between twins and phase transition in BCC metals remain largely unexplored. In this work, interactions between coherent twin boundaries and α ↔ ɛ phase transition of iron are investigated using both non-equilibrium molecular dynamics simulations and the nudged elastic band method. Mechanisms of both twin-assisted phase transition and reverse phase transition are studied, and orientation relationships between BCC and HCP phases are found to be ⟨"separators="|11 1 ¯ ⟩ B C C||⟨"separators="|1 ¯2 1 ¯ 0 ⟩ H C P and ⟨"separators="|1 1 ¯ 0 ⟩ B C C||⟨"separators="|0001 ⟩ H C P for both cases. The twin boundary corresponds to {"separators="|10 1 ¯ 0 } H C P after the phase transition. It is amazing that the reverse transition seems to be able to "memorize" and recover the initial BCC twins. The memory would be partly lost when plastic slips take place in the HCP phase before the reverse transition. In the recovered initial BCC twins, three major twin spacings are observed, which are well explained in terms of energy barriers of transition from the HCP phase to the BCC twin. Besides, the variant selection rule of the twin assisted phase transition is also discussed. The results of present work could be expected to give some clues for producing ultra-fine grain structures in materials exhibiting martensitic phase transition.

How to quantify the transition phase during golf swing performance: Torsional load affects low back complaints during the transition phase.

PubMed

Sim, Taeyong; Choi, Ahnryul; Lee, Soeun; Mun, Joung Hwan

2017-10-01

The transition phase of a golf swing is considered to be a decisive instant required for a powerful swing. However, at the same time, the low back torsional loads during this phase can have a considerable effect on golf-related low back pain (LBP). Previous efforts to quantify the transition phase were hampered by problems with accuracy due to methodological limitations. In this study, vector-coding technique (VCT) method was proposed as a comprehensive methodology to quantify the precise transition phase and examine low back torsional load. Towards this end, transition phases were assessed using three different methods (VCT, lead hand speed and X-factor stretch) and compared; then, low back torsional load during the transition phase was examined. As a result, the importance of accurate transition phase quantification has been documented. The largest torsional loads were observed in healthy professional golfers (10.23 ± 1.69 N · kg -1 ), followed by professional golfers with a history of LBP (7.93 ± 1.79 N · kg -1 ), healthy amateur golfers (1.79 ± 1.05 N · kg -1 ) and amateur golfers with a history of LBP (0.99 ± 0.87 N · kg -1 ), which order was equal to that of the transition phase magnitudes of each group. These results indicate the relationship between the transition phase and LBP history and the dependency of the torsional load magnitude on the transition phase.

Trajectory Design for the Transiting Exoplanet Survey Satellite (TESS)

NASA Technical Reports Server (NTRS)

Dichmann, Donald J.; Parker, Joel; Williams, Trevor; Mendelsohn, Chad

2014-01-01

The Transiting Exoplanet Survey Satellite (TESS) is a National Aeronautics and Space Administration (NASA) mission launching in 2017. TESS will travel in a highly eccentric orbit around Earth, with initial perigee radius near 17 Earth radii (Re) and apogee radius near 59 Re. The orbit period is near 2:1 resonance with the Moon, with apogee nearly 90 degrees out-of-phase with the Moon, in a configuration that has been shown to be operationally stable. TESS will execute phasing loops followed by a lunar flyby, with a final maneuver to achieve 2:1 resonance with the Moon. The goals of a resonant orbit with long-term stability, short eclipses and limited oscillations of perigee present significant challenges to the trajectory design. To rapidly assess launch opportunities, we adapted the SWM76 launch window tool to assess the TESS mission constraints. To understand the long-term dynamics of such a resonant orbit in the Earth-Moon system we employed Dynamical Systems Theory in the Circular Restricted 3-Body Problem (CR3BP). For precise trajectory analysis we use a high-fidelity model and multiple shooting in the General Mission Analysis Tool (GMAT) to optimize the maneuver delta-V and meet mission constraints. Finally we describe how the techniques we have developed can be applied to missions with similar requirements.

Tuning the presence of dynamical phase transitions in a generalized XY spin chain.

PubMed

Divakaran, Uma; Sharma, Shraddha; Dutta, Amit

2016-05-01

We study an integrable spin chain with three spin interactions and the staggered field (λ) while the latter is quenched either slowly [in a linear fashion in time (t) as t/τ, where t goes from a large negative value to a large positive value and τ is the inverse rate of quenching] or suddenly. In the process, the system crosses quantum critical points and gapless phases. We address the question whether there exist nonanalyticities [known as dynamical phase transitions (DPTs)] in the subsequent real-time evolution of the state (reached following the quench) governed by the final time-independent Hamiltonian. In the case of sufficiently slow quenching (when τ exceeds a critical value τ_{1}), we show that DPTs, of the form similar to those occurring for quenching across an isolated critical point, can occur even when the system is slowly driven across more than one critical point and gapless phases. More interestingly, in the anisotropic situation we show that DPTs can completely disappear for some values of the anisotropy term (γ) and τ, thereby establishing the existence of boundaries in the (γ-τ) plane between the DPT and no-DPT regions in both isotropic and anisotropic cases. Our study therefore leads to a unique situation when DPTs may not occur even when an integrable model is slowly ramped across a QCP. On the other hand, considering sudden quenches from an initial value λ_{i} to a final value λ_{f}, we show that the condition for the presence of DPTs is governed by relations involving λ_{i},λ_{f}, and γ, and the spin chain must be swept across λ=0 for DPTs to occur.

Coupling of link- and node-ordering in the coevolving voter model.

PubMed

Toruniewska, J; Kułakowski, K; Suchecki, K; Hołyst, J A

2017-10-01

We consider the process of reaching the final state in the coevolving voter model. There is a coevolution of state dynamics, where a node can copy a state from a random neighbor with probabilty 1-p and link dynamics, where a node can rewire its link to another node of the same state with probability p. That exhibits an absorbing transition to a frozen phase above a critical value of rewiring probability. Our analytical and numerical studies show that in the active phase mean values of magnetization of nodes n and links m tend to the same value that depends on initial conditions. In a similar way mean degrees of spins up and spins down become equal. The system obeys a special statistical conservation law since a linear combination of both types magnetizations averaged over many realizations starting from the same initial conditions is a constant of motion: Λ≡(1-p)μm(t)+pn(t)=const., where μ is the mean node degree. The final mean magnetization of nodes and links in the active phase is proportional to Λ while the final density of active links is a square function of Λ. If the rewiring probability is above a critical value and the system separates into disconnected domains, then the values of nodes and links magnetizations are not the same and final mean degrees of spins up and spins down can be different.

Microscopic origin of black hole reentrant phase transitions

NASA Astrophysics Data System (ADS)

Zangeneh, M. Kord; Dehyadegari, A.; Sheykhi, A.; Mann, R. B.

2018-04-01

Understanding the microscopic behavior of the black hole ingredients has been one of the important challenges in black hole physics during the past decades. In order to shed some light on the microscopic structure of black holes, in this paper, we explore a recently observed phenomenon for black holes namely reentrant phase transition, by employing the Ruppeiner geometry. Interestingly enough, we observe two properties for the phase behavior of small black holes that leads to reentrant phase transition. They are correlated and they are of the interaction type. For the range of pressure in which the system underlies reentrant phase transition, it transits from the large black holes phase to the small one which possesses higher correlation than the other ranges of pressures. On the other hand, the type of interaction between small black holes near the large/small transition line differs for usual and reentrant phase transitions. Indeed, for the usual case, the dominant interaction is repulsive whereas for the reentrant case we encounter an attractive interaction. We show that in the reentrant phase transition case, the small black holes behave like a bosonic gas whereas in the usual phase transition case, they behave like a quantum anyon gas.

Modeling the solid-liquid phase transition in saturated triglycerides

NASA Astrophysics Data System (ADS)

Pink, David A.; Hanna, Charles B.; Sandt, Christophe; MacDonald, Adam J.; MacEachern, Ronald; Corkery, Robert; Rousseau, Dérick

2010-02-01

We investigated theoretically two competing published scenarios for the melting transition of the triglyceride trilaurin (TL): those of (1) Corkery et al. [Langmuir 23, 7241 (2007)], in which the average state of each TL molecule in the liquid phase is a discotic "Y" conformer whose three chains are dynamically twisted, with an average angle of ˜120° between them, and those of (2) Cebula et al. [J. Am. Oil Chem. Soc. 69, 130 (1992)], in which the liquid-state conformation of the TL molecule in the liquid phase is a nematic h∗-conformer whose three chains are in a modified "chair" conformation. We developed two competing models for the two scenarios, in which TL molecules are in a nematic compact-chair (or "h") conformation, with extended, possibly all-trans, chains at low-temperatures, and in either a Y conformation or an h∗ conformation in the liquid state at temperatures higher than the phase-transition temperature, T∗=319 K. We defined an h-Y model as a realization of the proposal of Corkery et al. [Langmuir 23, 7241 (2007)], and explored its predictions by mapping it onto an Ising model in a temperature-dependent field, performing a mean-field approximation, and calculating the transition enthalpy ΔH. We found that the most plausible realization of the h-Y model, as applied to the solid-liquid phase transition in TL, and likely to all saturated triglycerides, gave a value of ΔH in reasonable agreement with the experiment. We then defined an alternative h-h∗ model as a realization of the proposal of Cebula et al. [J. Am. Oil Chem. Soc. 69, 130 (1992)], in which the liquid phase exhibits an average symmetry breaking similar to an h conformation, but with twisted chains, to see whether it could describe the TL phase transition. The h-h∗ model gave a value of ΔH that was too small by a factor of ˜3-4. We also predicted the temperature dependence of the 1132 cm-1 Raman band for both models, and performed measurements of the ratios of three TL Raman bands in the temperature range of -20 °C≤T ≤90 °C. The experimental results were in accord with the predictions of the h-Y model and support the proposal of Corkery et al. [Langmuir 23, 7241 (2007)] that the liquid state is made up of molecules that are each, on average, in a Y conformation. Finally, we carried out computer simulations of minimal-model TLs in the liquid phase, and concluded that although the individual TL molecules are, on average, Y conformers, long-range discotic order is unlikely to exist.

Pressure-Induced Structural Phase Transition in CeNi: X-ray and Neutron Scattering Studies and First-Principles Calculations

DOE PAGES

Mirmelstein, A.; Podlesnyak, Andrey A.; dos Santos, Antonio M.; ...

2015-08-03

The pressure-induced structural phase transition in the intermediate-valence compound CeNi has been investigated by x-ray and neutron powder diffraction techniques. It is shown that the structure of the pressure-induced CeNi phase (phases) can be described in terms of the Pnma space group. Equations of state for CeNi on both sides of the phase transition are derived and an approximate P-T phase diagram is suggested for P<8 GPa and T<300 K. The observed Cmcm→Pnma structural transition is then analyzed using density functional theory calculations, which successfully reproduce the ground state volume, the phase transition pressure, and the volume collapse associated withmore » the phase transition.« less

Phased-array-fed antenna configuration study, volume 2

NASA Technical Reports Server (NTRS)

Sorbello, R. M.; Zaghloul, A. I.; Lee, B. S.; Siddiqi, S.; Geller, B. D.

1983-01-01

Increased capacity in future satellite systems can be achieved through antenna systems which provide multiplicity of frequency reuses at K sub a band. A number of antenna configurations which can provide multiple fixed spot beams and multiple independent spot scanning beams at 20 GHz are addressed. Each design incorporates a phased array with distributed MMIC amplifiers and phasesifters feeding a two reflector optical system. The tradeoffs required for the design of these systems and the corresponding performances are presented. Five final designs are studied. In so doing, a type of MMIC/waveguide transition is described, and measured results of the breadboard model are presented. Other hardware components developed are described. This includes a square orthomode transducer, a subarray fed with a beamforming network to measure scanning performance, and another subarray used to study mutual coupling considerations. Discussions of the advantages and disadvantages of the final design are included.

Complete analysis of ensemble inequivalence in the Blume-Emery-Griffiths model

NASA Astrophysics Data System (ADS)

Hovhannisyan, V. V.; Ananikian, N. S.; Campa, A.; Ruffo, S.

2017-12-01

We study inequivalence of canonical and microcanonical ensembles in the mean-field Blume-Emery-Griffiths model. This generalizes previous results obtained for the Blume-Capel model. The phase diagram strongly depends on the value of the biquadratic exchange interaction K , the additional feature present in the Blume-Emery-Griffiths model. At small values of K , as for the Blume-Capel model, lines of first- and second-order phase transitions between a ferromagnetic and a paramagnetic phase are present, separated by a tricritical point whose location is different in the two ensembles. At higher values of K the phase diagram changes substantially, with the appearance of a triple point in the canonical ensemble, which does not find any correspondence in the microcanonical ensemble. Moreover, one of the first-order lines that starts from the triple point ends in a critical point, whose position in the phase diagram is different in the two ensembles. This line separates two paramagnetic phases characterized by a different value of the quadrupole moment. These features were not previously studied for other models and substantially enrich the landscape of ensemble inequivalence, identifying new aspects that had been discussed in a classification of phase transitions based on singularity theory. Finally, we discuss ergodicity breaking, which is highlighted by the presence of gaps in the accessible values of magnetization at low energies: it also displays new interesting patterns that are not present in the Blume-Capel model.

Phenomenological description of depoling current in Pb0.99Nb0.02(Zr0.95Ti0.05)0.98O3 ferroelectric ceramics under shock wave compression: Relaxation model

NASA Astrophysics Data System (ADS)

Jiang, Dongdong; Du, Jinmei; Gu, Yan; Feng, Yujun

2012-05-01

By assuming a relaxation process for depolarization associated with the ferroelectric (FE) to antiferroelectric (AFE) phase transition in Pb0.99Nb0.02(Zr0.95Ti0.05)0.98O3 ferroelectric ceramics under shock wave compression, we build a new model for the depoling current, which is different from both the traditional constant current source (CCS) model and the phase transition kinetics (PTK) model. The characteristic relaxation time and new-equilibrated polarization are dependent on both the shock pressure and electric field. After incorporating a Maxwell s equation, the relaxation model developed applies to all the depoling currents under short-circuit condition and high-impedance condition. Influences of shock pressure, load resistance, dielectric property, and electrical conductivity on the depoling current are also discussed. The relaxation model gives a good description about the suppressing effect of the self-generated electric field on the FE-to-AFE phase transition at low shock pressures, which cannot be described by the traditional models. After incorporating a time- and electric-field-dependent repolarization, this model predicts that the high-impedance current eventually becomes higher than the short-circuit current, which is consistent with the experimental results in the literature. Finally, we make the comparison between our relaxation model and the traditional CCS model and PTK model.

Computational studies of thermal and quantum phase transitions approached through non-equilibrium quenching

NASA Astrophysics Data System (ADS)

Liu, Cheng-Wei

Phase transitions and their associated critical phenomena are of fundamental importance and play a crucial role in the development of statistical physics for both classical and quantum systems. Phase transitions embody diverse aspects of physics and also have numerous applications outside physics, e.g., in chemistry, biology, and combinatorial optimization problems in computer science. Many problems can be reduced to a system consisting of a large number of interacting agents, which under some circumstances (e.g., changes of external parameters) exhibit collective behavior; this type of scenario also underlies phase transitions. The theoretical understanding of equilibrium phase transitions was put on a solid footing with the establishment of the renormalization group. In contrast, non-equilibrium phase transition are relatively less understood and currently a very active research topic. One important milestone here is the Kibble-Zurek (KZ) mechanism, which provides a useful framework for describing a system with a transition point approached through a non-equilibrium quench process. I developed two efficient Monte Carlo techniques for studying phase transitions, one is for classical phase transition and the other is for quantum phase transitions, both are under the framework of KZ scaling. For classical phase transition, I develop a non-equilibrium quench (NEQ) simulation that can completely avoid the critical slowing down problem. For quantum phase transitions, I develop a new algorithm, named quasi-adiabatic quantum Monte Carlo (QAQMC) algorithm for studying quantum quenches. I demonstrate the utility of QAQMC quantum Ising model and obtain high-precision results at the transition point, in particular showing generalized dynamic scaling in the quantum system. To further extend the methods, I study more complex systems such as spin-glasses and random graphs. The techniques allow us to investigate the problems efficiently. From the classical perspective, using the NEQ approach I verify the universality class of the 3D Ising spin-glasses. I also investigate the random 3-regular graphs in terms of both classical and quantum phase transitions. I demonstrate that under this simulation scheme, one can extract information associated with the classical and quantum spin-glass transitions without any knowledge prior to the simulation.

Probing Photoinduced Structural Phase Transitions by Fast or Ultra-Fast Time-Resolved X-Ray Diffraction

NASA Astrophysics Data System (ADS)

Cailleau, Hervé Collet, Eric; Buron-Le Cointe, Marylise; Lemée-Cailleau, Marie-Hélène Koshihara, Shin-Ya

A new frontier in the field of structural science is the emergence of the fast and ultra-fast X-ray science. Recent developments in time-resolved X-ray diffraction promise direct access to the dynamics of electronic, atomic and molecular motions in condensed matter triggered by a pulsed laser irradiation, i.e. to record "molecular movies" during the transformation of matter initiated by light pulse. These laser pump and X-ray probe techniques now provide an outstanding opportunity for the direct observation of a photoinduced structural phase transition as it takes place. The use of X-ray short-pulse of about 100ps around third-generation synchrotron sources allows structural investigations of fast photoinduced processes. Other new X-ray sources, such as laser-produced plasma ones, generate ultra-short pulses down to 100 fs. This opens the way to femtosecond X-ray crystallography, but with rather low X-ray intensities and more limited experimental possibilities at present. However this new ultra-fast science rapidly progresses around these sources and new large-scale projects exist. It is the aim of this contribution to overview the state of art and the perspectives of fast and ultra-fast X-ray scattering techniques to study photoinduced phase transitions (here, the word ultra-fast is used for sub-picosecond time resolution). In particular we would like to largely present the contribution of crystallographic methods in comparison with optical methods, such as pump-probe reflectivity measurements, the reader being not necessary familiar with X-ray scattering. Thus we want to present which type of physical information can be obtained from the positions of the Bragg peaks, their intensity and their shape, as well as from the diffuse scattering beyond Bragg peaks. An important physical feature is to take into consideration the difference in nature between a photoinduced phase transition and conventional homogeneous photoinduced chemical or biochemical processes where molecules transform in an independent way each other. Actually the photoinduced phase transition with the establishment of the new electronic and structural oscopic order is preceded by precursor co-operative phenomena due to the formation of nano-scale correlated objects. These are the counterpart of pre-transitional fluctuations at thermal equilibrium which take place above the transition temperature (short range order preceding long range one). Moreover ultra-fast X-ray scattering will play a central role within the fascinating field of manipulating coherence, for instance to directly observe coherent atomic motions induced by a light pulse, such as optical phonons. In the first part of this contribution we present what experimental features are accessible by X-ray scattering to describe the physical picture for a photoinduced structural phase transition. The second part shows how a time-resolved X-ray scattering experiment can be performed with regards to the different pulsed X-ray sources. The first time-resolved X-ray diffraction experiments on photoinduced phase transitions are described and discussed in the third part. Finally some challenges for future are briefly indicated in the conclusion.

Temperature-Controlled High-Speed AFM: Real-Time Observation of Ripple Phase Transitions.

PubMed

Takahashi, Hirohide; Miyagi, Atsushi; Redondo-Morata, Lorena; Scheuring, Simon

2016-11-01

With nanometer lateral and Angstrom vertical resolution, atomic force microscopy (AFM) has contributed unique data improving the understanding of lipid bilayers. Lipid bilayers are found in several different temperature-dependent states, termed phases; the main phases are solid and fluid phases. The transition temperature between solid and fluid phases is lipid composition specific. Under certain conditions some lipid bilayers adopt a so-called ripple phase, a structure where solid and fluid phase domains alternate with constant periodicity. Because of its narrow regime of existence and heterogeneity ripple phase and its transition dynamics remain poorly understood. Here, a temperature control device to high-speed atomic force microscopy (HS-AFM) to observe dynamics of phase transition from ripple phase to fluid phase reversibly in real time is developed and integrated. Based on HS-AFM imaging, the phase transition processes from ripple phase to fluid phase and from ripple phase to metastable ripple phase to fluid phase could be reversibly, phenomenologically, and quantitatively studied. The results here show phase transition hysteresis in fast cooling and heating processes, while both melting and condensation occur at 24.15 °C in quasi-steady state situation. A second metastable ripple phase with larger periodicity is formed at the ripple phase to fluid phase transition when the buffer contains Ca 2+ . The presented temperature-controlled HS-AFM is a new unique experimental system to observe dynamics of temperature-sensitive processes at the nanoscopic level. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Method for identifying and probing phase transitions in materials

DOEpatents

Asay, Blaine W.; Henson, Bryan F.; Sander, Robert K.; Robinson, Jeanne M.; Son, Steven F.; Dickson, Peter M.

2002-01-01

The present invention includes a method for identifying and probing phase transitions in materials. A polymorphic material capable of existing in at least one non-centrosymmetric phase is interrogated with a beam of laser light at a chosen wavelength and frequency. A phase transition is induced in the material while it is interrogated. The intensity of light scattered by the material and having a wavelength equal to one half the wavelength of the interrogating laser light is detected. If the phase transition results in the production of a non-centrosymmetric phase, the intensity of this scattered light increases; if the phase transition results in the disappearance of a non-centrosymmetric phase, the intensity of this scattered light decreases.

Static and Dynamic Properties of Ferroelectric Thin Film Memories.

NASA Astrophysics Data System (ADS)

Duiker, Hendrik Matthew

Several properties of ferroelectric thin-film memories have been modeled. First, it has been observed experimentally that the bulk phase KNO_3 has a first-order phase transition, and that the transition temperature of KNO_3 thin-films increases as the thickness of the film is decreased. A Landau theory of first-order phase transitions in bulk systems has been generalized by adding surface terms to the free energy expansion to account for these transition properties. The model successfully describes the observed transition properties and predicts the existence of films in which the surfaces are ordered at temperatures higher than the bulk transition temperature. Second, the Avrami model of polarization-reversal kinetics has been modified to describe the following cases: ferroelectrics composed of a large number of small grains; ferroelectric thin-films in which nucleation occurs at the surfaces, not in the bulk; ferroelectrics in which long-range dipolar interactions significantly affect the nucleation rate; and non-square wave switching pulses. The models were verified by applying them to the results of two-dimensional Ising model simulations. It was shown that the models allow the possibility of directly obtaining microscopic parameters, such as the nucleation rate and domain wall velocity, from bulk measurements. Finally, a model describing the fatigue of ferroelectric memories has been developed. As a ferroelectric memory fatigues the spontaneous polarization per unit volume decreases, the switching time decreases, and eventually the memory "shorts out" and becomes conducting. The model assumes the following: during each polarization reversal the film undergoes, every unit cell in the film has a chance of "degrading" and thus losing an ion. Degraded cells no longer contribute to the polarization. The ions are allowed to diffuse to the surfaces of the film and form, with other ions, conducting dendrites which grow into the bulk of the film. Computer simulations performed on a two dimensional lattice with the above model successfully described the phenomena observed during the fatigue of PZT and other types of ferroelectric thin-film memories films.

Spontaneous Symmetry Breaking of Domain Walls in Phase-Competing Regions

NASA Astrophysics Data System (ADS)

Ishizuka, Hiroaki; Yamada, Yasusada; Nagaosa, Naoto

2018-05-01

In this study, we investigate the nature of domain walls in an ordered phase in the phase-competing region of two Ising-type order parameters. We consider a two-component ϕ4 theory and show that the domain wall of the ground-state (primary) order parameter shows a second-order phase transition associated with the secondary order parameter of the competing phase; the effective theory of the phase transition is given by the Landau theory of an Ising-type phase transition. We find that the phase boundary of this phase transition is different from the spinodal line of the competing order. The phase transition is detected experimentally by the divergence of the susceptibility corresponding to the secondary order when the temperature is quenched to introduce the domain walls.

The infinite limit as an eliminable approximation for phase transitions

NASA Astrophysics Data System (ADS)

Ardourel, Vincent

2018-05-01

It is generally claimed that infinite idealizations are required for explaining phase transitions within statistical mechanics (e.g. Batterman 2011). Nevertheless, Menon and Callender (2013) have outlined theoretical approaches that describe phase transitions without using the infinite limit. This paper closely investigates one of these approaches, which consists of studying the complex zeros of the partition function (Borrmann et al., 2000). Based on this theory, I argue for the plausibility for eliminating the infinite limit for studying phase transitions. I offer a new account for phase transitions in finite systems, and I argue for the use of the infinite limit as an approximation for studying phase transitions in large systems.

Rewriting the Central European Early Bronze Age Chronology: Evidence from Large-Scale Radiocarbon Dating

PubMed Central

Knipper, Corina; Friedrich, Ronny; Kromer, Bernd; Lindauer, Susanne; Radosavljević, Jelena; Wittenborn, Fabian; Krause, Johannes

2015-01-01

The transition from the Neolithic to the Early Bronze Age in Central Europe has often been considered as a supra-regional uniform process, which led to the growing mastery of the new bronze technology. Since the 1920s, archaeologists have divided the Early Bronze Age into two chronological phases (Bronze A1 and A2), which were also seen as stages of technical progress. On the basis of the early radiocarbon dates from the cemetery of Singen, southern Germany, the beginning of the Early Bronze Age in Central Europe was originally dated around 2300/2200 BC and the transition to more complex casting techniques (i.e., Bronze A2) around 2000 BC. On the basis of 140 newly radiocarbon dated human remains from Final Neolithic, Early and Middle Bronze Age cemeteries south of Augsburg (Bavaria) and a re-dating of ten graves from the cemetery of Singen, we propose a significantly different dating range, which forces us to re-think the traditional relative and absolute chronologies as well as the narrative of technical development. We are now able to date the beginning of the Early Bronze Age to around 2150 BC and its end to around 1700 BC. Moreover, there is no transition between Bronze (Bz) A1 and Bronze (Bz) A2, but a complete overlap between the type objects of the two phases from 1900–1700 BC. We thus present a revised chronology of the assumed diagnostic type objects of the Early Bronze Age and recommend a radiocarbon-based view on the development of the material culture. Finally, we propose that the traditional phases Bz A1 and Bz A2 do not represent a chronological sequence, but regionally different social phenomena connected to the willingness of local actors to appropriate the new bronze technology. PMID:26488413

Convection Models for Ice-Water System: Dynamical Investigation of Phase Transition

NASA Astrophysics Data System (ADS)

Allu Peddinti, D.; McNamara, A. K.

2012-12-01

Ever since planetary missions of Voyager and Galileo revealed a dynamically altered surface of the icy moon Europa, a possible subsurface ocean under an icy shell has been speculated and surface features have been interpreted from an interior dynamics perspective. The physics of convection in a two phase water-ice system is governed by a wide set of physical parameters that include melting viscosity of ice, the variation of viscosity due to pressure and temperature, temperature contrast across and tidal heating within the system, and the evolving thickness of each layer. Due to the extreme viscosity contrast between liquid water and solid ice, it is not feasible to model the entire system to study convection. However, using a low-viscosity proxy (higher viscosity than the liquid water but much lower than solid ice) for the liquid phase provides a convenient approximation of the system, and allows for a relatively realistic representation of convection within the ice layer while also providing a self-consistent ice layer thickness that is a function of the thermal state of the system. In order to apply this method appropriately, we carefully examine the upper bound of viscosity required for the low-viscosity proxy to adequately represent the liquid phase. We identify upper bounds on the viscosity of the proxy liquid such that convective dynamics of the ice are not affected by further reductions of viscosity. Furthermore, we investigate how the temperature contrast across the system and viscosity contrast between liquid and ice control ice layer thickness. We also investigate ice shell thickening as a function of cooling, particularly how viscosity affects the conduction-to-convection transition within the ice shell. Finally, we present initial results that investigate the effects that latent heat of fusion (due to the ice-water phase transition) has on ice convection.

Transformation kinetics for the shock wave induced phase transition in cadmium sulfide crystals

NASA Astrophysics Data System (ADS)

Knudson, M. D.; Gupta, Y. M.

2002-06-01

Initial stage kinetics of the cadmium sulfide (CdS) phase transition was investigated using picosecond time-resolved electronic spectroscopy in plate-impact shock wave experiments. Real-time changes in the electronic spectra were observed, with 100 ps time resolution, in CdS single crystals shocked along a and c axes to stresses ranging between 35 and 90 kbar, which is above the phase-transition threshold stress of approximately 30 kbar. Significant difference in the transformation kinetics was observed for the two crystal orientations. At sufficiently high instantaneous stress, above approximately 60 to 70 kbar for a axis and 50 kbar for c axis, transformation to a metastable state appears to reach a constant state within the 100 ps time resolution. At lower instantaneous stresses, an incubation period on the order of several nanoseconds is observed prior to the onset of electronic changes that mark the onset of the structural change. The subsequent increase in absorbance was quite rapid, with a constant state being reached within the first few nanoseconds after the onset of the structural changes. These results suggest that the nucleation process determines the transformation rate. This insight into transformation kinetics, along with the transformation mechanism obtained from the high-stress experiments, was used to develop a phenomenological model, incorporating ideas of nucleation and growth in martensitic transformations, to simulate the time-dependent extinction of light observed in our experiments. The calculational results incorporating both extinction due to light absorption by the daughter phase volumes and scattering of light by small volumes of the daughter phase were in good agreement with experimental observations. Finally, the orientational differences observed in the transformation kinetics were interpreted in terms of the differences in the elastic-plastic response for the two orientations.

fcc-bcc phase transition in plasma crystals using time-resolved measurements

NASA Astrophysics Data System (ADS)

Dietz, C.; Bergert, R.; Steinmüller, B.; Kretschmer, M.; Mitic, S.; Thoma, M. H.

2018-04-01

Three-dimensional plasma crystals are often described as Yukawa systems for which a phase transition between the crystal structures fcc and bcc has been predicted. However, experimental investigations of this transition are missing. We use a fast scanning video camera to record the crystallization process of 70 000 microparticles and investigate the existence of the fcc-bcc phase transition at neutral gas pressures of 30, 40, and 50 Pa. To analyze the crystal, robust phase diagrams with the help of a machine learning algorithm are calculated. This work shows that the phase transition can be investigated experimentally and makes a comparison with numerical results of Yukawa systems. The phase transition is analyzed in dependence on the screening parameter and structural order. We suggest that the transition is an effect of gravitational compression of the plasma crystal. Experimental investigations of the fcc-bcc phase transition will provide an opportunity to estimate the coupling strength Γ by comparison with numerical results of Yukawa systems.

Learning phase transitions by confusion

NASA Astrophysics Data System (ADS)

van Nieuwenburg, Evert P. L.; Liu, Ye-Hua; Huber, Sebastian D.

2017-02-01

Classifying phases of matter is key to our understanding of many problems in physics. For quantum-mechanical systems in particular, the task can be daunting due to the exponentially large Hilbert space. With modern computing power and access to ever-larger data sets, classification problems are now routinely solved using machine-learning techniques. Here, we propose a neural-network approach to finding phase transitions, based on the performance of a neural network after it is trained with data that are deliberately labelled incorrectly. We demonstrate the success of this method on the topological phase transition in the Kitaev chain, the thermal phase transition in the classical Ising model, and the many-body-localization transition in a disordered quantum spin chain. Our method does not depend on order parameters, knowledge of the topological content of the phases, or any other specifics of the transition at hand. It therefore paves the way to the development of a generic tool for identifying unexplored phase transitions.

Two kinds of phase transitions in a voting model

NASA Astrophysics Data System (ADS)

Hisakado, M.; Mori, S.

2012-08-01

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

Detecting phase transitions in a neural network and its application to classification of syndromes in traditional Chinese medicine

NASA Astrophysics Data System (ADS)

Chen, J.; Xi, G.; Wang, W.

2008-02-01

Detecting phase transitions in neural networks (determined or random) presents a challenging subject for phase transitions play a key role in human brain activity. In this paper, we detect numerically phase transitions in two types of random neural network(RNN) under proper parameters.

Universal phase transition in community detectability under a stochastic block model.

PubMed

Chen, Pin-Yu; Hero, Alfred O

2015-03-01

We prove the existence of an asymptotic phase-transition threshold on community detectability for the spectral modularity method [M. E. J. Newman, Phys. Rev. E 74, 036104 (2006) and Proc. Natl. Acad. Sci. (USA) 103, 8577 (2006)] under a stochastic block model. The phase transition on community detectability occurs as the intercommunity edge connection probability p grows. This phase transition separates a subcritical regime of small p, where modularity-based community detection successfully identifies the communities, from a supercritical regime of large p where successful community detection is impossible. We show that, as the community sizes become large, the asymptotic phase-transition threshold p* is equal to √[p1p2], where pi(i=1,2) is the within-community edge connection probability. Thus the phase-transition threshold is universal in the sense that it does not depend on the ratio of community sizes. The universal phase-transition phenomenon is validated by simulations for moderately sized communities. Using the derived expression for the phase-transition threshold, we propose an empirical method for estimating this threshold from real-world data.

Vortex phase diagram of the layered superconductor Cu0.03TaS2 for H \\parallel c

NASA Astrophysics Data System (ADS)

Zhu, X. D.; Lu, J. C.; Sun, Y. P.; Pi, L.; Qu, Z.; Ling, L. S.; Yang, Z. R.; Zhang, Y. H.

2010-12-01

The magnetization and anisotropic electrical transport properties have been measured in high quality Cu0.03TaS2 single crystals. A pronounced peak effect has been observed, indicating that high quality and homogeneity are vital to the peak effect. A kink has been observed in the magnetic field, H, dependence of the in-plane resistivity ρab for H\\parallel c , which corresponds to a transition from activated to diffusive behavior of the vortex liquid phase. In the diffusive regime of the vortex liquid phase, the in-plane resistivity ρab is proportional to H0.3, which does not follow the Bardeen-Stephen law for free flux flow. Finally, a simplified vortex phase diagram of Cu0.03TaS2 for H \\parallel c is given.

Materials science of the gel to fluid phase transition in a supported phospholipid bilayer.

PubMed

Xie, Anne Feng; Yamada, Ryo; Gewirth, Andrew A; Granick, Steve

2002-12-09

We report the results of in situ AFM measurements examining the phase transition of bilayers formed from the zwitterionic phospholipid, DMPC, 1,2-dimyristoyl-sn-glycero-3-phosphocholine, supported on mica. The images show that the fluid to gel phase transition process features substantial tearing of the bilayer due to the density change between the two phases. The gel to fluid transition is strongly affected by the resultant stress introduced into the gel phase, which changes the degree of cooperativity, the shape of developing fluid phase regions, and the course of the transition.

2νββ decay of 76Ge into excited states with GERDA phase I

NASA Astrophysics Data System (ADS)

GERDA Collaboration; Agostini, M.; Allardt, M.; Bakalyarov, A. M.; Balata, M.; Barabanov, I.; Barros, N.; Baudis, L.; Bauer, C.; Becerici-Schmidt, N.; Bellotti, E.; Belogurov, S.; Belyaev, S. T.; Benato, G.; Bettini, A.; Bezrukov, L.; Bode, T.; Borowicz, D.; Brudanin, V.; Brugnera, R.; Budjáš, D.; Caldwell, A.; Cattadori, C.; Chernogorov, A.; D'Andrea, V.; Demidova, E. V.; di Vacri, A.; Domula, A.; Doroshkevich, E.; Egorov, V.; Falkenstein, R.; Fedorova, O.; Freund, K.; Frodyma, N.; Gangapshev, A.; Garfagnini, A.; Gooch, C.; Grabmayr, P.; Gurentsov, V.; Gusev, K.; Hegai, A.; Heisel, M.; Hemmer, S.; Heusser, G.; Hofmann, W.; Hult, M.; Inzhechik, L. V.; Janicskó Csáthy, J.; Jochum, J.; Junker, M.; Kazalov, V.; Kihm, T.; Kirpichnikov, I. V.; Kirsch, A.; Klimenko, A.; Knöpfle, K. T.; Kochetov, O.; Kornoukhov, V. N.; Kuzminov, V. V.; Laubenstein, M.; Lazzaro, A.; Lebedev, V. I.; Lehnert, B.; Liao, H. Y.; Lindner, M.; Lippi, I.; Lubashevskiy, A.; Lubsandorzhiev, B.; Lutter, G.; Macolino, C.; Majorovits, B.; Maneschg, W.; Medinaceli, E.; Mi, Y.; Misiaszek, M.; Moseev, P.; Nemchenok, I.; Palioselitis, D.; Panas, K.; Pandola, L.; Pelczar, K.; Pullia, A.; Riboldi, S.; Rumyantseva, N.; Sada, C.; Salathe, M.; Schmitt, C.; Schneider, B.; Schreiner, J.; Schulz, O.; Schwingenheuer, B.; Schönert, S.; Schütz, A.-K.; Selivanenko, O.; Shirchenko, M.; Simgen, H.; Smolnikov, A.; Stanco, L.; Stepaniuk, M.; Ur, C. A.; Vanhoefer, L.; Vasenko, A. A.; Veresnikova, A.; von Sturm, K.; Wagner, V.; Walter, M.; Wegmann, A.; Wester, T.; Wilsenach, H.; Wojcik, M.; Yanovich, E.; Zavarise, P.; Zhitnikov, I.; Zhukov, S. V.; Zinatulina, D.; Zuber, K.; Zuzel, G.

2015-11-01

Two neutrino double beta decay of {}76{Ge} to excited states of {}76{Se} has been studied using data from Phase I of the GERDA experiment. An array composed of up to 14 germanium detectors including detectors that have been isotopically enriched in {}76{Ge} was deployed in liquid argon. The analysis of various possible transitions to excited final states is based on coincidence events between pairs of detectors where a de-excitation γ ray is detected in one detector and the two electrons in the other. No signal has been observed and an event counting profile likelihood analysis has been used to determine Frequentist 90% C.L. bounds for three transitions: {0}{{g}.{{s}}.}+-{2}1+: {T}1/22ν \\gt 1.6× {10}23 yr, {0}{{g}.{{s}}.}+-{0}1+: {T}1/22ν \\gt 3.7× {10}23 yr and {0}{{g}.{{s}}.}+-{2}2+: {T}1/22ν \\gt 2.3× {10}23 yr. These bounds are more than two orders of magnitude larger than those reported previously. Bayesian 90% credibility bounds were extracted and used to exclude several models for the {0}{{g}.{{s}}.}+-{0}1+ transition.

Growth and characterization of amorphous selenium: An exploration into the glass transition temperature

NASA Astrophysics Data System (ADS)

Schaefers, Justin Kyle

The glass transition temperature (Tg) of alpha-Se films and its correlation to percent As inclusion was explored using such characterization tools as Raman spectroscopy, spectroscopic ellipsometry, atomic force microscopy, and microphotography. The films were deposited under ultra high vacuum conditions in a dedicated molecular beam epitaxy chamber onto semi-insulating GaAs (100) substrates. After deposition, the samples were thermally annealed in 5°C increments until they began to crystallize, as evident in the characterizations performed. It was discovered that not only is Tg directly related to percent As, but that the film thickness is as well. Higher than previously reported values, Tg was found to be 80°C for 0% As, 110°C for 2% As, and 125°C for 5% As. In addition, instead of producing polycrystalline films containing all the allotropes of Se as a result of the annealing process, films of the trigonal allotrope of crystalline selenium (t-Se) were produced through the annealing process. The transition from the amorphous phase to the trigonal phase has never been reported prior to this dissertation. Finally, it was also discovered that the MBE deposition of the films is truly epitaxial in nature.

Translating Thermal Response of Triblock Copolymer Assemblies in Dilute Solution to Macroscopic Gelation and Phase Separation

DOE PAGES

Sun, Zhe; Tian, Ye; Hom, Wendy L.; ...

2016-12-28

The thermal response of semi-dilute solutions (5 w/w%) of two amphiphilic thermoresponsive poly(ethylene oxide)-b-poly(N,N-diethylacrylamide)-b-poly(N,N-dibutylacrylamide) (PEO 45-PDEAm x-PDBAm 12) triblock copolymers, which differ only in the size of the central responsive block, in water was examined in this paper. Aqueous PEO45-PDEAm41-PDBAm12 solutions, which undergo a thermally induced sphere-to-worm transition in dilute solution, were found to reversibly form soft (G'≈10 Pa) free-standing physical gels after 10 min at 55 °C. PEO 45-PDEAm 89-PDBAm 12 copolymer solutions, which undergo a thermally induced transition from spheres to large compound micelles (LCM) in dilute solution, underwent phase separation after heating at 55 °C for 10more » min owing to sedimentation of LCMs. The reversibility of LCM formation was investigated as a non-specific method for removal of a water-soluble dye from aqueous solution. Finally, the composition and size of the central responsive block in these polymers dictate the microscopic and macroscopic response of the polymer solutions as well as the rates of transition between assemblies.« less

Isothermal lipid phase transitions.

PubMed

Cevc, G

1991-03-01

In liotropic lipid systems phase transitions can be induced isothermally by changing the solvent concentration or composition; alternatively, lipid composition can be modified by (bio)chemical means. The probability for isothermal phase transitions increases with the decreasing transition entropy; it is proportional to the magnitude of the transition temperature shift caused by transformation-inducing system variation. Manipulations causing large thermodynamic effects, such as lipid (de)hydration, binding of protons or divalent ions and macromolecular adsorption, but also close bilayer approach are, therefore, likely to cause structural lipid change(s) at a constant temperature. Net lipid charges enhance the membrane susceptibility to salt-induced isothermal phase transitions; a large proportion of this effect is due to the bilayer dehydration, however, rather than being a consequence of the decreased Coulombic electrostatic interactions. Membrane propensity for isothermal phase transitions, consequently, always increases with the hydrophilicity of the lipid heads, as well as with the desaturation and shortening of the lipid chains. Upon a phase change at a constant temperature, some of the interfacially bound solutes (e.g. protons or calcium) are released in the solution. Membrane permeability and fusogenicity simultaneously increase. In mixed systems, isothermal phase transitions, moreover, may result in lateral phase separation. All this opens up ways for the involvement of isothermal phase transitions in the regulation of biological processes.

Ground State Structure Search of Fluoroperovskites through Lattice Instability

NASA Astrophysics Data System (ADS)

Mei, W. N.; Hatch, D. M.; Stokes, H. T.; Boyer, L. L.

2002-03-01

Many Fluoroperovskite are capable of a ferroelectric transition from a cubic to a tetragonal and even lower-symmetry structures. In this work, we studied systematically the structural phase transitions of several fluoroperovskites ABF3 where A= Na, K and B= Ca, Sr. Combining the Self-Consistent Atom Deformation (SCAD) -- a density-functional method using localized densities -- and the frozen-phonon method which utilizes the isotropy subgroup operations, we calculate the phonon energies and find instabilities which lower the symmetry of the crystal. Following this scheme, we work down to lower symmetry structures until we no longer find instabilities. The final results are used to compare with those obtained from molecular dynamics based on Gordon-Kim potentials.

Ultrafast Dynamics in Vanadium Dioxide: Separating Spatially Segregated Mixed Phase Dynamics in the Time-domain

NASA Astrophysics Data System (ADS)

Hilton, David

2011-10-01

In correlated electronic systems, observed electronic and structural behavior results from the complex interplay between multiple, sometimes competing degrees-of- freedom. One such material used to study insulator-to-metal transitions is vanadium dioxide, which undergoes a phase transition from a monoclinic-insulating phase to a rutile-metallic phase when the sample is heated to 340 K. The major open question with this material is the relative influence of this structural phase transition (Peirels transition) and the effects of electronic correlations (Mott transition) on the observed insulator-to-metal transition. Answers to these major questions are complicated by vanadium dioxide's sensitivity to perturbations in the chemical structure in VO2. For example, related VxOy oxides with nearly a 2:1 ratio do not demonstrate the insulator-to- metal transition, while recent work has demonstrated that W:VO2 has demonstrated a tunable transition temperature controllable with tungsten doping. All of these preexisting results suggest that the observed electronic properties are exquisitely sensitive to the sample disorder. Using ultrafast spectroscopic techniques, it is now possible to impulsively excite this transition and investigate the photoinduced counterpart to this thermal phase transition in a strongly nonequilibrium regime. I will discuss our recent results studying the terahertz-frequency conductivity dynamics of this photoinduced phase transition in the poorly understood near threshold temperature range. We find a dramatic softening of the transition near the critical temperature, which results primarily from the mixed phase coexistence near the transition temperature. To directly study this mixed phase behavior, we directly study the nucleation and growth rates of the metallic phase in the parent insulator using non-degenerate optical pump-probe spectroscopy. These experiments measure, in the time- domain, the coexistent phase separation in VO2 (spatially separated insulator and metal islands) and, more importantly, their dynamic evolution in response to optical excitation.

The role of upper mantle mineral phase transitions on the current structure of large-scale Earth's mantle convection.

NASA Astrophysics Data System (ADS)

Thoraval, C.

2017-12-01

Describing the large-scale structures of mantle convection and quantifying the mass transfer between upper and lower mantle request to account for the role played by mineral phase transitions in the transition zone. We build a density distribution within the Earth mantle from velocity anomalies described by global seismic tomographic models. The density distribution includes thermal anomalies and topographies of the phase transitions at depths of 410 and 660 km. We compute the flow driven by this density distribution using a 3D spherical circulation model, which account for depth-dependent viscosity. The dynamic topographies at the surface and at the CMB and the geoid are calculated as well. Within the range of viscosity profiles allowing for a satisfying restitution of the long wavelength geoid, we perform a parametric study to decipher the role of the characteristics of phase diagrams - mainly the Clapeyron's slopes - and of the kinetics of phase transitions, which may modify phase transition topographies. Indeed, when a phase transition is delayed, the boundary between two mineral phases is both dragged by the flow and interfere with it. The results are compared to recent estimations of surface dynamic topography and to the phase transition topographies as revealed by seismic studies. The consequences are then discussed in terms of structure of mantle flow. Comparisons between various tomographic models allow us to enlighten the most robust features. At last, the role played by the phase transitions on the lateral variations of mass transfer between upper and lower mantle are quantified by comparison to cases with no phase transitions and confronted to regional tomographic models, which reflect the variability of the behaviors of the descending slabs in the transition zone.

Understanding the structure–property relationships of the ferroelectric to relaxor transition of the (1-x)BaTiO3–(x)BiInO3 lead-free piezoelectric system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manjón-Sanz, Alicia; Berger, Caitlin; Dolgos, Michelle R.

A structural and electromechanical investigation has been performed on (1-x)BaTiO 3–(x)BiInO 3 in the region 0.03 ≤ x ≤ 0.12. A gradual structural phase transition has been observed where the structure changes from tetragonal (P4mm) and passes through two regions of coexisting phases: (1) P4mm + R3m in the range 0.03 ≤ x ≤ 0.075 and (2) Pmmore » $$\\bar{3}$$m + R3m for 0.10 ≤ x ≤ 0.12. The properties also transition from ferroelectric (x ≤ 0.03) to relaxor ferroelectric (x ≥ 0.05) as the dielectric permittivity maximum becomes temperature and frequency dependent. This transition was also confirmed via polarization-electric field measurements as well as strain-electric field measurements. At the critical composition of x = 0.065, a moderate strain of ~0.104% and an effective piezoelectric coefficient (d$$*\\atop{33}$$) of 260 pm/V were observed. Finally, the original purpose of this study was to demonstrate the polarization extension mechanism as predicted in the literature, but due to the ferroelectric to relaxor transition, this mechanism was not found to be present in this system. However, this demonstrates that BaTiO 3-based lead-free ceramics could be modified to obtain enhanced electromechanical properties for actuator applications.« less

Understanding the structure–property relationships of the ferroelectric to relaxor transition of the (1-x)BaTiO3–(x)BiInO3 lead-free piezoelectric system

DOE PAGES

Manjón-Sanz, Alicia; Berger, Caitlin; Dolgos, Michelle R.

2017-05-01

A structural and electromechanical investigation has been performed on (1-x)BaTiO 3–(x)BiInO 3 in the region 0.03 ≤ x ≤ 0.12. A gradual structural phase transition has been observed where the structure changes from tetragonal (P4mm) and passes through two regions of coexisting phases: (1) P4mm + R3m in the range 0.03 ≤ x ≤ 0.075 and (2) Pmmore » $$\\bar{3}$$m + R3m for 0.10 ≤ x ≤ 0.12. The properties also transition from ferroelectric (x ≤ 0.03) to relaxor ferroelectric (x ≥ 0.05) as the dielectric permittivity maximum becomes temperature and frequency dependent. This transition was also confirmed via polarization-electric field measurements as well as strain-electric field measurements. At the critical composition of x = 0.065, a moderate strain of ~0.104% and an effective piezoelectric coefficient (d$$*\\atop{33}$$) of 260 pm/V were observed. Finally, the original purpose of this study was to demonstrate the polarization extension mechanism as predicted in the literature, but due to the ferroelectric to relaxor transition, this mechanism was not found to be present in this system. However, this demonstrates that BaTiO 3-based lead-free ceramics could be modified to obtain enhanced electromechanical properties for actuator applications.« less

Geometric structure and information change in phase transitions

NASA Astrophysics Data System (ADS)

Kim, Eun-jin; Hollerbach, Rainer

2017-06-01

We propose a toy model for a cyclic order-disorder transition and introduce a geometric methodology to understand stochastic processes involved in transitions. Specifically, our model consists of a pair of forward and backward processes (FPs and BPs) for the emergence and disappearance of a structure in a stochastic environment. We calculate time-dependent probability density functions (PDFs) and the information length L , which is the total number of different states that a system undergoes during the transition. Time-dependent PDFs during transient relaxation exhibit strikingly different behavior in FPs and BPs. In particular, FPs driven by instability undergo the broadening of the PDF with a large increase in fluctuations before the transition to the ordered state accompanied by narrowing the PDF width. During this stage, we identify an interesting geodesic solution accompanied by the self-regulation between the growth and nonlinear damping where the time scale τ of information change is constant in time, independent of the strength of the stochastic noise. In comparison, BPs are mainly driven by the macroscopic motion due to the movement of the PDF peak. The total information length L between initial and final states is much larger in BPs than in FPs, increasing linearly with the deviation γ of a control parameter from the critical state in BPs while increasing logarithmically with γ in FPs. L scales as |lnD | and D-1 /2 in FPs and BPs, respectively, where D measures the strength of the stochastic forcing. These differing scalings with γ and D suggest a great utility of L in capturing different underlying processes, specifically, diffusion vs advection in phase transition by geometry. We discuss physical origins of these scalings and comment on implications of our results for bistable systems undergoing repeated order-disorder transitions (e.g., fitness).

Geometric structure and information change in phase transitions.

PubMed

Kim, Eun-Jin; Hollerbach, Rainer

2017-06-01

We propose a toy model for a cyclic order-disorder transition and introduce a geometric methodology to understand stochastic processes involved in transitions. Specifically, our model consists of a pair of forward and backward processes (FPs and BPs) for the emergence and disappearance of a structure in a stochastic environment. We calculate time-dependent probability density functions (PDFs) and the information length L, which is the total number of different states that a system undergoes during the transition. Time-dependent PDFs during transient relaxation exhibit strikingly different behavior in FPs and BPs. In particular, FPs driven by instability undergo the broadening of the PDF with a large increase in fluctuations before the transition to the ordered state accompanied by narrowing the PDF width. During this stage, we identify an interesting geodesic solution accompanied by the self-regulation between the growth and nonlinear damping where the time scale τ of information change is constant in time, independent of the strength of the stochastic noise. In comparison, BPs are mainly driven by the macroscopic motion due to the movement of the PDF peak. The total information length L between initial and final states is much larger in BPs than in FPs, increasing linearly with the deviation γ of a control parameter from the critical state in BPs while increasing logarithmically with γ in FPs. L scales as |lnD| and D^{-1/2} in FPs and BPs, respectively, where D measures the strength of the stochastic forcing. These differing scalings with γ and D suggest a great utility of L in capturing different underlying processes, specifically, diffusion vs advection in phase transition by geometry. We discuss physical origins of these scalings and comment on implications of our results for bistable systems undergoing repeated order-disorder transitions (e.g., fitness).

Defect-induced local variation of crystal phase transition temperature in metal-halide perovskites.

PubMed

Dobrovolsky, Alexander; Merdasa, Aboma; Unger, Eva L; Yartsev, Arkady; Scheblykin, Ivan G

2017-06-26

Solution-processed organometal halide perovskites are hybrid crystalline semiconductors highly interesting for low-cost and efficient optoelectronics. Their properties are dependent on the crystal structure. Literature shows a variety of crystal phase transition temperatures and often a spread of the transition over tens of degrees Kelvin. We explain this inconsistency by demonstrating that the temperature of the tetragonal-to-orthorhombic phase transition in methylammonium lead triiodide depends on the concentration and nature of local defects. Phase transition in individual nanowires was studied by photoluminescence microspectroscopy and super-resolution imaging. We propose that upon cooling from 160 to 140 K, domains of the crystal containing fewer defects stay in the tetragonal phase longer than highly defected domains that readily transform to the high bandgap orthorhombic phase at higher temperatures. The existence of relatively pure tetragonal domains during the phase transition leads to drastic photoluminescence enhancement, which is inhomogeneously distributed across perovskite microcrystals.Understanding crystal phase transition in materials is of fundamental importance. Using luminescence spectroscopy and super-resolution imaging, Dobrovolsky et al. study the transition from the tetragonal to orthorhombic crystal phase in methylammonium lead triiodide nanowires at low temperature.

The generalization of charged AdS black hole specific volume and number density

NASA Astrophysics Data System (ADS)

Wang, Zi-Liang; He, Miao; Fang, Chao; Sun, Dao-Quan; Deng, Jian-Bo

2017-04-01

In this paper, by proposing a generalized specific volume, we restudy the P- V criticality of charged AdS black holes in the extended phase space. The results show that most of the previous conclusions can be generalized without change, but the ratio {\\tilde{ρ }}_c should be 3 {\\tilde{α }}/16 in general case. Further research on the thermodynamical phase transition of black hole leads us to a natural interpretation of our assumption, and more black hole properties can be generalized. Finally, we study the number density for charged AdS black hole in higher dimensions, the results show the necessity of our assumption.

Ab Initio Simulations of Temperature Dependent Phase Stability and Martensitic Transitions in NiTi

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Thompson, Alexander E.; Lawson, John W.

2016-01-01

For NiTi based alloys, the shape memory effect is governed by a transition from a low-temperature martensite phase to a high-temperature austenite phase. Despite considerable experimental and computational work, basic questions regarding the stability of the phases and the martensitic phase transition remain unclear even for the simple case of binary, equiatomic NiTi. We perform ab initio molecular dynamics simulations to describe the temperature-dependent behavior of NiTi and resolve several of these outstanding issues. Structural correlation functions and finite temperature phonon spectra are evaluated to determine phase stability. In particular, we show that finite temperature, entropic effects stabilize the experimentally observed martensite (B19') and austenite (B2) phases while destabilizing the theoretically predicted (B33) phase. Free energy computations based on ab initio thermodynamic integration confirm these results and permit estimates of the transition temperature between the phases. In addition to the martensitic phase transition, we predict a new transition between the B33 and B19' phases. The role of defects in suppressing these phase transformations is discussed.

Formation of the molecular crystal structure during the vacuum sublimation of paracetamol

NASA Astrophysics Data System (ADS)

Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.; Bordei, N. S.

2015-04-01

The results from structural and thermal studies on the formation of molecular crystals during the vacuum sublimation of paracetamol from its vapor phase are given. It is established that the vapor-crystal phase transition proceeds in a complicated way as the superposition of two phase transitions: a first-order phase transition with a change in density, and a second-order phase transition with a change in ordering. It is shown that the latter is a smeared phase transition that proceeds with the formation of a pretransitional phase that is irreversibly dissipated during phase transformation, leading to the formation of crystals of the rhombic syngony. Data from differential scanning calorimetry and X-ray diffraction analysis are presented along with microphotographs.

Phase transitions in (NH4)2MoO2F4 crystal

NASA Astrophysics Data System (ADS)

Krylov, Alexander; Laptash, Natalia; Vtyurin, Alexander; Krylova, Svetlana

2016-11-01

The mechanisms of temperature and high pressure phase transitions have been studied by Raman spectroscopy. Room temperature (295 K) experiments under high hydrostatic pressure up to 3.6 GPa for (NH4)2 MoO2 F4 have been carried out. Experimental data indicates a phase transition into a new high-pressure phase for (NH4)2 MoO2 F4 at 1.2 GPa. This phase transition is related to the ordering anion octahedron groups [MoO2 F4]2- and is not associated with ammonium group. Raman spectra of small non-oriented crystals ranging from 10 to 350 K have been observed. The experiment shows anion groups [MoO2 F4]2- and ammonium in high temperature phase are disordered. The phase transition at T1 = 269.8 K is of the first-order, close to the tricritical point. The first temperature phase transition is related to the ordering anion octahedron groups [MoO2 F4]2-. Second phase transitions T2 = 180 K are associated with the ordering of ammonium. The data presented within this study demonstrate that 2D correlation analysis combined with traditional Raman spectroscopy are powerful tool to study phase transitions in the crystals.

Unconventional phase transitions in liquid crystals

NASA Astrophysics Data System (ADS)

Kats, E. I.

2017-12-01

According to classical textbooks on thermodynamics or statistical physics, there are only two types of phase transitions: continuous, or second-order, in which the latent heat L is zero, and first-order, in which L ≠ 0. Present-day textbooks and monographs also mention another, stand-alone type—the Berezinskii-Kosterlitz-Thouless transition, which exists only in two dimensions and shares some features with first- and second-order phase transitions. We discuss examples of non-conventional thermodynamic behavior (i.e., which is inconsistent with the theoretical phase transition paradigm now universally accepted). For phase transitions in smectic liquid crystals, mechanisms for nonconventional behavior are proposed and the predictions they imply are examined.

Excitations and relaxation dynamics in multiferroic GeV4S8 studied by terahertz and dielectric spectroscopy

NASA Astrophysics Data System (ADS)

Reschke, S.; Wang, Zhe; Mayr, F.; Ruff, E.; Lunkenheimer, P.; Tsurkan, V.; Loidl, A.

2017-10-01

We report on THz time-domain spectroscopy on multiferroic GeV4S8 , which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric experiments at audio and radio frequencies. We identify a low-lying excitation close to 0.5 THz, which is only weakly temperature dependent and probably corresponds to a molecular excitation within the electronic level scheme of the V4 clusters. In addition, we detect complex temperature-dependent behavior of a low-lying phononic excitation, closely linked to the onset of orbitally driven ferroelectricity. In the high-temperature cubic phase, which is paramagnetic and orbitally disordered, this excitation is of relaxational character becomes an overdamped Lorentzian mode in the orbitally ordered phase below the Jahn-Teller transition, and finally appears as well-defined phonon excitation in the antiferromagnetic state. Abrupt changes in the real and imaginary parts of the complex dielectric permittivity show that orbital ordering appears via a structural phase transition with strong first-order character and that the onset of antiferromagnetic order is accompanied by significant structural changes, which are of first-order character, too. Dielectric spectroscopy documents that at low frequencies, significant dipolar relaxations are present in the orbitally ordered, paramagnetic phase only. In contrast to the closely related GaV4S8 , this relaxation dynamics that most likely mirrors coupled orbital and polar fluctuations does not seem to be related to the dynamic processes detected in the THz regime.

Generalization of soft phonon modes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rudin, Sven P.

Soft phonon modes describe a collective movement of atoms that transform a higher-symmetry crystal structure into a lower-symmetry crystal structure. Such structural transformations occur at finite temperatures, where the phonons (i.e., the low-temperature vibrational modes) and the static perfect crystal structures provide an incomplete picture of the dynamics. In this paper, principal vibrational modes (PVMs) are introduced as descriptors of the dynamics of a material system withmore » $N$ atoms. The PVMs represent the independent collective movements of the atoms at a given temperature. Molecular dynamics (MD) simulations, here in the form of quantum MD using density functional theory calculations, provide both the data describing the atomic motion and the data used to construct the PVMs. The leading mode, $${\\mathrm{PVM}}_{0}$$, represents the $3N$-dimensional direction in which the system moves with greatest amplitude. For structural phase transitions, $${\\mathrm{PVM}}_{0}$$ serves as a generalization of soft phonon modes. At low temperatures, $${\\mathrm{PVM}}_{0}$$ reproduces the soft phonon mode in systems where one phonon dominates the phase transformation. In general, multiple phonon modes combine to describe a transformation, in which case $${\\mathrm{PVM}}_{0}$$ culls these phonon modes. Moreover, while soft phonon modes arise in the higher-symmetry crystal structure, $${\\mathrm{PVM}}_{0}$$ can be equally well calculated on either side of the structural phase transition. Finally, two applications demonstrate these properties: first, transitions into and out of bcc titanium, and, second, the two crystal structures proposed for the $${\\beta}$$ phase of uranium, the higher-symmetry structure of which stabilizes with temperature.« less

Generalization of soft phonon modes

DOE PAGES

Rudin, Sven P.

2018-04-27

Soft phonon modes describe a collective movement of atoms that transform a higher-symmetry crystal structure into a lower-symmetry crystal structure. Such structural transformations occur at finite temperatures, where the phonons (i.e., the low-temperature vibrational modes) and the static perfect crystal structures provide an incomplete picture of the dynamics. In this paper, principal vibrational modes (PVMs) are introduced as descriptors of the dynamics of a material system withmore » $N$ atoms. The PVMs represent the independent collective movements of the atoms at a given temperature. Molecular dynamics (MD) simulations, here in the form of quantum MD using density functional theory calculations, provide both the data describing the atomic motion and the data used to construct the PVMs. The leading mode, $${\\mathrm{PVM}}_{0}$$, represents the $3N$-dimensional direction in which the system moves with greatest amplitude. For structural phase transitions, $${\\mathrm{PVM}}_{0}$$ serves as a generalization of soft phonon modes. At low temperatures, $${\\mathrm{PVM}}_{0}$$ reproduces the soft phonon mode in systems where one phonon dominates the phase transformation. In general, multiple phonon modes combine to describe a transformation, in which case $${\\mathrm{PVM}}_{0}$$ culls these phonon modes. Moreover, while soft phonon modes arise in the higher-symmetry crystal structure, $${\\mathrm{PVM}}_{0}$$ can be equally well calculated on either side of the structural phase transition. Finally, two applications demonstrate these properties: first, transitions into and out of bcc titanium, and, second, the two crystal structures proposed for the $${\\beta}$$ phase of uranium, the higher-symmetry structure of which stabilizes with temperature.« less

Superradiant phase transition with graphene embedded in one dimensional optical cavity

NASA Astrophysics Data System (ADS)

Li, Benliang; Liu, Tao; Hewak, Daniel W.; Wang, Qi Jie

2018-01-01

We theoretically investigate the cavity QED of graphene embedded in an optical cavity under perpendicular magnetic field. We consider the coupling of cyclotron transition and a multimode cavity described by a multimode Dicke model. This model exhibits a superradiant quantum phase transition, which we describe exactly in an effective Hamiltonian approach. The complete excitation spectrum in both the normal phase and superradiant phase regimes is given. In contrast to the single mode case, multimode coupling of cavity photon and cyclotron transition can greatly reduce the critical vacuum Rabi frequency required for quantum phase transition, and dramatically enhance the superradiant emission by fast modulating the Hamiltonian. Our work paves a way to experimental explorations of quantum phase transitions in solid state systems.

THE ROLE OF METASTABLE STATES IN POLYMER PHASE TRANSITIONS: Concepts, Principles, and Experimental Observations

NASA Astrophysics Data System (ADS)

Cheng, Stephen Z. D.; Keller, Andrew

1998-08-01

Polymer phases can be described in the same way as phases in other condensed matter using a number density operator and its correlation functions. This description requires the understanding of symmetry operations and order at different atomic and molecular levels. Statistical mechanics provides a link between the microscopic description of the structure and motion and the macroscopic thermodynamic properties. Within the limits of the laws of thermodynamics, polymers exhibit a rich variety of phase transition behaviors. By definition, a first-order phase transition describes a transformation that involves a sudden change of thermodynamic properties at its transition temperature, whereas higher-order phase transitions are classified as critical phenomena. Of special interest is the role of metastability in phase and phase transition behaviors. Although a metastable state possesses a local free energy minimum, it is not at the global equilibrium. Furthermore, metastable states can also be associated with phase sizes. Metastable behavior is also observed in phase transformations that are impeded by kinetic limitations along the pathway to thermodynamic equilibrium. This is illustrated in structural and morphological investigations of crystallization and mesophase transitions, liquid-liquid phase separation, vitrification, and gel formation, as well as combinations of transformation processes. In these cases, the metastable state often becomes the dominant state for the entire system and is observed over a range of time and size scales. This review describes the general principles of metastability in polymer phases and phase transitions and provides illustrations from current experimental works in selected areas.

Trapping of edge dislocations by a moving smectic-A smectic-B interface

NASA Astrophysics Data System (ADS)

Oswald, P.; Lejcek, L.

1991-09-01

We analyze how the motion of the edge dislocations of the smectic-A liquid crystal allows the system to relax plastically the stresses that are generated during the growth of the smectic-B plastic crystal. These stresses are both due, to the density difference between the two phases, and to the layer thickness variation at the phase transition. In particular, we calculate under which conditions a dislocation can be trapped by the smectic-B phase. Finally, we suggest that this dynamical trapping is responsible for the very large amount of stacking faults observed by X-ray diffraction. Nous analysons comment le mouvement des dislocations coin du cristal liquide smectique A permet de relaxer plastiquement les contraintes induites par la croissance du cristal plastique smectique B. Ces contraintes sont engendrées à la fois par la différence de densité qui existe entre les deux phases et par la variation d'épaisseur des couches à la transition. Nous calculons en particulier dans quelles conditions une dislocation coin peut être piégée par le smectique B. Enfin, nous suggérons que ce piégeage dynamique est à l'origine de la très forte densité de fautes d'empilement qui est couramment observée aux rayons X dans la phase B.

Origins of the structural phase transitions in MoTe2 and WTe2

NASA Astrophysics Data System (ADS)

Kim, Hyun-Jung; Kang, Seoung-Hun; Hamada, Ikutaro; Son, Young-Woo

2017-05-01

Layered transition metal dichalcogenides MoTe2 and WTe2 share almost similar lattice constants as well as topological electronic properties except their structural phase transitions. While the former shows a first-order phase transition between monoclinic and orthorhombic structures, the latter does not. Using a recently proposed van der Waals density functional method, we investigate structural stability of the two materials and uncover that the disparate phase transitions originate from delicate differences between their interlayer bonding states near the Fermi energy. By exploiting the relation between the structural phase transitions and the low energy electronic properties, we show that a charge doping can control the transition substantially, thereby suggesting a way to stabilize or to eliminate their topological electronic energy bands.

A metal-insulator transition study of VO 2 thin films grown on sapphire substrates

DOE PAGES

Yu, Shifeng; Wang, Shuyu; Lu, Ming; ...

2017-12-15

In this paper, vanadium thin films were deposited on sapphire substrates by DC magnetron sputtering and then oxidized in a tube furnace filled with oxygen under different temperatures and oxygen flow rates. The significant influence of the oxygen flow rate and oxidation temperature on the electrical and structural properties of the vanadium oxide thin films were investigated systematically. It shows the pure vanadium dioxide (VO 2) state can only be obtained in a very narrow temperature and oxygen flow rate range. The resistivity change during the metal-insulator transition varies from 0.2 to 4 orders of magnitude depending on the oxidationmore » condition. Large thermal hysteresis during the metal-insulator phase transition was observed during the transition compared to the results in literature. Proper oxidation conditions can significantly reduce the thermal hysteresis. Finally, the fabricated VO 2 thin films showed the potential to be applied in the development of electrical sensors and other smart devices.« less

Confinement and low adhesion induce fast amoeboid migration of slow mesenchymal cells.

PubMed

Liu, Yan-Jun; Le Berre, Maël; Lautenschlaeger, Franziska; Maiuri, Paolo; Callan-Jones, Andrew; Heuzé, Mélina; Takaki, Tohru; Voituriez, Raphaël; Piel, Matthieu

2015-02-12

The mesenchymal-amoeboid transition (MAT) was proposed as a mechanism for cancer cells to adapt their migration mode to their environment. While the molecular pathways involved in this transition are well documented, the role of the microenvironment in the MAT is still poorly understood. Here, we investigated how confinement and adhesion affect this transition. We report that, in the absence of focal adhesions and under conditions of confinement, mesenchymal cells can spontaneously switch to a fast amoeboid migration phenotype. We identified two main types of fast migration--one involving a local protrusion and a second involving a myosin-II-dependent mechanical instability of the cell cortex that leads to a global cortical flow. Interestingly, transformed cells are more prone to adopt this fast migration mode. Finally, we propose a generic model that explains migration transitions and predicts a phase diagram of migration phenotypes based on three main control parameters: confinement, adhesion, and contractility. Copyright © 2015 Elsevier Inc. All rights reserved.

Interplay between topology and disorder in a two-dimensional semi-Dirac material

NASA Astrophysics Data System (ADS)

Sriluckshmy, P. V.; Saha, Kush; Moessner, Roderich

2018-01-01

We investigate the role of disorder in a two-dimensional semi-Dirac material characterized by a linear dispersion in one direction and a parabolic dispersion in the orthogonal direction. Using the self-consistent Born approximation, we show that disorder can drive a topological Lifshitz transition from an insulator to a semimetal, as it generates a momentum-independent off-diagonal contribution to the self-energy. Breaking time-reversal symmetry enriches the topological phase diagram with three distinct regimes—single-node trivial, two-node trivial, and two-node Chern. We find that disorder can drive topological transitions from both the single- and two-node trivial to the two-node Chern regime. We further analyze these transitions in an appropriate tight-binding Hamiltonian of an anisotropic hexagonal lattice by calculating the real-space Chern number. Additionally, we compute the disorder-averaged entanglement entropy which signals both the topological Lifshitz and Chern transition as a function of the anisotropy of the hexagonal lattice. Finally, we discuss experimental aspects of our results.

Close correlation between magnetic properties and the soft phonon mode of the structural transition in BaFe 2 As 2 and SrFe 2 As 2

DOE PAGES

Parshall, D.; Pintschovius, L.; Niedziela, Jennifer L.; ...

2015-04-27

Pmore » arent compounds of Fe-based superconductors undergo a structural phase transition from a tetragonal to an orthorhombic structure. We investigated the temperature dependence of the frequencies of TA phonons that extrapolate to the shear vibrational mode at the zone center, which corresponds to the orthorhombic deformation of the crystal structure at low temperatures in BaFe 2 As 2 and SrFe 2 As 2 . We found that acoustic phonons at small wave vectors soften gradually towards the transition from high temperatures, tracking the increase of the size of slowly fluctuating magnetic domains. On cooling below the transition to base temperature the phonons harden, following the square of the magnetic moment (which we find is proportional to the anisotropy gap). Finally, our results provide evidence for close correlation between magnetic and phonon properties in Fe-based superconductors.« less

Boron-tuning transition temperature of vanadium dioxide from rutile to monoclinic phase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, J. J.; He, H. Y.; Xie, Y.

2014-11-21

The effect of the doped boron on the phase transition temperature between the monoclinic phase and the rutile phase of VO{sub 2} has been studied by performing first-principles calculations. It is found that the phase transition temperature decreases linearly with increasing the doping level of B in each system, no matter where the B atom is in the crystal. More importantly, the descent of the transition temperature is predicted to be as large as 83 K/at. % B, indicating that the boron concentration of only 0.5% can cause the phase transition at room temperature. These findings provide a new routinemore » of modulating the phase transition of VO{sub 2} and pave a way for the practicality of VO{sub 2} as an energy-efficient green material.« less

Luminous blue variables and the fates of very massive stars

NASA Astrophysics Data System (ADS)

Smith, Nathan

2017-09-01

Luminous blue variables (LBVs) had long been considered massive stars in transition to the Wolf-Rayet (WR) phase, so their identification as progenitors of some peculiar supernovae (SNe) was surprising. More recently, environment statistics of LBVs show that most of them cannot be in transition to the WR phase after all, because LBVs are more isolated than allowed in this scenario. Additionally, the high-mass H shells around luminous SNe IIn require that some very massive stars above 40 M⊙ die without shedding their H envelopes, and the precursor outbursts are a challenge for understanding the final burning sequences leading to core collapse. Recent evidence suggests a clear continuum in pre-SN mass loss from super-luminous SNe IIn, to regular SNe IIn, to SNe II-L and II-P, whereas most stripped-envelope SNe seem to arise from a separate channel of lower-mass binary stars rather than massive WR stars. This article is part of the themed issue 'Bridging the gap: from massive stars to supernovae'.

Stress compensation for arbitrary curvature control in vanadium dioxide phase transition actuators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Kaichen, E-mail: dkc12@mails.tsinghua.edu.cn, E-mail: wuj@berkeley.edu; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720; State Key Laboratory of Precision Measurement Technology and Instruments, Department of Precision Instrument, Tsinghua University, Beijing 100084

2016-07-11

Due to its thermally driven structural phase transition, vanadium dioxide (VO{sub 2}) has emerged as a promising material for micro/nano-actuators with superior volumetric work density, actuation amplitude, and repetition frequency. However, the high initial curvature of VO{sub 2} actuators severely obstructs the actuation performance and application. Here, we introduce a “seesaw” method of fabricating tri-layer cantilevers to compensate for the residual stress and realize nearly arbitrary curvature control of VO{sub 2} actuators. By simply adjusting the thicknesses of the individual layers, cantilevers with positive, zero, or negative curvatures can be engineered. The actuation amplitude can be decoupled from the curvaturemore » and controlled independently as well. Based on the experimentally measured residual stresses, we demonstrate sub-micron thick VO{sub 2} actuators with nearly zero final curvature and a high actuation amplitude simultaneously. This “seesaw” method can be further extended to the curvature engineering of other microelectromechanical system multi-layer structures where large stress-mismatch between layers are inevitable.« less

Critical behaviour in charging of electric vehicles

NASA Astrophysics Data System (ADS)

Carvalho, Rui; Buzna, Lubos; Gibbens, Richard; Kelly, Frank

2015-09-01

The increasing penetration of electric vehicles over the coming decades, taken together with the high cost to upgrade local distribution networks and consumer demand for home charging, suggest that managing congestion on low voltage networks will be a crucial component of the electric vehicle revolution and the move away from fossil fuels in transportation. Here, we model the max-flow and proportional fairness protocols for the control of congestion caused by a fleet of vehicles charging on two real-world distribution networks. We show that the system undergoes a continuous phase transition to a congested state as a function of the rate of vehicles plugging to the network to charge. We focus on the order parameter and its fluctuations close to the phase transition, and show that the critical point depends on the choice of congestion protocol. Finally, we analyse the inequality in the charging times as the vehicle arrival rate increases, and show that charging times are considerably more equitable in proportional fairness than in max-flow.

Quantum to classical transition in the Hořava-Lifshitz quantum cosmology

NASA Astrophysics Data System (ADS)

Bernardini, A. E.; Leal, P.; Bertolami, O.

2018-02-01

A quasi-Gaussian quantum superposition of Hořava-Lifshitz (HL) stationary states is built in order to describe the transition of the quantum cosmological problem to the related classical dynamics. The obtained HL phase-space superposed Wigner function and its associated Wigner currents describe the conditions for the matching between classical and quantum phase-space trajectories. The matching quantum superposition parameter is associated to the total energy of the classical trajectory which, at the same time, drives the engendered Wigner function to the classical stationary regime. Through the analysis of the Wigner flows, the quantum fluctuations that distort the classical regime can be quantified as a measure of (non)classicality. Finally, the modifications to the Wigner currents due to the inclusion of perturbative potentials are computed in the HL quantum cosmological context. In particular, the inclusion of a cosmological constant provides complementary information that allows for connecting the age of the Universe with the overall stiff matter density profile.

Patterns of a spatial exploration under time evolution of the attractiveness: Persistent nodes, degree distribution, and spectral properties

NASA Astrophysics Data System (ADS)

da Silva, Roberto

2018-06-01

This work explores the features of a graph generated by agents that hop from one node to another node, where the nodes have evolutionary attractiveness. The jumps are governed by Boltzmann-like transition probabilities that depend both on the euclidean distance between the nodes and on the ratio (β) of the attractiveness between them. It is shown that persistent nodes, i.e., nodes that never been reached by this special random walk are possible in the stationary limit differently from the case where the attractiveness is fixed and equal to one for all nodes (β = 1). Simultaneously, one also investigates the spectral properties and statistics related to the attractiveness and degree distribution of the evolutionary network. Finally, a study of the crossover between persistent phase and no persistent phase was performed and it was also observed the existence of a special type of transition probability which leads to a power law behaviour for the time evolution of the persistence.

Inflexibility and independence: Phase transitions in the majority-rule model.

PubMed

Crokidakis, Nuno; de Oliveira, Paulo Murilo Castro

2015-12-01

In this work we study opinion formation in a population participating in a public debate with two distinct choices. We consider three distinct mechanisms of social interactions and individuals' behavior: conformity, nonconformity, and inflexibility. The conformity is ruled by the majority-rule dynamics, whereas the nonconformity is introduced in the population as an independent behavior, implying the failure of attempted group influence. Finally, the inflexible agents are introduced in the population with a given density. These individuals present a singular behavior, in a way that their stubbornness makes them reluctant to change their opinions. We consider these effects separately and all together, with the aim to analyze the critical behavior of the system. We perform numerical simulations in some lattice structures and for distinct population sizes. Our results suggest that the different formulations of the model undergo order-disorder phase transitions in the same universality class as the Ising model. Some of our results are complemented by analytical calculations.

Coexisting charge and magnetic orders in the dimer-chain iridate Ba 5AlIr 2O 11

DOE PAGES

Terzic, J.; Wang, J. C.; Ye, Feng; ...

2015-06-29

In this paper, we have synthesized and studied single-crystal Ba 5AlIr 2O 11 that features dimer chains of two inequivalent octahedra occupied by tetravalent Ir 4+(5d 5) and pentavalent Ir 5+(5d 4) ions, respectively. Ba 5AlIr 2O 11 is a Mott insulator that undergoes a subtle structural phase transition near T S=210K and a magnetic transition at T M=4.5K; the latter transition is surprisingly resistant to applied magnetic fields μ oH≤12T but more sensitive to modest applied pressure (dT M/dp ≈ +0.61K/GPa). All results indicate that the phase transition at T S signals an enhanced charge order that induces electricalmore » dipoles and strong dielectric response near T S. It is clear that the strong covalency and spin-orbit interaction (SOI) suppress double exchange in Ir dimers and stabilize a novel magnetic state that is neither S=3/2 nor J=1/2, but rather lies in an “intermediate” regime between these two states. Finally, the novel behavior of Ba 5AlIr 2O 11 therefore provides unique insights into the physics of SOI along with strong covalency in competition with double-exchange interactions of comparable strength.« less

Self-Management and Transition Readiness Assessment: Development, Reliability, and Factor Structure of the STARx Questionnaire.

PubMed

Ferris, M; Cohen, S; Haberman, C; Javalkar, K; Massengill, S; Mahan, J D; Kim, S; Bickford, K; Cantu, G; Medeiros, M; Phillips, A; Ferris, M T; Hooper, S R

2015-01-01

The Self-Management and Transition to Adulthood with Rx=Treatment (STARx) Questionnaire was developed to collect information on self-management and health care transition (HCT) skills, via self-report, in a broad population of adolescents and young adults (AYAs) with chronic conditions. Over several iterations, the STARx questionnaire was created with AYA, family, and health provider input. The development and pilot testing of the STARx Questionnaire took place with the assistance of 1219 AYAs with different chronic health conditions, in multiple institutions and settings over three phases: item development, pilot testing, reliability and factor structuring. The three development phases resulted in a final version of the STARx Questionnaire. The exploratory factor analysis of the third version of the 18-item STARx identified six factors that accounted for about 65% of the variance: Medication management, Provider communication, Engagement during appointments, Disease knowledge, Adult health responsibilities, and Resource utilization. Reliability estimates revealed good internal consistency and temporal stability, with the alpha coefficient for the overall scale being .80. The STARx was developmentally sensitive, with older patients scoring significantly higher on nearly every factor than younger patients. The STARx Questionnaire is a reliable, self-report tool with adequate internal consistency, temporal stability, and a strong, multidimensional factor structure. It provides another assessment strategy to measure self-management and transition skills in AYAs with chronic conditions. Copyright © 2015 Elsevier Inc. All rights reserved.

Study of anyon condensation and topological phase transitions from a Z4 topological phase using the projected entangled pair states approach

NASA Astrophysics Data System (ADS)

Iqbal, Mohsin; Duivenvoorden, Kasper; Schuch, Norbert

2018-05-01

We use projected entangled pair states (PEPS) to study topological quantum phase transitions. The local description of topological order in the PEPS formalism allows us to set up order parameters which measure condensation and deconfinement of anyons and serve as substitutes for conventional order parameters. We apply these order parameters, together with anyon-anyon correlation functions and some further probes, to characterize topological phases and phase transitions within a family of models based on a Z4 symmetry, which contains Z4 quantum double, toric code, double semion, and trivial phases. We find a diverse phase diagram which exhibits a variety of different phase transitions of both first and second order which we comprehensively characterize, including direct transitions between the toric code and the double semion phase.

A thermodynamic approach to model the caloric properties of semicrystalline polymers

NASA Astrophysics Data System (ADS)

Lion, Alexander; Johlitz, Michael

2016-05-01

It is well known that the crystallisation and melting behaviour of semicrystalline polymers depends in a pronounced manner on the temperature history. If the polymer is in the liquid state above the melting point, and the temperature is reduced to a level below the glass transition, the final degree of crystallinity, the amount of the rigid amorphous phase and the configurational state of the mobile amorphous phase strongly depend on the cooling rate. If the temperature is increased afterwards, the extents of cold crystallisation and melting are functions of the heating rate. Since crystalline and amorphous phases exhibit different densities, the specific volume depends also on the temperature history. In this article, a thermodynamically based phenomenological approach is developed which allows for the constitutive representation of these phenomena in the time domain. The degree of crystallinity and the configuration of the amorphous phase are represented by two internal state variables whose evolution equations are formulated under consideration of the second law of thermodynamics. The model for the specific Gibbs free energy takes the chemical potentials of the different phases and the mixture entropy into account. For simplification, it is assumed that the amount of the rigid amorphous phase is proportional to the degree of crystallinity. An essential outcome of the model is an equation in closed form for the equilibrium degree of crystallinity in dependence on pressure and temperature. Numerical simulations demonstrate that the process dependences of crystallisation and melting under consideration of the glass transition are represented.

The growth mechanism of grain boundary carbide in Alloy 690

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Hui, E-mail: huili@shu.edu.cn; Institute of Materials, Shanghai University, Shanghai 200072; Xia, Shuang

2013-07-15

The growth mechanism of grain boundary M{sub 23}C{sub 6} carbides in nickel base Alloy 690 after aging at 715 °C was investigated by high resolution transmission electron microscopy. The grain boundary carbides have coherent orientation relationship with only one side of the matrix. The incoherent phase interface between M{sub 23}C{sub 6} and matrix was curved, and did not lie on any specific crystal plane. The M{sub 23}C{sub 6} carbide transforms from the matrix phase directly at the incoherent interface. The flat coherent phase interface generally lies on low index crystal planes, such as (011) and (111) planes. The M{sub 23}C{submore » 6} carbide transforms from a transition phase found at curved coherent phase interface. The transition phase has a complex hexagonal crystal structure, and has coherent orientation relationship with matrix and M{sub 23}C{sub 6}: (111){sub matrix}//(0001){sub transition}//(111){sub carbide}, <112{sup ¯}>{sub matrix}//<21{sup ¯}10>{sub transition}//<112{sup ¯}>{sub carbide}. The crystal lattice constants of transition phase are c{sub transition}=√(3)×a{sub matrix} and a{sub transition}=√(6)/2×a{sub matrix}. Based on the experimental results, the growth mechanism of M{sub 23}C{sub 6} and the formation mechanism of transition phase are discussed. - Highlights: • A transition phase was observed at the coherent interfaces of M{sub 23}C{sub 6} and matrix. • The transition phase has hexagonal structure, and is coherent with matrix and M{sub 23}C{sub 6}. • The M{sub 23}C{sub 6} transforms from the matrix directly at the incoherent phase interface.« less

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

NASA Astrophysics Data System (ADS)

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

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

Boundary-field-driven control of discontinuous phase transitions on hyperbolic lattices

NASA Astrophysics Data System (ADS)

Lee, Yoju; Verstraete, Frank; Gendiar, Andrej

2016-08-01

The multistate Potts models on two-dimensional hyperbolic lattices are studied with respect to various boundary effects. The free energy is numerically calculated using the corner transfer matrix renormalization group method. We analyze phase transitions of the Potts models in the thermodynamic limit with respect to contracted boundary layers. A false phase transition is present even if a couple of the boundary layers are contracted. Its significance weakens, as the number of the contracted boundary layers increases, until the correct phase transition (deep inside the bulk) prevails over the false one. For this purpose, we derive a thermodynamic quantity, the so-called bulk excess free energy, which depends on the contracted boundary layers and memorizes additional boundary effects. In particular, the magnetic field is imposed on the outermost boundary layer. While the boundary magnetic field does not affect the second-order phase transition in the bulk if suppressing all the boundary effects on the hyperbolic lattices, the first-order (discontinuous) phase transition is significantly sensitive to the boundary magnetic field. Contrary to the phase transition on the Euclidean lattices, the discontinuous phase transition on the hyperbolic lattices can be continuously controlled (within a certain temperature coexistence region) by varying the boundary magnetic field.

Correlation and nonlocality measures as indicators of quantum phase transitions in several critical systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Altintas, Ferdi, E-mail: ferdialtintas@ibu.edu.tr; Eryigit, Resul, E-mail: resul@ibu.edu.tr

2012-12-15

We have investigated the quantum phase transitions in the ground states of several critical systems, including transverse field Ising and XY models as well as XY with multiple spin interactions, XXZ and the collective system Lipkin-Meshkov-Glick models, by using different quantumness measures, such as entanglement of formation, quantum discord, as well as its classical counterpart, measurement-induced disturbance and the Clauser-Horne-Shimony-Holt-Bell function. Measurement-induced disturbance is found to detect the first and second order phase transitions present in these critical systems, while, surprisingly, it is found to fail to signal the infinite-order phase transition present in the XXZ model. Remarkably, the Clauser-Horne-Shimony-Holt-Bellmore » function is found to detect all the phase transitions, even when quantum and classical correlations are zero for the relevant ground state. - Highlights: Black-Right-Pointing-Pointer The ability of correlation measures to detect quantum phase transitions has been studied. Black-Right-Pointing-Pointer Measurement induced disturbance fails to detect the infinite order phase transition. Black-Right-Pointing-Pointer CHSH-Bell function detects all phase transitions even when the bipartite density matrix is uncorrelated.« less

Strain and defect engineering on phase transition of monolayer black phosphorene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Yan; Shi, Xiaoyang; Li, Mingjia

Under biaxial strain, SW-2 defect can move inward the phase boundary of α-P and β-P remarkably and promote the phase transition from α-P to β-P, serving as an excellent ‘phase transition catalyzer’.

Strain and defect engineering on phase transition of monolayer black phosphorene

DOE PAGES

Chen, Yan; Shi, Xiaoyang; Li, Mingjia; ...

2018-01-01

Under biaxial strain, SW-2 defect can move inward the phase boundary of α-P and β-P remarkably and promote the phase transition from α-P to β-P, serving as an excellent ‘phase transition catalyzer’.

Quantum phase transitions between a class of symmetry protected topological states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsui, Lokman; Jiang, Hong-Chen; Lu, Yuan-Ming

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 modelsmore » 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.« less

Quantum phase transitions between a class of symmetry protected topological states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsui, Lokman; Jiang, Hong -Chen; Lu, Yuan -Ming

2015-04-30

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, H d+1(G,U(1)), contains at least one Z 2n or Z factor. We show that the phase transition between the trivial SPT and the root states that generate the Z 2n or Z groups can be induced on the boundary of a (d+1)-dimensional G x Z T 2-symmetric SPT by a Z T 2 symmetry breaking field. Moreover we show these boundary phase transitions can be “transplanted” to d dimensions and realizedmore » 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.« less

Size-dependent phase transition in methylammonium lead iodide perovskite microplate crystals

PubMed Central

Li, Dehui; Wang, Gongming; Cheng, Hung-Chieh; Chen, Chih-Yen; Wu, Hao; Liu, Yuan; Huang, Yu; Duan, Xiangfeng

2016-01-01

Methylammonium lead iodide perovskite has attracted considerable recent interest for solution processable solar cells and other optoelectronic applications. The orthorhombic-to-tetragonal phase transition in perovskite can significantly alter its optical, electrical properties and impact the corresponding applications. Here, we report a systematic investigation of the size-dependent orthorhombic-to-tetragonal phase transition using a combined temperature-dependent optical, electrical transport and transmission electron microscopy study. Our studies of individual perovskite microplates with variable thicknesses demonstrate that the phase transition temperature decreases with reducing microplate thickness. The sudden decrease of mobility around phase transition temperature and the presence of hysteresis loops in the temperature-dependent mobility confirm that the orthorhombic-to-tetragonal phase transition is a first-order phase transition. Our findings offer significant fundamental insight on the temperature- and size-dependent structural, optical and charge transport properties of perovskite materials, and can greatly impact future exploration of novel electronic and optoelectronic devices from these materials. PMID:27098114

Size-dependent phase transition in methylammonium lead iodide perovskite microplate crystals

DOE PAGES

Li, Dehui; Wang, Gongming; Cheng, Hung -Chieh; ...

2016-04-21

Methylammonium lead iodide perovskite has attracted considerable recent interest for solution processable solar cells and other optoelectronic applications. The orthorhombic-to-tetragonal phase transition in perovskite can significantly alter its optical, electrical properties and impact the corresponding applications. Here, we report a systematic investigation of the size-dependent orthorhombic-to-tetragonal phase transition using a combined temperature-dependent optical, electrical transport and transmission electron microscopy study. Our studies of individual perovskite microplates with variable thicknesses demonstrate that the phase transition temperature decreases with reducing microplate thickness. The sudden decrease of mobility around phase transition temperature and the presence of hysteresis loops in the temperature-dependent mobility confirmmore » that the orthorhombic-to-tetragonal phase transition is a first-order phase transition. Lastly, our findings offer significant fundamental insight on the temperature-and size-dependent structural, optical and charge transport properties of perovskite materials, and can greatly impact future exploration of novel electronic and optoelectronic devices from these materials.« less

Conventional empirical law reverses in the phase transitions of 122-type iron-based superconductors

DOE PAGES

Yu, Zhenhai; Wang, Lin; Wang, Luhong; ...

2014-11-24

Phase transition of solid-state materials is a fundamental research topic in condensed matter physics, materials science and geophysics. It has been well accepted and widely proven that isostructural compounds containing different cations undergo same pressure-induced phase transitions but at progressively lower pressures as the cation radii increases. However, we discovered that this conventional law reverses in the structural transitions in 122-type iron-based superconductors. In this report, a combined low temperature and high pressure X-ray diffraction (XRD) measurement has identified the phase transition curves among the tetragonal (T), orthorhombic (O) and the collapsed-tetragonal (cT) phases in the structural phase diagram ofmore » the iron-based superconductor AFe 2As 2 (A = Ca, Sr, Eu, and Ba). As a result, the cation radii dependence of the phase transition pressure (T → cT) shows an opposite trend in which the compounds with larger ambient radii cations have a higher transition pressure.« less

Quasi-phases and pseudo-transitions in one-dimensional models with nearest neighbor interactions

NASA Astrophysics Data System (ADS)

de Souza, S. M.; Rojas, Onofre

2018-01-01

There are some particular one-dimensional models, such as the Ising-Heisenberg spin models with a variety of chain structures, which exhibit unexpected behaviors quite similar to the first and second order phase transition, which could be confused naively with an authentic phase transition. Through the analysis of the first derivative of free energy, such as entropy, magnetization, and internal energy, a "sudden" jump that closely resembles a first-order phase transition at finite temperature occurs. However, by analyzing the second derivative of free energy, such as specific heat and magnetic susceptibility at finite temperature, it behaves quite similarly to a second-order phase transition exhibiting an astonishingly sharp and fine peak. The correlation length also confirms the evidence of this pseudo-transition temperature, where a sharp peak occurs at the pseudo-critical temperature. We also present the necessary conditions for the emergence of these quasi-phases and pseudo-transitions.

Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: experiments and theory

NASA Astrophysics Data System (ADS)

Nath Gupta, Satyendra; Singh, Anjali; Pal, Koushik; Muthu, D. V. S.; Shekhar, C.; Elghazali, Moaz A.; Naumov, Pavel G.; Medvedev, Sergey A.; Felser, C.; Waghmare, U. V.; Sood, A. K.

2018-05-01

High pressure Raman, resistivity and synchrotron x-ray diffraction studies on Weyl semimetals NbAs and TaAs have been carried out along with density functional theoretical (DFT) analysis to explain pressure induced structural and electronic topological phase transitions. The frequencies of first order Raman modes harden with increasing pressure, exhibiting a slope change at GPa for NbAs and GPa for TaAs. The resistivities of NbAs and TaAs exhibit a minimum at pressures close to these transition pressures and also a change in the bulk modulus is observed. Our first-principles calculations reveal that the transition is associated with an electronic Lifshitz transition at for NbAs while it is a structural phase transition from body centered tetragonal to hexagonal phase at for TaAs. Further, our DFT calculations show a structural phase transition at 24 GPa from body centered tetragonal phase to hexagonal phase.

Shear induced structures in crystallizing cocoa butter

NASA Astrophysics Data System (ADS)

Mazzanti, Gianfranco; Guthrie, Sarah E.; Sirota, Eric B.; Marangoni, Alejandro G.; Idziak, Stefan H. J.

2004-03-01

Cocoa butter is the main structural component of chocolate and many cosmetics. It crystallizes in several polymorphs, called phases I to VI. We used Synchrotron X-ray diffraction to study the effect of shear on its crystallization. A previously unreported phase (phase X) was found and a crystallization path through phase IV under shear was observed. Samples were crystallized under shear from the melt in temperature controlled Couette cells, at final crystallization temperatures of 17.5^oC, 20^oC and 22.5^oC in Beamline X10A of NSLS. The formation of phase X was observed at low shear rates (90 s-1) and low crystallization temperature (17.5^oC), but was absent at high shear (720 s-1) and high temperature (20^oC). The d-spacing and melting point suggest that this new phase is a mixture rich on two of the three major components of cocoa butter. We also found that, contrary to previous reports, the transition from phase II to phase V can happen through the intermediate phase IV, at high shear rates and temperature.

The transition to the metallic state in low density hydrogen

DOE PAGES

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

2015-11-18

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

Broken symmetry in a two-qubit quantum control landscape

NASA Astrophysics Data System (ADS)

Bukov, Marin; Day, Alexandre G. R.; Weinberg, Phillip; Polkovnikov, Anatoli; Mehta, Pankaj; Sels, Dries

2018-05-01

We analyze the physics of optimal protocols to prepare a target state with high fidelity in a symmetrically coupled two-qubit system. By varying the protocol duration, we find a discontinuous phase transition, which is characterized by a spontaneous breaking of a Z2 symmetry in the functional form of the optimal protocol, and occurs below the quantum speed limit. We study in detail this phase and demonstrate that even though high-fidelity protocols come degenerate with respect to their fidelity, they lead to final states of different entanglement entropy shared between the qubits. Consequently, while globally both optimal protocols are equally far away from the target state, one is locally closer than the other. An approximate variational mean-field theory which captures the physics of the different phases is developed.

High pressure study of Pu(0.92)Am(0.08) binary alloy.

PubMed

Klosek, V; Griveau, J C; Faure, P; Genestier, C; Baclet, N; Wastin, F

2008-07-09

The phase transitions (by means of x-ray diffraction) and electrical resistivity of a Pu(0.92)Am(0.08) binary alloy were determined under pressure (up to 2 GPa). The evolution of atomic volume with pressure gives detailed information concerning the degree of localization of 5f electronic states and their delocalization process. A quasi-linear V = f(P) dependence reflects subtle modifications of the electronic structure when P increases. The electrical resistivity measurements reveal the very high stability of the δ phase for pressures less than 0.7 GPa, since no martensitic-like transformation occurs at low temperature. Remarkable electronic behaviours have also been observed. Finally, resistivity curves have shown the temperature dependence of the phase transformations together with unexpected kinetic effects.

Berezinskii-Kosterlitz-Thouless phase transition for the dilute planar rotator model on a triangular lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun Yunzhou; Yi Lin; Wysin, G. M.

2008-10-15

The Berezinskii-Kosterlitz-Thouless (BKT) phase transition for the dilute planar rotator model on a triangular lattice is studied by using a hybrid Monte Carlo method. The phase-transition temperatures for different nonmagnetic impurity densities are obtained by three approaches: finite-size scaling of plane magnetic susceptibility, helicity modulus, and Binder's fourth cumulant. It is found that the phase-transition temperature decreases with increasing impurity density {rho} and the BKT phase transition vanishes when the magnetic occupancy falls to the site percolation threshold: 1-{rho}{sub c}=p{sub c}=0.5.

Synthetic Biology in Aqueous Compartments at the Micro- and Nanoscale

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boreyko, Jonathan; Caveney, Patrick M.; Norred, Sarah L.

ABSTRACT Aqueous two-phase systems and related emulsion-based structures defined within micro- and nanoscale environments enable a bottom-up synthetic biological approach to mimicking the dynamic compartmentation of biomaterial that naturally occurs within cells. Model systems we have developed to aid in understanding these phenomena include on-demand generation and triggering of reversible phase transitions in ATPS confined in microscale droplets, morpho-logical changes in networks of femtoliter-volume aqueous droplet interface bilayers (DIBs) formulated in microfluidic channels, and temperature-driven phase transitions in interfacial lipid bilayer systems supported on micro and nanostructured substrates. For each of these cases, the dynamics were intimately linked to changesmore » in the chemical potential of water, which becomes increasingly susceptible to confinement and crowding. At these length scales, where interfacial and surface areas predominate over compartment volumes, both evaporation and osmotic forces become enhanced relative to ideal dilute solutions. Finally, consequences of confinement and crowding in cell-sized microcompartments for increasingly complex scenarios will be discussed, from single-molecule mobility measurements with fluorescence correlation spectroscopy to spatio-temporal modulation of resource sharing in cell-free gene expression bursting.« less

Optimal topology to minimizing congestion in connected communication complex network

NASA Astrophysics Data System (ADS)

Benyoussef, M.; Ez-Zahraouy, H.; Benyoussef, A.

In this paper, a new model of the interdependent complex network is proposed, based on two assumptions that (i) the capacity of a node depends on its degree, and (ii) the traffic load depends on the distribution of the links in the network. Based on these assumptions, the presented model proposes a method of connection not based on the node having a higher degree but on the region containing hubs. It is found that the final network exhibits two kinds of degree distribution behavior, depending on the kind and the way of the connection. This study reveals a direct relation between network structure and traffic flow. It is found that pc the point of transition between the free flow and the congested phase depends on the network structure and the degree distribution. Moreover, this new model provides an improvement in the traffic compared to the results found in a single network. The same behavior of degree distribution found in a BA network and observed in the real world is obtained; except for this model, the transition point between the free phase and congested phase is much higher than the one observed in a network of BA, for both static and dynamic protocols.

Synthetic Biology in Aqueous Compartments at the Micro- and Nanoscale

DOE PAGES

Boreyko, Jonathan; Caveney, Patrick M.; Norred, Sarah L.; ...

2017-07-10

ABSTRACT Aqueous two-phase systems and related emulsion-based structures defined within micro- and nanoscale environments enable a bottom-up synthetic biological approach to mimicking the dynamic compartmentation of biomaterial that naturally occurs within cells. Model systems we have developed to aid in understanding these phenomena include on-demand generation and triggering of reversible phase transitions in ATPS confined in microscale droplets, morpho-logical changes in networks of femtoliter-volume aqueous droplet interface bilayers (DIBs) formulated in microfluidic channels, and temperature-driven phase transitions in interfacial lipid bilayer systems supported on micro and nanostructured substrates. For each of these cases, the dynamics were intimately linked to changesmore » in the chemical potential of water, which becomes increasingly susceptible to confinement and crowding. At these length scales, where interfacial and surface areas predominate over compartment volumes, both evaporation and osmotic forces become enhanced relative to ideal dilute solutions. Finally, consequences of confinement and crowding in cell-sized microcompartments for increasingly complex scenarios will be discussed, from single-molecule mobility measurements with fluorescence correlation spectroscopy to spatio-temporal modulation of resource sharing in cell-free gene expression bursting.« less

Phase behavior, microstructural transition, antimicrobial and antioxidant activities of a water-dilutable thymol microemulsion.

PubMed

Deng, Lingli; Taxipalati, Maierhaba; Sun, Ping; Que, Fei; Zhang, Hui

2015-12-01

Pseudo ternary phase diagrams were constructed to assess the dilutability of thymol microemulsions using non-ionic (Tween 80), cationic (CTAB), and anionic (SDS) surfactants. We successfully constructed a thymol U-type microemulsion system using Tween 80 as surfactant and studied the microstructural transition along the dilution line at a 90/10 surfactant/oil mass ratio, with thymol and ethanol (3:1, w/w) as the oil phase. Differential scanning calorimetry analysis suggested that the microemulsions gradually inverted from the water-in-oil (W/O) (0-20% water) to the bicontinuous (25-35% water), and finally to the oil-in-water (O/W) (40-90% water) microstructures upon dilution, in good agreement with the conductivity measurements, while the rheological results indicated the collapse of rod-like micelles followed by formation of spherical micelles in the O/W region. The activities of the U-type thymol microemulsions are structural dependent. The antimicrobial activity against Escherichia coli and Staphylococcus aureus decreased when the microemulsions transformed from W/O to bicontinuous and O/W structures, while the DPPH scavenging activity increased. Copyright © 2015 Elsevier B.V. All rights reserved.

Experimental evidences of the Gardner phase in a granular glass

NASA Astrophysics Data System (ADS)

Dauchot, Olivier; Seguin, Antoine

The constituent particles of a glass are caged by their neighbors and thus cannot relax density fluctuations. This is also true for hard particles under compression. The associated slowing down of the dynamics is related to a complex free energy landscape. It was recently shown theoretically that the hard sphere glass in infinite dimension undergoes a Gardner transition, at which the glass basin breaks into a hierarchy of marginally stable sub-basins. This was very recently confirmed in simulations of 2d and 3d hard sphere (HS) glasses. We present the first direct experimental evidences of the Gardner phase, taking advantage of a well controlled granular experiment, which has already proven to successfully probe the vicinity of the jamming transition in a bi-dimensional granular glass former. More precisely, we perform independent compressions of a carefully prepared granular glass and show that for large enough compression, the final state differs from one compression to another. To do so we compare the average cage size within one state, and the average distance separating the cages of the same particles across successive compression cycles. The latter plateaus to a constant value, when entering the Gardner phase.

Local bias-induced phase transitions

DOE PAGES

Seal, Katyayani; Baddorf, Arthur P.; Jesse, Stephen; ...

2008-11-27

Electrical bias-induced phase transitions underpin a wide range of applications from data storage to energy generation and conversion. The mechanisms behind these transitions are often quite complex and in many cases are extremely sensitive to local defects that act as centers for local transformations or pinning. Furthermore, using ferroelectrics as an example, we review methods for probing bias-induced phase transitions and discuss the current limitations and challenges for extending the methods to field-induced phase transitions and electrochemical reactions in energy storage, biological and molecular systems.

A multiphase transitioning peptide hydrogel for suturing ultrasmall vessels

NASA Astrophysics Data System (ADS)

Smith, Daniel J.; Brat, Gabriel A.; Medina, Scott H.; Tong, Dedi; Huang, Yong; Grahammer, Johanna; Furtmüller, Georg J.; Oh, Byoung Chol; Nagy-Smith, Katelyn J.; Walczak, Piotr; Brandacher, Gerald; Schneider, Joel P.

2016-01-01

Many surgeries are complicated by the need to anastomose, or reconnect, micrometre-scale vessels. Although suturing remains the gold standard for anastomosing vessels, it is difficult to place sutures correctly through collapsed lumen, making the procedure prone to failure. Here, we report a multiphase transitioning peptide hydrogel that can be injected into the lumen of vessels to facilitate suturing. The peptide, which contains a photocaged glutamic acid, forms a solid-like gel in a syringe and can be shear-thin delivered to the lumen of collapsed vessels (where it distends the vessel) and the space between two vessels (where it is used to approximate the vessel ends). Suturing is performed directly through the gel. Light is used to initiate the final gel-sol phase transition that disrupts the hydrogel network, allowing the gel to be removed and blood flow to resume. This gel adds a new tool to the armamentarium for micro- and supermicrosurgical procedures.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Shifeng; Wang, Shuyu; Lu, Ming

In this paper, vanadium thin films were deposited on sapphire substrates by DC magnetron sputtering and then oxidized in a tube furnace filled with oxygen under different temperatures and oxygen flow rates. The significant influence of the oxygen flow rate and oxidation temperature on the electrical and structural properties of the vanadium oxide thin films were investigated systematically. It shows the pure vanadium dioxide (VO 2) state can only be obtained in a very narrow temperature and oxygen flow rate range. The resistivity change during the metal-insulator transition varies from 0.2 to 4 orders of magnitude depending on the oxidationmore » condition. Large thermal hysteresis during the metal-insulator phase transition was observed during the transition compared to the results in literature. Proper oxidation conditions can significantly reduce the thermal hysteresis. Finally, the fabricated VO 2 thin films showed the potential to be applied in the development of electrical sensors and other smart devices.« less

Mixed-order phase transition in a colloidal crystal.

PubMed

Alert, Ricard; Tierno, Pietro; Casademunt, Jaume

2017-12-05

Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and nonequilibrium systems, but their experimental observation has remained elusive. Here, we analytically predict and experimentally realize a mixed-order equilibrium phase transition. Specifically, a discontinuous solid-solid transition in a 2D crystal of paramagnetic colloidal particles is induced by a magnetic field [Formula: see text] At the transition field [Formula: see text], the energy landscape of the system becomes completely flat, which causes diverging fluctuations and correlation length [Formula: see text] Mean-field critical exponents are predicted, since the upper critical dimension of the transition is [Formula: see text] Our colloidal system provides an experimental test bed to probe the unconventional properties of mixed-order phase transitions.

Mixed-order phase transition in a colloidal crystal

NASA Astrophysics Data System (ADS)

Alert, Ricard; Tierno, Pietro; Casademunt, Jaume

2017-12-01

Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and nonequilibrium systems, but their experimental observation has remained elusive. Here, we analytically predict and experimentally realize a mixed-order equilibrium phase transition. Specifically, a discontinuous solid-solid transition in a 2D crystal of paramagnetic colloidal particles is induced by a magnetic field H. At the transition field Hs, the energy landscape of the system becomes completely flat, which causes diverging fluctuations and correlation length ξ∝|H2-Hs2|-1/2. Mean-field critical exponents are predicted, since the upper critical dimension of the transition is du=2. Our colloidal system provides an experimental test bed to probe the unconventional properties of mixed-order phase transitions.

Global quantum discord and quantum phase transition in XY model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Si-Yuan; Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190; Zhang, Yu-Ran, E-mail: yrzhang@iphy.ac.cn

We study the relationship between the behavior of global quantum correlations and quantum phase transitions in XY model. We find that the two kinds of phase transitions in the studied model can be characterized by the features of global quantum discord (GQD) and the corresponding quantum correlations. We demonstrate that the maximum of the sum of all the nearest neighbor bipartite GQDs is effective and accurate for signaling the Ising quantum phase transition, in contrast, the sudden change of GQD is very suitable for characterizing another phase transition in the XY model. This may shed lights on the study ofmore » properties of quantum correlations in different quantum phases.« less

Symmetry-broken states in a system of interacting bosons on a two-leg ladder with a uniform Abelian gauge field

NASA Astrophysics Data System (ADS)

Greschner, S.; Piraud, M.; Heidrich-Meisner, F.; McCulloch, I. P.; Schollwöck, U.; Vekua, T.

2016-12-01

We study the quantum phases of bosons with repulsive contact interactions on a two-leg ladder in the presence of a uniform Abelian gauge field. The model realizes many interesting states, including Meissner phases, vortex fluids, vortex lattices, charge density waves, and the biased-ladder phase. Our work focuses on the subset of these states that breaks a discrete symmetry. We use density matrix renormalization group simulations to demonstrate the existence of three vortex-lattice states at different vortex densities and we characterize the phase transitions from these phases into neighboring states. Furthermore, we provide an intuitive explanation of the chiral-current reversal effect that is tied to some of these vortex lattices. We also study a charge-density-wave state that exists at 1/4 particle filling at large interaction strengths and flux values close to half a flux quantum. By changing the system parameters, this state can transition into a completely gapped vortex-lattice Mott-insulating state. We elucidate the stability of these phases against nearest-neighbor interactions on the rungs of the ladder relevant for experimental realizations with a synthetic lattice dimension. A charge-density-wave state at 1/3 particle filling can be stabilized for flux values close to half a flux quantum and for very strong on-site interactions in the presence of strong repulsion on the rungs. Finally, we analytically describe the emergence of these phases in the low-density regime, and, in particular, we obtain the boundaries of the biased-ladder phase, i.e., the phase that features a density imbalance between the legs. We make contact with recent quantum-gas experiments that realized related models and discuss signatures of these quantum states in experimentally accessible observables.

Probing the scale of new physics by Advanced LIGO/VIRGO

NASA Astrophysics Data System (ADS)

Dev, P. S. Bhupal; Mazumdar, A.

2016-05-01

We show that if the new physics beyond the standard model is associated with a first-order phase transition around 107- 108 GeV , the energy density stored in the resulting stochastic gravitational waves and the corresponding peak frequency are within the projected final sensitivity of the advanced LIGO/VIRGO detectors. We discuss some possible new physics scenarios that could arise at such energies, and in particular, the consequences for Peccei-Quinn and supersymmetry breaking scales.

Correlated Perovskites as a New Platform for Super-Broadband-Tunable Photonics

DOE PAGES

Li, Zhaoyi; Zhou, You; Qi, Hao; ...

2016-08-30

The electron-doping-induced phase transition of a prototypical perovskite SmNiO 3 induces a large and non-volatile optical refractive-index change and has great potential for active-photonic-device applications. Strong optical modulation from the visible to the mid-infrared is demonstrated using thin-film SmNiO 3. Finally, modulation of a narrow band of light is demonstrated in this paper using plasmonic metasurfaces integrated with SmNiO 3.

Special Inspector General for Iraq Reconstruction (SIGIR): The Year of Transition in Review

DTIC Science & Technology

2007-01-30

border forts have been constructed thus far, and 5 points of entry have been completed.315 SIGIR’s ground project surveys inspected 21 border forts and...Gen. Dempsey recently estimated that 20-25% of the National Police “needed to be weeded out.”367 Finally, recent surveys suggest that public...Transportation and Communications system, 33 site surveys have been completed for the communication towers between Mosul and Basrah.409 Phase II

Effect of Molecular Flexibility on the Nematic-to-Isotropic Phase Transition for Highly Biaxial Molecular Non-Symmetric Liquid Crystal Dimers

PubMed Central

Sebastián, Nerea; López, David Orencio; Diez-Berart, Sergio; de la Fuente, María Rosario; Salud, Josep; Pérez-Jubindo, Miguel Angel; Ros, María Blanca

2011-01-01

In this work, a study of the nematic (N)–isotropic (I) phase transition has been made in a series of odd non-symmetric liquid crystal dimers, the α-(4-cyanobiphenyl-4’-yloxy)-ω-(1-pyrenimine-benzylidene-4’-oxy) alkanes, by means of accurate calorimetric and dielectric measurements. These materials are potential candidates to present the elusive biaxial nematic (NB) phase, as they exhibit both molecular biaxiality and flexibility. According to the theory, the uniaxial nematic (NU)–isotropic (I) phase transition is first-order in nature, whereas the NB–I phase transition is second-order. Thus, a fine analysis of the critical behavior of the N–I phase transition would allow us to determine the presence or not of the biaxial nematic phase and understand how the molecular biaxiality and flexibility of these compounds influences the critical behavior of the N–I phase transition. PMID:28824100

Fresnel diffractograms from pure-phase wave fields under perfect spatio-temporal coherence: Non-linear/non-local aspects and far-field behavior.

PubMed

Trost, F; Hahn, S; Müller, Y; Gasilov, S; Hofmann, R; Baumbach, T

2017-12-18

Recently, the diffractogram, that is, the Fourier transform of the intensity contrast induced by Fresnel free-space propagation of a given (exit) wave field, was investigated non-perturbatively in the phase-scaling factor S (controlling the strength of phase variation) for the special case of a Gaussian phase of width [Formula: see text]. Surprisingly, an additional low-frequency zero σ *  = σ * (S, F) >0 emerges critically at small Fresnel number F (σ proportional to square of 2D spatial frequency). Here, we study the S-scaling behavior of the entire diffractogram. We identify a valley of maximum S-scaling linearity in the F - σ plane corresponding to a nearly universal physical frequency ξml = (0:143 ± 0.001)w -1/2 . Large values of F (near field) are shown to imply S-scaling linearity for low σ but nowhere else (overdamped non-oscillatory). In contrast, small F values (far field) entail distinct, sizable s-bands of good S-scaling linearity (damped oscillatory). These bands also occur in simulated diffractograms induced by a complex phase map (Lena). The transition from damped oscillatory to overdamped non-oscillatory diffractograms is shown to be a critical phenomenon for the Gaussian case. We also give evidence for the occurrence of this transition in an X-ray imaging experiment. Finally, we show that the extreme far-field limit generates a σ-universal diffractogram under certain requirements on the phase map: information on phase shape then is solely encoded in S-scaling behavior.

Vortex phase diagram of the layered superconductor Cu0.03TaS2 for H is parallel to c.

PubMed

Zhu, X D; Lu, J C; Sun, Y P; Pi, L; Qu, Z; Ling, L S; Yang, Z R; Zhang, Y H

2010-12-22

The magnetization and anisotropic electrical transport properties have been measured in high quality Cu(0.03)TaS(2) single crystals. A pronounced peak effect has been observed, indicating that high quality and homogeneity are vital to the peak effect. A kink has been observed in the magnetic field, H, dependence of the in-plane resistivity ρ(ab) for H is parallel to c, which corresponds to a transition from activated to diffusive behavior of the vortex liquid phase. In the diffusive regime of the vortex liquid phase, the in-plane resistivity ρ(ab) is proportional to H(0.3), which does not follow the Bardeen-Stephen law for free flux flow. Finally, a simplified vortex phase diagram of Cu(0.03)TaS(2) for H is parallel to c is given.

Successive field-induced transitions in BiFeO 3 around room temperature

DOE PAGES

Kawachi, Shiro; Miyake, Atsushi; Ito, Toshimitsu; ...

2017-07-21

The effects of high magnetic fields applied perpendicular to the spontaneous ferroelectric polarization on single crystals of BiFeO 3 were investigated in this paper through magnetization, magnetostriction, and neutron diffraction measurements. The magnetostriction measurements revealed lattice distortion of 2 x 10 -5 during the reorientation process of the cycloidal spin order by applied magnetic fields. Furthermore, anomalous changes in magnetostriction and electric polarization at a larger field demonstrate an intermediate phase between cycloidal and canted antiferromagnetic states, where a large magnetoelectric effect was observed. Neutron diffraction measurements clarified that incommensurate spin modulation along the [110] hex direction in the cycloidalmore » phase becomes Q = 0 commensurate along this direction in the intermediate phase. Finally, theoretical calculations based on the standard spin Hamiltonian of this material suggest an antiferromagnetic cone-type spin order in the intermediate phase.« less

Quantum phases of two-component bosons with spin-orbit coupling in optical lattices

NASA Astrophysics Data System (ADS)

Yamamoto, Daisuke; Spielman, I. B.; Sá de Melo, C. A. R.

2017-12-01

Ultracold bosons in optical lattices are one of the few systems where bosonic matter is known to exhibit strong correlations. Here we push the frontier of our understanding of interacting bosons in optical lattices by adding synthetic spin-orbit coupling, and show that new kinds of density and chiral orders develop. The competition between the optical lattice period and the spin-orbit coupling length—which can be made comparable in experiments—along with the spin hybridization induced by a transverse field (i.e., Rabi coupling) and interparticle interactions create a rich variety of quantum phases including uniform, nonuniform, and phase-separated superfluids, as well as Mott insulators. The spontaneous symmetry-breaking phenomena at the transitions between them are explained by a two-order-parameter Ginzburg-Landau model with multiparticle umklapp processes. Finally, in order to characterize each phase, we calculated their experimentally measurable crystal momentum distributions.

Freezing transition of the directed polymer in a 1+d random medium: Location of the critical temperature and unusual critical properties

NASA Astrophysics Data System (ADS)

Monthus, Cécile; Garel, Thomas

2006-07-01

In dimension d⩾3 , the directed polymer in a random medium undergoes a phase transition between a free phase at high temperature and a low-temperature disorder-dominated phase. For the latter phase, Fisher and Huse have proposed a droplet theory based on the scaling of the free-energy fluctuations ΔF(l)˜lθ at scale l . On the other hand, in related growth models belonging to the Kardar-Parisi-Zhang universality class, Forrest and Tang have found that the height-height correlation function is logarithmic at the transition. For the directed polymer model at criticality, this translates into logarithmic free-energy fluctuations ΔFTc(l)˜(lnl)σ with σ=1/2 . In this paper, we propose a droplet scaling analysis exactly at criticality based on this logarithmic scaling. Our main conclusion is that the typical correlation length ξ(T) of the low-temperature phase diverges as lnξ(T)˜[-ln(Tc-T)]1/σ˜[-ln(Tc-T)]2 , instead of the usual power law ξ(T)˜(Tc-T)-ν . Furthermore, the logarithmic dependence of ΔFTc(l) leads to the conclusion that the critical temperature Tc actually coincides with the explicit upper bound T2 derived by Derrida and co-workers, where T2 corresponds to the temperature below which the ratio ZL2¯/(ZL¯)2 diverges exponentially in L . Finally, since the Fisher-Huse droplet theory was initially introduced for the spin-glass phase, we briefly mention the similarities with and differences from the directed polymer model. If one speculates that the free energy of droplet excitations for spin glasses is also logarithmic at Tc , one obtains a logarithmic decay for the mean square correlation function at criticality, C2(r)¯˜1/(lnr)σ , instead of the usual power law 1/rd-2+η .

Quenchable water-rich, aluminous post-stishovite: implications for seismic anomalies in the mid-mantle

NASA Astrophysics Data System (ADS)

Myhill, R.; Frost, D. J.; Panero, W. R.; Boffa Ballaran, T.; Miyajima, N.; Bureau, H.; Raepsaet, C.; Siersch, N.; Kohn, S. C.

2016-12-01

At mid-mantle pressures, stishovite undergoes a displacive phase transition to the calcium chloride structure. It has been argued that softening accompanying this phase transition leads to very low seismic velocities and that silica-rich materials in the lower mantle may therefore be effective scatterers of seismic energy. The post-stishovite phase is also a promising candidate for water storage in the lower mantle, as it is both stable at very high temperatures and isostructural with the high pressure hydrous phases delta-AlOOH and Phase H. Pure SiO2 post-stishovite is unquenchable, making ex-situ characterisation impossible. In this study, we exploit the stabilisation of the post-stishovite structure due to alumina incorporation to synthesise and quench large crystals of post-stishovite. Single crystals are characterised by X-ray diffraction, TEM and Raman spectroscopy, and water contents are analysed with elastic recoil detection and FTIR. We show that water contents in our post-stishovite crystals are consistent with an SiO2-AlOOH solid solution, containing 3-7 times more water per atom of aluminium than stishovite. Our results suggest that almost 1 wt % H2O could be incorporated into post-stishovite crystals in lower mantle mafic rocks. We use ab-initio simulations to investigate the effect of pressure on the mechanism of hydroxyl incorporation into aluminous stishovite and post-stishovite. Finally, we discuss the potential for post-stishovite to affect seismic velocities in the lower mantle. In addition to the scattering potential of the phase transition, patchy low velocity layers in the mid-mantle might represent regions where hydrous melts are reacting with post-stishovite. In the lowermost mantle, transformation of post-stishovite to seifertite could result in the formation of a hydrous melt that might explain seismologically observed ultra low velocity zones.

Modulations of eye movement patterns by spatial filtering during the learning and testing phases of an old/new face recognition task.

PubMed

Lemieux, Chantal L; Collin, Charles A; Nelson, Elizabeth A

2015-02-01

In two experiments, we examined the effects of varying the spatial frequency (SF) content of face images on eye movements during the learning and testing phases of an old/new recognition task. At both learning and testing, participants were presented with face stimuli band-pass filtered to 11 different SF bands, as well as an unfiltered baseline condition. We found that eye movements varied significantly as a function of SF. Specifically, the frequency of transitions between facial features showed a band-pass pattern, with more transitions for middle-band faces (≈5-20 cycles/face) than for low-band (≈<5 cpf) or high-band (≈>20 cpf) ones. These findings were similar for the learning and testing phases. The distributions of transitions across facial features were similar for the middle-band, high-band, and unfiltered faces, showing a concentration on the eyes and mouth; conversely, low-band faces elicited mostly transitions involving the nose and nasion. The eye movement patterns elicited by low, middle, and high bands are similar to those previous researchers have suggested reflect holistic, configural, and featural processing, respectively. More generally, our results are compatible with the hypotheses that eye movements are functional, and that the visual system makes flexible use of visuospatial information in face processing. Finally, our finding that only middle spatial frequencies yielded the same number and distribution of fixations as unfiltered faces adds more evidence to the idea that these frequencies are especially important for face recognition, and reveals a possible mediator for the superior performance that they elicit.

Size-dependent structural transformations of hematite nanoparticles. 1. Phase transition.

PubMed

Chernyshova, I V; Hochella, M F; Madden, A S

2007-04-14

Using Fourier Transform InfraRed (FTIR) spectroscopy, Raman spectroscopy, X-ray diffraction (XRD), and Transmission Electron Microscopy (TEM), we characterize the structure and/or morphology of hematite (alpha-Fe(2)O(3)) particles with sizes of 7, 18, 39 and 120 nm. It is found that these nanoparticles possess maghemite (gamma-Fe(2)O(3))-like defects in the near surface regions, to which a vibrational mode at 690 cm(-1), active both in FTIR and Raman spectra, is assigned. The fraction of the maghemite-like defects and the net lattice disorder are inversely related to the particle size. However, the effect is opposite for nanoparticles grown by sintering of smaller hematite precursors under conditions when the formation of a uniform hematite-like structure throughout the aggregate is restricted by kinetic issues. This means that not only particle size but also the growth kinetics determines the structure of the nanoparticles. The observed structural changes are interpreted as size-induced alpha-Fe(2)O(3)<-->gamma-Fe(2)O(3) phase transitions. We develop a general model that considers spinel defects and absorbed/adsorbed species (in our case, hydroxyls) as dominant controls on structural changes with particle size in hematite nanoparticles, including solid-state phase transitions. These changes are represented by trajectories in a phase diagram built in three phase coordinates-concentrations of spinel defects, absorbed impurities, and adsorbed species. The critical size for the onset of the alpha-->gamma phase transition depends on the particle environment, and for the dry particles used in this study is about 40 nm. The model supports the existence of intermediate phases (protohematite and hydrohematite) during dehydration of goethite. We also demonstrate that the hematite structure is significantly less defective when the nanoparticles are immersed in water or KBr matrix, which is explained by the effects of the electrochemical double layer and increased rigidity of the particle environment. Finally, we revise the problem of applicability of IR spectroscopy to the lattice vibrations of hematite nanoparticles, demonstrating that structural comparison of different samples is much more reliable if it is based on the E(u) band at about 460 cm(-1) and the spinel band at 690 cm(-1), instead of the A(2u)/E(u) band at about 550 cm(-1) used in previous work. The new methodology is applied to analysis of the reported IR spectra of Martian hematite.

Collapsing lattice animals and lattice trees in two dimensions

NASA Astrophysics Data System (ADS)

Hsu, Hsiao-Ping; Grassberger, Peter

2005-06-01

We present high statistics simulations of weighted lattice bond animals and lattice trees on the square lattice, with fugacities for each non-bonded contact and for each bond between two neighbouring monomers. The simulations are performed using a newly developed sequential sampling method with resampling, very similar to the pruned-enriched Rosenbluth method (PERM) used for linear chain polymers. We determine with high precision the line of second-order transitions from an extended to a collapsed phase in the resulting two-dimensional phase diagram. This line includes critical bond percolation as a multicritical point, and we verify that this point divides the line into different universality classes. One of them corresponds to the collapse driven by contacts and includes the collapse of (weakly embeddable) trees. There is some evidence that the other is subdivided again into two parts with different universality classes. One of these (at the far side from collapsing trees) is bond driven and is represented by the Derrida-Herrmann model of animals having bonds only (no contacts). Between the critical percolation point and this bond-driven collapse seems to be an intermediate regime, whose other end point is a multicritical point P* where a transition line between two collapsed phases (one bond driven and the other contact driven) sparks off. This point P* seems to be attractive (in the renormalization group sense) from the side of the intermediate regime, so there are four universality classes on the transition line (collapsing trees, critical percolation, intermediate regime, and Derrida-Herrmann). We obtain very precise estimates for all critical exponents for collapsing trees. It is already harder to estimate the critical exponents for the intermediate regime. Finally, it is very difficult to obtain with our method good estimates of the critical parameters of the Derrida-Herrmann universality class. As regards the bond-driven to contact-driven transition in the collapsed phase, we have some evidence for its existence and rough location, but no precise estimates of critical exponents.

Finite element techniques in computational time series analysis of turbulent flows

NASA Astrophysics Data System (ADS)

Horenko, I.

2009-04-01

In recent years there has been considerable increase of interest in the mathematical modeling and analysis of complex systems that undergo transitions between several phases or regimes. Such systems can be found, e.g., in weather forecast (transitions between weather conditions), climate research (ice and warm ages), computational drug design (conformational transitions) and in econometrics (e.g., transitions between different phases of the market). In all cases, the accumulation of sufficiently detailed time series has led to the formation of huge databases, containing enormous but still undiscovered treasures of information. However, the extraction of essential dynamics and identification of the phases is usually hindered by the multidimensional nature of the signal, i.e., the information is "hidden" in the time series. The standard filtering approaches (like f.~e. wavelets-based spectral methods) have in general unfeasible numerical complexity in high-dimensions, other standard methods (like f.~e. Kalman-filter, MVAR, ARCH/GARCH etc.) impose some strong assumptions about the type of the underlying dynamics. Approach based on optimization of the specially constructed regularized functional (describing the quality of data description in terms of the certain amount of specified models) will be introduced. Based on this approach, several new adaptive mathematical methods for simultaneous EOF/SSA-like data-based dimension reduction and identification of hidden phases in high-dimensional time series will be presented. The methods exploit the topological structure of the analysed data an do not impose severe assumptions on the underlying dynamics. Special emphasis will be done on the mathematical assumptions and numerical cost of the constructed methods. The application of the presented methods will be first demonstrated on a toy example and the results will be compared with the ones obtained by standard approaches. The importance of accounting for the mathematical assumptions used in the analysis will be pointed up in this example. Finally, applications to analysis of meteorological and climate data will be presented.

High pressure dielectric studies on the structural and orientational glass.

PubMed

Kaminska, E; Tarnacka, M; Jurkiewicz, K; Kaminski, K; Paluch, M

2016-02-07

High pressure dielectric studies on the H-bonded liquid D-glucose and Orientationally Disordered Crystal (ODIC) 1,6-anhydro-D-glucose (levoglucosan) were carried out. It was shown that in both compounds, the structural relaxation is weakly sensitive to compression. It is well reflected in the low pressure coefficient of the glass transition and orientational glass transition temperatures which is equal to 60 K/GPa for both D-glucose and 1,6-anhydro-D-glucose. Although it should be noted that ∂Tg(0)/∂p evaluated for the latter compound seems to be enormously high with respect to other systems forming ODIC phase. We also found that the shape of the α-loss peak stays constant for the given relaxation time independently on the thermodynamic condition. Consequently, the Time Temperature Pressure (TTP) rule is satisfied. This experimental finding seems to be quite intriguing since the TTP rule was shown to work well in the van der Waals liquids, while in the strongly associating compounds, it is very often violated. We have also demonstrated that the sensitivity of the structural relaxation process to the temperature change measured by the steepness index (mp) drops with pressure. Interestingly, this change is much more significant in the case of D-glucose with respect to levoglucosan, where the fragility changes only slightly with compression. Finally, kinetics of ODIC-crystal phase transition was studied at high compression. It is worth mentioning that in the recent paper, Tombari and Johari [J. Chem. Phys. 142, 104501 (2015)] have shown that ODIC phase in 1,6-anhydro-D-glucose is stable in the wide range of temperatures and there is no tendency to form more ordered phase at ambient pressure. On the other hand, our isochronal measurements performed at varying thermodynamic conditions indicated unquestionably that the application of pressure favors solid (ODIC)-solid (crystal) transition in 1,6-anhydro-D-glucose. This result mimics the impact of pressure on the crystallization of fully disordered supercooled van der Waals liquids.

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

NASA Astrophysics Data System (ADS)

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.

Structural phase transition in d-benzil characterised by capacitance measurements and neutron powder diffraction

NASA Astrophysics Data System (ADS)

Goossens, D. J.; Wu, Xiaodong; Prior, M.

2005-12-01

The ferroelectric phase transition in deuterated benzil, C 14H 10O 2, has been studied using capacitance measurements and neutron powder diffraction. Hydrogenous benzil shows a phase transition at 83.5 K from a high temperature P3 121 phase to a cell-doubled P2 1 phase. The phase transition in d-benzil occurs at 88.1 K, a small isotope effect. Neutron powder diffraction was consistent with a low temperature phase of space group P2 1. Upon deuteration the transition remained first-order and the dynamics of the phenyl ring dominated the behaviour. The isotope effect can be attributed to the difference in mass and moment of inertia between C 6H 5 and C 6D 5.

Mechanism and microstructures in Ga2O3 pseudomartensitic solid phase transition.

PubMed

Zhu, Sheng-Cai; Guan, Shu-Hui; Liu, Zhi-Pan

2016-07-21

Solid-to-solid phase transition, although widely exploited in making new materials, challenges persistently our current theory for predicting its complex kinetics and rich microstructures in transition. The Ga2O3α-β phase transformation represents such a common but complex reaction with marked change in cation coordination and crystal density, which was known to yield either amorphous or crystalline products under different synthetic conditions. Here we, via recently developed stochastic surface walking (SSW) method, resolve for the first time the atomistic mechanism of Ga2O3α-β phase transformation, the pathway of which turns out to be the first reaction pathway ever determined for a new type of diffusionless solid phase transition, namely, pseudomartensitic phase transition. We demonstrate that the sensitivity of product crystallinity is caused by its multi-step, multi-type reaction pathway, which bypasses seven intermediate phases and involves all types of elementary solid phase transition steps, i.e. the shearing of O layers (martensitic type), the local diffusion of Ga atoms (reconstructive type) and the significant lattice dilation (dilation type). While the migration of Ga atoms across the close-packed O layers is the rate-determining step and yields "amorphous-like" high energy intermediates, the shearing of O layers contributes to the formation of coherent biphase junctions and the presence of a crystallographic orientation relation, (001)α//(201[combining macron])β + [120]α//[13[combining macron]2]β. Our experiment using high-resolution transmission electron microscopy further confirms the theoretical predictions on the atomic structure of biphase junction and the formation of (201[combining macron])β twin, and also discovers the late occurrence of lattice expansion in the nascent β phase that grows out from the parent α phase. By distinguishing pseudomartensitic transition from other types of mechanisms, we propose general rules to predict the product crystallinity of solid phase transition. The new knowledge on the kinetics of pseudomartensitic transition complements the theory of diffusionless solid phase transition.

Solubilization of Tea Seed Oil in a Food-Grade Water-Dilutable Microemulsion

PubMed Central

Deng, Lingli; Que, Fei; Wei, Hewen; Xu, Guangwei; Dong, Xiaowei; Zhang, Hui

2015-01-01

Food-grade microemulsions containing oleic acid, ethanol, Tween 20, and water were formulated as a carrier system for tea seed oil (Camellia oleifera Abel.). The effect of ethanol on the phase behavior of the microemulsion system was clearly reflected in pseudo-ternary diagrams. The solubilization capacity and solubilization efficiency of tea seed oil dispersions were measured along the dilution line at a 70/30 surfactant/oil mass ratio with Tween 20 as the surfactant and oleic acid and ethanol (1:3, w/w) as the oil phase. The dispersed phase of the microemulsion (1.5% weight ratio of tea seed oil to the total amount of oil, surfactant, and tea seed oil) could be fully diluted with water without phase separation. Differential scanning calorimetry and viscosity measurements indicated that both the carrier and solubilized systems underwent a similar microstructure transition upon dilution. The dispersion phases gradually inverted from the water-in-oil phase (< 35% water) to the bicontinuous phase (40–45% water) and finally to the oil-in-water phase (> 45% water) along the dilution line. PMID:25996147

Solubilization of tea seed oil in a food-grade water-dilutable microemulsion.

PubMed

Deng, Lingli; Que, Fei; Wei, Hewen; Xu, Guangwei; Dong, Xiaowei; Zhang, Hui

2015-01-01

Food-grade microemulsions containing oleic acid, ethanol, Tween 20, and water were formulated as a carrier system for tea seed oil (Camellia oleifera Abel.). The effect of ethanol on the phase behavior of the microemulsion system was clearly reflected in pseudo-ternary diagrams. The solubilization capacity and solubilization efficiency of tea seed oil dispersions were measured along the dilution line at a 70/30 surfactant/oil mass ratio with Tween 20 as the surfactant and oleic acid and ethanol (1:3, w/w) as the oil phase. The dispersed phase of the microemulsion (1.5% weight ratio of tea seed oil to the total amount of oil, surfactant, and tea seed oil) could be fully diluted with water without phase separation. Differential scanning calorimetry and viscosity measurements indicated that both the carrier and solubilized systems underwent a similar microstructure transition upon dilution. The dispersion phases gradually inverted from the water-in-oil phase (< 35% water) to the bicontinuous phase (40-45% water) and finally to the oil-in-water phase (> 45% water) along the dilution line.

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

NASA Astrophysics Data System (ADS)

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 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. Electronic supplementary information (ESI) available: Detailed computational method; structural data of T'' MoS2; DOS of the T'' MoS2 phase under different strains; orbital energy of T'' MoS2 under different strains; electronic structures for all other five MX2 in the T'' phase; edge states of T'' MoS2. See DOI: 10.1039/c5nr07715j

Apparent critical phenomena in the superionic phase transition of Cu 2-xSe

DOE PAGES

Kang, Stephen Dongmin; Danilkin, Sergey A.; Aydemir, Umut; ...

2016-01-11

The superionic phase transition ofmore » $${\\mathrm{Cu}}_{2-x}\\mathrm{Se}$$ accompanies drastic changes in transport properties. The Seebeck coefficient increases sharply while the electrical conductivity and thermal diffusivity drops. Such behavior has previously been attributed to critical phenomena under the assumption of a continuous phase transition. However, applying Landau's criteria suggests that the transition should be first order. Using the phase diagram that is consistent with a first order transition, we show that the observed transport properties and heat capacity curves can be accounted for and modeled with good agreement. The apparent critical phenomena is shown to be a result of compositional degree-of-freedom. In conclusion, understanding of the phase transition allows to explain the enhancement in the thermoelectric figure-of-merit that is accompanied with the transition.« less

Deviatoric stress-induced phase transitions in diamantane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Fan; Lin, Yu; Dahl, Jeremy E. P.

2014-10-21

The high-pressure behavior of diamantane was investigated using angle-dispersive synchrotron x-ray diffraction (XRD) and Raman spectroscopy in diamond anvil cells. Our experiments revealed that the structural transitions in diamantane were extremely sensitive to deviatoric stress. Under non-hydrostatic conditions, diamantane underwent a cubic (space group Pa3) to a monoclinic phase transition at below 0.15 GPa, the lowest pressure we were able to measure. Upon further compression to 3.5 GPa, this monoclinic phase transformed into another high-pressure monoclinic phase which persisted to 32 GPa, the highest pressure studied in our experiments. However, under more hydrostatic conditions using silicone oil as a pressuremore » medium, the transition pressure to the first high-pressure monoclinic phase was elevated to 7–10 GPa, which coincided with the hydrostatic limit of silicone oil. In another experiment using helium as a pressure medium, no phase transitions were observed to the highest pressure we reached (13 GPa). In addition, large hysteresis and sluggish transition kinetics were observed upon decompression. Over the pressure range where phase transitions were confirmed by XRD, only continuous changes in the Raman spectra were observed. This suggests that these phase transitions are associated with unit cell distortions and modifications in molecular packing rather than the formation of new carbon-carbon bonds under pressure.« less

Weak crystallization theory of metallic alloys

DOE PAGES

Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

2016-06-20

Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theorymore » cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. In this paper, we identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. Finally, as an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.« less

Studies on phase transition temperature of rare earth niobates Ln3NbO7 (Ln = Pr, Sm, Eu) with orthorhombic fluorite-related structure

NASA Astrophysics Data System (ADS)

Hinatsu, Yukio; Doi, Yoshihiro

2017-06-01

The phase transition of ternary rare earth niobates Ln3NbO7 (Ln = Pr, Sm, Eu) was investigated by the measurements of high-temperature and low-temperature X-ray diffraction, differential scanning calorimetry (DSC) and differential thermal analysis (DTA). These compounds crystallize in an orthorhombic superstructure derived from the structure of cubic fluorite (space group Pnma for Ln = Pr; C2221 for Ln = Sm, Eu). Sm3NbO7 undergoes the phase transition when the temperature is increased through ca. 1080 K and above the transition temperature, its structure is well described with space group Pnma. For Eu3NbO7, the phase transition was not observed up to 1273 K Pr3NbO7 indicates the phase transition when the temperature is increased through ca. 370 K. The change of the phase transition temperature against the Ln ionic radius for Ln3NbO7 is quite different from those for Ln3MO7 (M = Mo, Ru, Re, Os, or Ir), i.e., no systematic relationship between the phase transition temperature and the Ln ionic radius has been observed for Ln3NbO7 compounds.

Order parameter free enhanced sampling of the vapor-liquid transition using the generalized replica exchange method.

PubMed

Lu, Qing; Kim, Jaegil; Straub, John E

2013-03-14

The generalized Replica Exchange Method (gREM) is extended into the isobaric-isothermal ensemble, and applied to simulate a vapor-liquid phase transition in Lennard-Jones fluids. Merging an optimally designed generalized ensemble sampling with replica exchange, gREM is particularly well suited for the effective simulation of first-order phase transitions characterized by "backbending" in the statistical temperature. While the metastable and unstable states in the vicinity of the first-order phase transition are masked by the enthalpy gap in temperature replica exchange method simulations, they are transformed into stable states through the parameterized effective sampling weights in gREM simulations, and join vapor and liquid phases with a succession of unimodal enthalpy distributions. The enhanced sampling across metastable and unstable states is achieved without the need to identify a "good" order parameter for biased sampling. We performed gREM simulations at various pressures below and near the critical pressure to examine the change in behavior of the vapor-liquid phase transition at different pressures. We observed a crossover from the first-order phase transition at low pressure, characterized by the backbending in the statistical temperature and the "kink" in the Gibbs free energy, to a continuous second-order phase transition near the critical pressure. The controlling mechanisms of nucleation and continuous phase transition are evident and the coexistence properties and phase diagram are found in agreement with literature results.

Mixed-order phase transition in a colloidal crystal

PubMed Central

Tierno, Pietro; Casademunt, Jaume

2017-01-01

Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and nonequilibrium systems, but their experimental observation has remained elusive. Here, we analytically predict and experimentally realize a mixed-order equilibrium phase transition. Specifically, a discontinuous solid–solid transition in a 2D crystal of paramagnetic colloidal particles is induced by a magnetic field H. At the transition field Hs, the energy landscape of the system becomes completely flat, which causes diverging fluctuations and correlation length ξ∝|H2−Hs2|−1/2. Mean-field critical exponents are predicted, since the upper critical dimension of the transition is du=2. Our colloidal system provides an experimental test bed to probe the unconventional properties of mixed-order phase transitions. PMID:29158388

Application of global kinetic models to HMX beta-delta transition and cookoff processes.

PubMed

Wemhoff, Aaron P; Burnham, Alan K; Nichols, Albert L

2007-03-08

The reduction of the number of reactions in kinetic models for both the HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) beta-delta phase transition and thermal cookoff provides an attractive alternative to traditional multi-stage kinetic models due to reduced calibration effort requirements. In this study, we use the LLNL code ALE3D to provide calibrated kinetic parameters for a two-reaction bidirectional beta-delta HMX phase transition model based on Sandia instrumented thermal ignition (SITI) and scaled thermal explosion (STEX) temperature history curves, and a Prout-Tompkins cookoff model based on one-dimensional time to explosion (ODTX) data. Results show that the two-reaction bidirectional beta-delta transition model presented here agrees as well with STEX and SITI temperature history curves as a reversible four-reaction Arrhenius model yet requires an order of magnitude less computational effort. In addition, a single-reaction Prout-Tompkins model calibrated to ODTX data provides better agreement with ODTX data than a traditional multistep Arrhenius model and can contain up to 90% fewer chemistry-limited time steps for low-temperature ODTX simulations. Manual calibration methods for the Prout-Tompkins kinetics provide much better agreement with ODTX experimental data than parameters derived from differential scanning calorimetry (DSC) measurements at atmospheric pressure. The predicted surface temperature at explosion for STEX cookoff simulations is a weak function of the cookoff model used, and a reduction of up to 15% of chemistry-limited time steps can be achieved by neglecting the beta-delta transition for this type of simulation. Finally, the inclusion of the beta-delta transition model in the overall kinetics model can affect the predicted time to explosion by 1% for the traditional multistep Arrhenius approach, and up to 11% using a Prout-Tompkins cookoff model.

Ferroelectric to paraelectric phase transition mechanism in poled PVDF-TrFE copolymer films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pramanick, A.; T. Misture, Scott; Osti, Naresh C.

2017-11-01

Direct experimental insights into the structural and dynamical mechanisms for ferroelectric β to paraelectric α phase transition in a poled PVDF-TrFE copolymer is obtained from in situ x-ray diffraction and quasielastic neutron scattering measurements at high temperatures. It is observed that the β-to-α phase transition proceeds through two energetically distinct processes, which are identified here as the nucleation and growth of an intermediate γ phase with random skew linkages followed by a γ-to-α transition. The two energetically distinct microscopic processes can explain the stages of evolution for β-to-α phase transition observed from heat flow measurements.

Magnetocaloric effects and electrical resistivity of Ni2Mn0.55CoxCr0.45-xGa - A Heusler alloy system exhibiting a partially-decoupled first-order phase transition

NASA Astrophysics Data System (ADS)

Brock, Jeffrey; Khan, Mahmud

2018-05-01

The phase transitions and associated magnetocaloric properties of the Ni2Mn0.55CoxCr0.45-xGa (0 ≤ x ≤ 0.25) Heusler alloy system have been investigated. All samples exhibit a first-order martensitic phase transition, evidenced by a sharp drop in the resistivity versus temperature data and a thermomagnetic irreversibility in the dc magnetization data of the respective samples. Large magnetic entropy changes have also been observed near the phase transitions. The martensitic transformation temperature increases as Cr is partially replaced with Co. Additionally, this substitution leads to a partial decoupling of the magnetic and structural phase transitions, dramatically suppressing any magnetic hysteresis losses. Furthermore, the change in electrical resistivity during the phase transition remains relatively constant across the system, despite major changes in the degree of structural disorder and magnetostructural phase transition coupling. Detailed experimental results and conjectures as to the origin of these behaviors have been provided.

Microscopic Description of Thermodynamics of Lipid Membrane at Liquid-Gel Phase Transition

NASA Astrophysics Data System (ADS)

Kheyfets, B.; Galimzyanov, T.; Mukhin, S.

2018-05-01

A microscopic model of the lipid membrane is constructed that provides analytically tractable description of the physical mechanism of the first order liquid-gel phase transition. We demonstrate that liquid-gel phase transition is cooperative effect of the three major interactions: inter-lipid van der Waals attraction, steric repulsion and hydrophobic tension. The model explicitly shows that temperature-dependent inter-lipid steric repulsion switches the system from liquid to gel phase when the temperature decreases. The switching manifests itself in the increase of lateral compressibility of the lipids as the temperature decreases, making phase with smaller area more preferable below the transition temperature. The model gives qualitatively correct picture of abrupt change at transition temperature of the area per lipid, membrane thickness and volume per hydrocarbon group in the lipid chains. The calculated dependence of phase transition temperature on lipid chain length is in quantitative agreement with experimental data. Steric repulsion between the lipid molecules is shown to be the only driver of the phase transition, as van der Waals attraction and hydrophobic tension are weakly temperature dependent.

Lattice parameters and structural phase transition of lanthanum titanate perovskite, La0.68(Ti0.95,Al0.05)O3.

PubMed

Ali, Roushown; Yashima, Masatomo

2003-05-01

Lattice parameters and the structural phase transition of La(0.68)(Ti(0.95),Al(0.05))O(3) have been investigated in situ in the temperature range 301-689 K by the synchrotron radiation powder diffraction (SR-PD) technique. High-angular-resolution SR-PD is confirmed to be a powerful technique for determining precise lattice parameters around a phase-transition temperature. The title compound exhibits a reversible phase transition between orthorhombic and tetragonal phases at 622.3 +/- 0.6 K. The following results were obtained: (i) the lattice parameters increased continuously with temperature, while the b/a ratio decreased continuously with temperature and became unity at the orthorhombic-tetragonal transition point; (ii) no hysteresis was observed between the lattice-parameter values measured on heating and on cooling. Results (i) and (ii) indicate that the orthorhombic-tetragonal phase transition is continuous and reversible. The b/a ratio is found to exhibit a more continuous temperature evolution than does the order parameter for a typical second-order phase transition based on Landau theory.

Gravitation waves from QCD and electroweak phase transitions

NASA Astrophysics Data System (ADS)

Chen, Yidian; Huang, Mei; Yan, Qi-Shu

2018-05-01

We investigate the gravitation waves produced from QCD and electroweak phase transitions in the early universe by using a 5-dimension holographic QCD model and a holographic technicolor model. The dynamical holographic QCD model is to describe the pure gluon system, where a first order confinement-deconfinement phase transition can happen at the critical temperature around 250 MeV. The minimal holographic technicolor model is introduced to model the strong dynamics of electroweak, it can give a first order electroweak phase transition at the critical temperature around 100-360 GeV. We find that for both GW signals produced from QCD and EW phase transitions, in the peak frequency region, the dominant contribution comes from the sound waves, while away from the peak frequency region the contribution from the bubble collision is dominant. The peak frequency of gravitation wave determined by the QCD phase transition is located around 10-7 Hz which is within the detectability of FAST and SKA, and the peak frequency of gravitational wave predicted by EW phase transition is located at 0.002 - 0.007 Hz, which might be detectable by BBO, DECIGO, LISA and ELISA.

Amorphous-amorphous transition in a porous coordination polymer.

PubMed

Ohtsu, Hiroyoshi; Bennett, Thomas D; Kojima, Tatsuhiro; Keen, David A; Niwa, Yasuhiro; Kawano, Masaki

2017-07-04

The amorphous state plays a key role in porous coordination polymer and metal-organic framework phase transitions. We investigate a crystalline-to-amorphous-to-amorphous-to-crystalline (CAAC) phase transition in a Zn based coordination polymer, by X-ray absorption fine structure (XAFS) and X-ray pair distribution function (PDF) analysis. We show that the system shows two distinct amorphous phases upon heating. The first involves a reversible transition to a desolvated form of the original network, followed by an irreversible transition to an intermediate phase which has elongated Zn-I bonds.

Calorimetric and spectroscopic studies of the thermotropic phase behavior of lipid bilayer model membranes composed of a homologous series of linear saturated phosphatidylserines.

PubMed Central

Lewis, R N; McElhaney, R N

2000-01-01

The thermotropic phase behavior of lipid bilayer model membranes composed of the even-numbered, N-saturated 1,2-diacyl phosphatidylserines was studied by differential scanning calorimetry and by Fourier-transform infrared and (31)P-nuclear magnetic resonance spectroscopy. At pH 7.0, 0.1 M NaCl and in the absence of divalent cations, aqueous dispersions of these lipids, which have not been incubated at low temperature, exhibit a single calorimetrically detectable phase transition that is fully reversible, highly cooperative, and relatively energetic, and the transition temperatures and enthalpies increase progressively with increases in hydrocarbon chain length. Our spectroscopic observations confirm that this thermal event is a lamellar gel (L(beta))-to-lamellar liquid crystalline (L(alpha)) phase transition. However, after low temperature incubation, the L(beta)/L(alpha) phase transition of dilauroyl phosphatidylserine is replaced by a higher temperature, more enthalpic, and less cooperative phase transition, and an additional lower temperature, less enthalpic, and less cooperative phase transition appears in the longer chain phosphatidylserines. Our spectroscopic results indicate that this change in thermotropic phase behavior when incubated at low temperatures results from the conversion of the L(beta) phase to a highly ordered lamellar crystalline (L(c)) phase. Upon heating, the L(c) phase of dilauroyl phosphatidylserine converts directly to the L(alpha) phase at a temperature slightly higher than that of its original L(beta)/L(alpha) phase transition. Calorimetrically, this process is manifested by a less cooperative but considerably more energetic, higher-temperature phase transition, which replaces the weaker L(beta)/L(alpha) phase transition alluded to above. However, with the longer chain compounds, the L(c) phase first converts to the L(beta) phase at temperatures some 10-25 degrees C below that at which the L(beta) phase converts to the L(alpha) phase. Our results also suggest that shorter chain homologues form L(c) phases that are structurally related to, but more ordered than, those formed by the longer chain homologues, but that these L(c) phases are less ordered than those formed by other phospholipids. These studies also suggest that polar/apolar interfaces of the phosphatidylserine bilayers are more hydrated than those of other glycerolipid bilayers, possibly because of interactions between the polar headgroup and carbonyl groups of the fatty acyl chains. PMID:11023908

Two-order parameters theory of the metal-insulator phase transition kinetics in the magnetic field

NASA Astrophysics Data System (ADS)

Dubovskii, L. B.

2018-05-01

The metal-insulator phase transition is considered within the framework of the Ginzburg-Landau approach for the phase transition described with two coupled order parameters. One of the order parameters is the mass density which variation is responsible for the origin of nonzero overlapping of the two different electron bands and the appearance of free electron carriers. This transition is assumed to be a first-order phase one. The free electron carriers are described with the vector-function representing the second-order parameter responsible for the continuous phase transition. This order parameter determines mostly the physical properties of the metal-insulator transition and leads to a singularity of the surface tension at the metal-insulator interface. The magnetic field is involved into the consideration of the system. The magnetic field leads to new singularities of the surface tension at the metal-insulator interface and results in a drastic variation of the phase transition kinetics. A strong singularity in the surface tension results from the Landau diamagnetism and determines anomalous features of the metal-insulator transition kinetics.

Boundaries for martensitic transition of 7Li under pressure

DOE PAGES

Schaeffer, Anne Marie; Cai, Weizhao; Olejnik, Ella; ...

2015-08-14

We report that physical properties of lithium under extreme pressures continuously reveal unexpected features. These include a sequence of structural transitions to lower symmetry phases, metal-insulator-metal transition, superconductivity with one of the highest elemental transition temperatures, and a maximum followed by a minimum in its melting line. The instability of the bcc structure of lithium is well established by the presence of a temperature-driven martensitic phase transition. The boundaries of this phase, however, have not been previously explored above 3 GPa. All higher pressure phase boundaries are either extrapolations or inferred based on indirect evidence. Here we explore the pressuremore » dependence of the martensitic transition of lithium up to 7 GPa using a combination of neutron and X-ray scattering. We find a rather unexpected deviation from the extrapolated boundaries of the hR3 phase of lithium. Furthermore, there is evidence that, above ~3 GPa, once in fcc phase, lithium does not undergo a martensitic transition.« less

Pressure induced phase transitions in ceramic compounds containing tetragonal zirconia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sparks, R.G.; Pfeiffer, G.; Paesler, M.A.

Stabilized tetragonal zirconia compounds exhibit a transformation toughening process in which stress applied to the material induces a crystallographic phase transition. The phase transition is accompanied by a volume expansion in the stressed region thereby dissipating stress and increasing the fracture strength of the material. The hydrostatic component of the stress required to induce the phase transition can be investigated by the use of a high pressure technique in combination with Micro-Raman spectroscopy. The intensity of Raman lines characteristic for the crystallographic phases can be used to calculate the amount of material that has undergone the transition as a functionmore » of pressure. It was found that pressures on the order of 2-5 kBar were sufficient to produce an almost complete transition from the original tetragonal to the less dense monoclinic phase; while a further increase in pressure caused a gradual reversal of the transition back to the original tetragonal structure.« less

Tunable phase transition in single-layer TiSe2 via electric field

NASA Astrophysics Data System (ADS)

Liu, Lei; Zhuang, Houlong L.

2018-06-01

Phase transition represents an intriguing physical phenomenon that exists in a number of single-layer transition-metal dichalcogenides. This phenomenon often occurs below a critical temperature and breaks the long-range crystalline order leading to a reconstructed superstructure called the charge-density wave (CDW) structure, which can therefore be recovered by external stimuli such as temperature. Alternatively, we show here that another external stimulation, electric field can also result in the phase transition between the regular and CDW structures of a single-layer transition-metal dichalcogenide. We used single-layer TiSe2 as an example to elucidate the mechanism of the CDW followed by calculations of the electronic structure using a hybrid density functional. We found that applying electric field can tune the phase transition between the 1T and CDW phases of single-layer TiSe2. Our work opens up a route of tuning the phase transition of single-layer materials via electric field.

Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: experiments and theory.

PubMed

Gupta, Satyendra Nath; Singh, Anjali; Pal, Koushik; Muthu, D V S; Shekhar, C; Elghazali, Moaz A; Naumov, Pavel G; Medvedev, Sergey A; Felser, C; Waghmare, U V; Sood, A K

2018-05-10

High pressure Raman, resistivity and synchrotron x-ray diffraction studies on Weyl semimetals NbAs and TaAs have been carried out along with density functional theoretical (DFT) analysis to explain pressure induced structural and electronic topological phase transitions. The frequencies of first order Raman modes harden with increasing pressure, exhibiting a slope change at [Formula: see text] GPa for NbAs and [Formula: see text] GPa for TaAs. The resistivities of NbAs and TaAs exhibit a minimum at pressures close to these transition pressures and also a change in the bulk modulus is observed. Our first-principles calculations reveal that the transition is associated with an electronic Lifshitz transition at [Formula: see text] for NbAs while it is a structural phase transition from body centered tetragonal to hexagonal phase at [Formula: see text] for TaAs. Further, our DFT calculations show a structural phase transition at 24 GPa from body centered tetragonal phase to hexagonal phase.

Kardar-Parisi-Zhang universality in the phase distributions of one-dimensional exciton-polaritons

NASA Astrophysics Data System (ADS)

Squizzato, Davide; Canet, Léonie; Minguzzi, Anna

2018-05-01

Exciton-polaritons under driven-dissipative conditions exhibit a condensation transition that belongs to a different universality class from that of equilibrium Bose-Einstein condensates. By numerically solving the generalized Gross-Pitaevskii equation with realistic experimental parameters, we show that one-dimensional exciton-polaritons display fine features of Kardar-Parisi-Zhang (KPZ) dynamics. Beyond the scaling exponents, we show that their phase distribution follows the Tracy-Widom form predicted for KPZ growing interfaces. We moreover evidence a crossover to the stationary Baik-Rains statistics. We finally show that these features are unaffected on a certain timescale by the presence of a smooth disorder often present in experimental setups.

Nonequilibrium Quantum Simulation in Circuit QED

NASA Astrophysics Data System (ADS)

Raftery, James John

Superconducting circuits have become a leading architecture for quantum computing and quantum simulation. In particular, the circuit QED framework leverages high coherence qubits and microwave resonators to construct systems realizing quantum optics models with exquisite precision. For example, the Jaynes-Cummings model has been the focus of significant theoretical interest as a means of generating photon-photon interactions. Lattices of such strongly correlated photons are an exciting new test bed for exploring non-equilibrium condensed matter physics such as dissipative phase transitions of light. This thesis covers a series of experiments which establish circuit QED as a powerful tool for exploring condensed matter physics with photons. The first experiment explores the use of ultra high speed arbitrary waveform generators for the direct digital synthesis of complex microwave waveforms. This new technique dramatically simplifies the classical control chain for quantum experiments and enables high bandwidth driving schemes expected to be essential for generating interesting steady-states and dynamical behavior. The last two experiments explore the rich physics of interacting photons, with an emphasis on small systems where a high degree of control is possible. The first experiment realizes a two-site system called the Jaynes-Cummings dimer, which undergoes a self-trapping transition where the strong photon-photon interactions block photon hopping between sites. The observation of this dynamical phase transition and the related dissipation-induced transition are key results of this thesis. The final experiment augments the Jaynes-Cummings dimer by redesigning the circuit to include in-situ control over photon hopping between sites using a tunable coupler. This enables the study of the dimer's localization transition in the steady-state regime.

The α-γ-ɛ triple point and phase boundaries of iron under shock compression

NASA Astrophysics Data System (ADS)

Li, Jun; Wu, Qiang; Xue, Tao; Geng, Huayun; Yu, Jidong; Jin, Ke; Li, Jiabo; Tan, Ye; Xi, Feng

2017-07-01

The phase transition of iron under shock compression has attracted much attention in recent decades because of its importance in fields such as condensed matter physics, geophysics, and metallurgy. At room temperature, the transition of iron from the α-phase (bcc) to the ɛ-phase (hpc) occurs at a stress of 13 GPa. At high temperature, a triple point followed by transformation to the γ-phase (fcc) is expected. However, the details of the high-temperature phase transitions of iron are still under debate. Here, we investigate the phase-transition behavior of polycrystalline iron under compression from room temperature to 820 K. The results show that the shock-induced phase transition is determined unequivocally from the measured three-wave-structure profiles, which clearly consist of an elastic wave, a plastic wave, and a phase-transition wave. The phase transition is temperature-dependent, with an average rate Δσtr/ΔT of -6.91 MPa/K below 700 K and -34.7 MPa/K at higher temperatures. The shock α-ɛ and α-γ phase boundaries intersect at 10.6 ± 0.53 GPa and 763 K, which agrees with the α-ɛ-γ triple point from early shock wave experiments and recent laser-heated diamond-anvil cell resistivity and in situ X-ray diffraction data but disagrees with the shock pressure-temperature phase diagram reported in 2009 by Zaretsky [J. Appl. Phys. 106, 023510 (2009)].

Exploring the transition from registered nurse to family nurse practitioner.

PubMed

Poronsky, Cathlin Buckingham

2013-01-01

There is limited information available regarding the transition from registered nurse (RN) to family nurse practitioner (FNP). Several authors described this transition as taking place in 4 stages, and others described it as a 2-phase process. However, there is a lack of consensus about the definition of these stages and phases and at what point they occur for nurses who are making the transition from an RN to an FNP. From what is known, this multistage/2-phase transition is accompanied by feelings of anxiety, stress, role confusion, and emotional turmoil. As a nurse faculty member, the author theorized that nurse faculty might be in a position to provide support for graduate students making this transition in role. However, there was little information available about the transition phases, stages, and needs of students during graduate school. The search for a framework to explore transition yielded transition theory, which is described and applied to FNP transition in this article. Transition theory may be useful for examining more fully the phases and stages of RN-to-FNP transition. In this time of increased need for qualified primary care providers, it is essential that graduates of FNP programs transition into practice following graduation. Copyright © 2013 Elsevier Inc. All rights reserved.

The Kibble-Zurek mechanism in phase transitions of non-equilibrium systems

NASA Astrophysics Data System (ADS)

Cheung, Hil F. H.; Patil, Yogesh S.; Date, Aditya G.; Vengalattore, Mukund

2017-04-01

We experimentally realize a driven-dissipative phase transition using a mechanical parametric amplifier to demonstrate key signatures of a second order phase transition, including a point where the susceptibilities and relaxation time scales diverge, and where the system exhibits a spontaneous breaking of symmetry. Though reminiscent of conventional equilibrium phase transitions, it is unclear if such driven-dissipative phase transitions are amenable to the conventional Landau-Ginsburg-Wilson paradigm, which relies on concepts of scale invariance and universality, and recent work has shown that such phase transitions can indeed lie beyond such conventional universality classes. By quenching the system past the critical point, we investigate the dynamics of the emergent ordered phase and find that our measurements are in excellent agreement with the Kibble-Zurek mechanism. In addition to verifying the Kibble-Zurek hypothesis in driven-dissipative phase transitions for the first time, we also demonstrate that the measured critical exponents accurately reflect the interplay between intrinsic coherent dynamics and environmental correlations, showing a clear departure from mean field exponents in the case of non-Markovian system-bath interactions. We further discuss how reservoir engineering and the imposition of artificial environmental correlations can result in the stabilization of novel many-body quantum phases and aid in the creation of exotic non-equilibrium states of matter.

High pressure ferroelastic phase transition in SrTiO3

NASA Astrophysics Data System (ADS)

Salje, E. K. H.; Guennou, M.; Bouvier, P.; Carpenter, M. A.; Kreisel, J.

2011-07-01

High pressure measurements of the ferroelastic phase transition of SrTiO3 (Guennou et al 2010 Phys. Rev. B 81 054115) showed a linear pressure dependence of the transition temperature between the cubic and tetragonal phase. Furthermore, the pressure induced transition becomes second order while the temperature dependent transition is near a tricritical point. The phase transition mechanism is characterized by the elongation and tilt of the TiO6 octahedra in the tetragonal phase, which leads to strongly nonlinear couplings between the structural order parameter, the volume strain and the applied pressure. The phase diagram is derived from the Clausius-Clapeyron relationship and is directly related to a pressure dependent Landau potential. The nonlinearities of the pressure dependent strains lead to an increase of the fourth order Landau coefficient with increasing pressure and, hence, to a tricritical-second order crossover. This behaviour is reminiscent of the doping related crossover in isostructural KMnF3.

Continuous Easy-Plane Deconfined Phase Transition on the Kagome Lattice

NASA Astrophysics Data System (ADS)

Zhang, Xue-Feng; He, Yin-Chen; Eggert, Sebastian; Moessner, Roderich; Pollmann, Frank

2018-03-01

We use large scale quantum Monte Carlo simulations to study an extended Hubbard model of hard core bosons on the kagome lattice. In the limit of strong nearest-neighbor interactions at 1 /3 filling, the interplay between frustration and quantum fluctuations leads to a valence bond solid ground state. The system undergoes a quantum phase transition to a superfluid phase as the interaction strength is decreased. It is still under debate whether the transition is weakly first order or represents an unconventional continuous phase transition. We present a theory in terms of an easy plane noncompact C P1 gauge theory describing the phase transition at 1 /3 filling. Utilizing large scale quantum Monte Carlo simulations with parallel tempering in the canonical ensemble up to 15552 spins, we provide evidence that the phase transition is continuous at exactly 1 /3 filling. A careful finite size scaling analysis reveals an unconventional scaling behavior hinting at deconfined quantum criticality.

Anomalous structural transition of confined hard squares.

PubMed

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.

Thermodynamics and glassy phase transition of regular black holes

NASA Astrophysics Data System (ADS)

Javed, Wajiha; Yousaf, Z.; Akhtar, Zunaira

2018-05-01

This paper is aimed to study thermodynamical properties of phase transition for regular charged black holes (BHs). In this context, we have considered two different forms of BH metrics supplemented with exponential and logistic distribution functions and investigated the recent expansion of phase transition through grand canonical ensemble. After exploring the corresponding Ehrenfest’s equation, we found the second-order background of phase transition at critical points. In order to check the critical behavior of regular BHs, we have evaluated some corresponding explicit relations for the critical temperature, pressure and volume and draw certain graphs with constant values of Smarr’s mass. We found that for the BH metric with exponential configuration function, the phase transition curves are divergent near the critical points, while glassy phase transition has been observed for the Ayón-Beato-García-Bronnikov (ABGB) BH in n = 5 dimensions.

Phase transitions in the system CaCO3 at high P and T determined by in situ vibrational spectroscopy in diamond anvil cells and first-principles simulations

NASA Astrophysics Data System (ADS)

Koch-Müller, Monika; Jahn, Sandro; Birkholz, Natalie; Ritter, Eglof; Schade, Ulrich

2016-09-01

The stability of the high-pressure CaCO3 calcite (cc)-related polymorphs was studied in experiments that were performed in conventional diamond anvil cells (DAC) at room temperature as a function of pressure up to 30 GPa as well as in internally heated diamond anvil cells (DAC-HT) at pressures and temperatures up to 20 GPa and 800 K. To probe structural changes, we used Raman and FTIR spectroscopy. For the latter, we applied conventional and synchrotron mid-infrared as well as synchrotron far-infrared radiation. Within the cc-III stability field (2.2-15 GPa at room temperature, e.g., Catalli and Williams in Phys Chem Miner 32(5-6):412-417, 2005), we observed in the Raman spectra consistently three different spectral patterns: Two patterns at pressures below and above 3.3 GPa were already described in Pippinger et al. (Phys Chem Miner 42(1):29-43, 2015) and assigned to the phase transition of cc-IIIb to cc-III at 3.3 GPa. In addition, we observed a clear change between 5 and 6 GPa that is independent of the starting material and the pressure path and time path of the experiments. This apparent change in the spectral pattern is only visible in the low-frequency range of the Raman spectra—not in the infrared spectra. Complementary electronic structure calculations confirm the existence of three distinct stability regions of cc-III-type phases at pressures up to about 15 GPa. By combining experimental and simulation data, we interpret the transition at 5-6 GPa as a re-appearance of the cc-IIIb phase. In all types of experiments, we confirmed the transition from cc-IIIb to cc-VI at about 15 GPa at room temperature. We found that temperature stabilizes cc-VI to lower pressure. The reaction cc-IIIb to cc-VI has a negative slope of -7.0 × 10-3 GPa K-1. Finally, we discuss the possibility of the dense cc-VI phase being more stable than aragonite at certain pressure and temperature conditions relevant to the Earth's mantle.

Weak arrest-like and field-driven first order magnetic phase transitions of itinerant Fe3Ga4 revealed by magnetization and magnetoresistance isotherms

NASA Astrophysics Data System (ADS)

Samatham, S. Shanmukharao; Suresh, K. G.

2017-01-01

The detailed magnetic study of complex 3d-electron based Fe3Ga4 is reported. It undergoes paramagnetic to antiferromagnetic (TN) and antiferromagnetic to ferromagnetic (TC) transitions respectively around 380 and 70 K. The thermal hysteresis of field-cooled cooling (FCC) and field-cooled warming (FCW) hints at first order phase transition below Curie temperature. A weak phase coexistence of ferro and antiferromagnetic phases is suggested by exploring the arrest-like first-order phenomenon. In the intermediate temperature range, field-driven metamagnetic transition from antiferro to ferromagnetic phase is confirmed. Further bringing the system very near to TN, field-induced transitions disappear and above TN predominant paramagnetic contribution is evident. The magnetic H-T phase diagram distinguishing different magnetic phases of Fe3Ga4 is obtained.

Nonequilibrium Phase Precursors during a Photoexcited Insulator-to-Metal Transition in V2O3

NASA Astrophysics Data System (ADS)

Singer, Andrej; Ramirez, Juan Gabriel; Valmianski, Ilya; Cela, Devin; Hua, Nelson; Kukreja, Roopali; Wingert, James; Kovalchuk, Olesya; Glownia, James M.; Sikorski, Marcin; Chollet, Matthieu; Holt, Martin; Schuller, Ivan K.; Shpyrko, Oleg G.

2018-05-01

Here, we photoinduce and directly observe with x-ray scattering an ultrafast enhancement of the structural long-range order in the archetypal Mott system V2O3 . Despite the ultrafast increase in crystal symmetry, the change of unit cell volume occurs an order of magnitude slower and coincides with the insulator-to-metal transition. The decoupling between the two structural responses in the time domain highlights the existence of a transient photoinduced precursor phase, which is distinct from the two structural phases present in equilibrium. X-ray nanoscopy reveals that acoustic phonons trapped in nanoscale twin domains govern the dynamics of the ultrafast transition into the precursor phase, while nucleation and growth of metallic domains dictate the duration of the slower transition into the metallic phase. The enhancement of the long-range order before completion of the electronic transition demonstrates the critical role the nonequilibrium structural phases play during electronic phase transitions in correlated electrons systems.