Spin transition of ferric iron in the calcium-ferrite type aluminous phase: Fe 3+ Spin Transition in the CF Phase

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

Wu, Ye; Qin, Fei; Wu, Xiang

2017-08-01

We investigated Fe-free and Fe-bearing CF phases using nuclear forward scattering and X-ray diffraction coupled with diamond anvil cells up to 80 GPa at room temperature. Octahedral Fe3+ ions in the Fe-bearing CF phase undergo a high-spin to low-spin transition at 25–35 GPa, accompanied by a volume reduction of ~2.0% and a softening of bulk sound velocity up to 17.6%. Based on the results of this study and our previous studies, both the NAL and CF phases, which account for 10–30 vol % of subducted MORB in the lower mantle, are predicted to undergo a spin transition of octahedral Fe3+more » at lower mantle pressures. Spin transitions in these two aluminous phases result in an increase of density of 0.24% and a pronounced softening of bulk sound velocity up to 2.3% for subducted MORB at 25–60 GPa and 300 K. The anomalous elasticity region expands and moves to 30–75 GPa at 1200 K and the maximum of the VΦ reduction decreases to ~1.8%. This anomalous elastic behavior of Fe-bearing aluminous phases across spin transition zones may be relevant in understanding the observed seismic signatures in the lower mantle.« less

Pressure induced phase transition and elastic properties of cerium mono-nitride (CeN)

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

Yaduvanshi, Namrata, E-mail: namrata-yaduvanshi@yahoo.com; Singh, Sadhna

2016-05-23

In the present paper, we have investigated the high-pressure structural phase transition and elastic properties of cerium mono-nitride. We studied theoretically the structural properties of this compound (CeN) by using the improved interaction potential model (IIPM) approach. This compound exhibits first order crystallographic phase transition from NaCl (B{sub 1}) to tetragonal (BCT) phase at 37 GPa. The phase transition pressures and associated volume collapse obtained from present potential model (IIPM) show a good agreement with available theoretical data.

Hydrodynamic effects on phase transition in active matter

NASA Astrophysics Data System (ADS)

Gidituri, Harinadha; Akella, V. S.; Panchagnula, Mahesh; Vedantam, Srikanth; Multiphase flow physics lab Team

2017-11-01

Organized motion of active (self-propelled) objects are ubiquitous in nature. The objective of this study to investigate the effect of hydrodynamics on the coherent structures in active and passive particle mixtures. We use a mesoscopic method Dissipative Particle Dynamics (DPD). The system shows three different states viz. meso-turbulent (disordered state), polar flock and vortical (ordered state) for different values of activity and volume fraction of active particles. From our numerical simulations we construct a phase diagram between activity co-efficient, volume fraction and viscosity of the passive fluid. Transition from vortical to polar is triggered by increasing the viscosity of passive fluid which causes strong short-range hydrodynamic interactions. However, as the viscosity of the fluid decreases, both vortical and meso-turbulent states transition to polar flock phase. We also calculated the diffusion co-efficients via mean square displacement (MSD) for passive and active particles. We observe ballistic and diffusive regimes in the present system.

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.

A Novel In-situ Electrochemical Cell for Neutron Diffraction Studies of Phase Transitions in Small Volume Electrodes of Li-ion Batteries

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

Vadlamani, Bhaskar S; An, Ke; Jagannathan, M.

2014-01-01

The design and performance of a novel in-situ electrochemical cell that greatly facilitates the neutron diffraction study of complex phase transitions in small volume electrodes of Li-ion cells, is presented in this work. Diffraction patterns that are Rietveld-refinable could be obtained simultaneously for all the electrodes, which demonstrates that the cell is best suited to explore electrode phase transitions driven by the lithiation and delithiation processes. This has been facilitated by the use of single crystal (100) Si sheets as casing material and the planar cell configuration, giving improved signal-to-noise ratio relative to other casing materials. The in-situ cell hasmore » also been designed for easy assembly and to facilitate rapid experiments. The effectiveness of cell is demonstrated by tracking the neutron diffraction patterns during the charging of graphite/LiCoO2 and graphite/LiMn2O4 cells. It is shown that good quality neutron diffraction data can be obtained and that most of the finer details of the phase transitions, and the associated changes in crystallographic parameters in these electrodes, can be captured.« less

Finite-size scaling for discontinuous nonequilibrium phase transitions

NASA Astrophysics Data System (ADS)

de Oliveira, Marcelo M.; da Luz, M. G. E.; Fiore, Carlos E.

2018-06-01

A finite-size scaling theory, originally developed only for transitions to absorbing states [Phys. Rev. E 92, 062126 (2015), 10.1103/PhysRevE.92.062126], is extended to distinct sorts of discontinuous nonequilibrium phase transitions. Expressions for quantities such as response functions, reduced cumulants, and equal area probability distributions are derived from phenomenological arguments. Irrespective of system details, all these quantities scale with the volume, establishing the dependence on size. The approach generality is illustrated through the analysis of different models. The present results are a relevant step in trying to unify the scaling behavior description of nonequilibrium transition processes.

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.

Exploration of phase transition in ThS under pressure: An ab-initio investigation

NASA Astrophysics Data System (ADS)

Sahoo, B. D.; Mukherjee, D.; Joshi, K. D.; Kaushik, T. C.

2018-04-01

The ab-initio total energy calculations have been performed in thorium sulphide (ThS) to explore its high pressure phase stability. Our calculations predict a phase transformation from ambient rocksalt type structure (B1 phase) to a rhombohedral structure (R-3m phase) at ˜ 15 GPa and subsequently R-3m phase transforms to CsCl type structure (B2 phase) at ˜ 45 GPa. The first phase transition has been identified as second order type; whereas, the second transition is of first order type with volume discontinuity of 6.5%. The predicted high pressure R-3m phase is analogous to the experimentally observed hexagonal (distorted fcc) phase (Benedict et al., J. Less-Common Met., 1984) above 20 GPa. Further, using these calculations we have derived the equation of state which has been utilized to determine various physical quantities such as zero pressure equilibrium volume, bulk modulus, and pressure derivative of bulk modulus at ambient conditions.

A stress-induced phase transition model for semi-crystallize shape memory polymer

NASA Astrophysics Data System (ADS)

Guo, Xiaogang; Zhou, Bo; Liu, Liwu; Liu, Yanju; Leng, Jinsong

2014-03-01

The developments of constitutive models for shape memory polymer (SMP) have been motivated by its increasing applications. During cooling or heating process, the phase transition which is a continuous time-dependent process happens in semi-crystallize SMP and the various individual phases form at different temperature and in different configuration. Then, the transformation between these phases occurred and shape memory effect will emerge. In addition, stress applied on SMP is an important factor for crystal melting during phase transition. In this theory, an ideal phase transition model considering stress or pre-strain is the key to describe the behaviors of shape memory effect. So a normal distributed model was established in this research to characterize the volume fraction of each phase in SMP during phase transition. Generally, the experiment results are partly backward (in heating process) or forward (in cooling process) compared with the ideal situation considering delay effect during phase transition. So, a correction on the normal distributed model is needed. Furthermore, a nonlinear relationship between stress and phase transition temperature Tg is also taken into account for establishing an accurately normal distributed phase transition model. Finally, the constitutive model which taking the stress as an influence factor on phase transition was also established. Compared with the other expressions, this new-type model possesses less parameter and is more accurate. For the sake of verifying the rationality and accuracy of new phase transition and constitutive model, the comparisons between the simulated and experimental results were carried out.

Electric-field induced phase transitions of dielectric colloids: Impact of multiparticle effects

NASA Astrophysics Data System (ADS)

Wood, Jeffery A.; Docoslis, Aristides

2012-05-01

The thermodynamic framework for predicting the electric-field induced fluid like-solid like phase transition of dielectric colloids developed by Khusid and Acrivos [Phys. Rev. E. 54, 5428 (1996)] is extended to examine the impact of multiscattering/multiparticle effects on the resulting phase diagrams. This was accomplished using effective permittivity models suitable both over the entire composition region for hard spheres (0≤cphase transition) and spinodal (rapid phase transition) boundaries for the system and compared to assuming Maxwell-Garnett permittivity. It was found that for larger dielectric contrasts between medium and particle that the impact of accounting for multiscattering effects increased and that there was a significant shift in the resulting phase diagrams. Results obtained for model colloidal systems of silica-dimethylsulfoxide and silica-isopropanol showed that critical electric field strength required for phase transitions could rise by up to approximately 20% when considering multiparticle effects versus the isolated dipole case. The impact of multiparticle effects on the phase diagrams was not only limited purely to the direct effect of volume fraction on permittivity and particle dipoles but also on the curvature of the volume fraction dependence. This work stresses the importance of accounting for particle effects on the polarization of colloidal suspensions, which has large implications for predicting the behavior of electrorheological fluids and other electric-field driven phenomena.

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

NASA Astrophysics Data System (ADS)

de Oliveira, M. M.; da Luz, M. G. E.; Fiore, C. E.

2015-12-01

Based on quasistationary distribution ideas, a general finite size scaling theory is proposed for discontinuous nonequilibrium phase transitions into absorbing states. Analogously to the equilibrium case, we show that quantities such as response functions, cumulants, and equal area probability distributions all scale with the volume, thus allowing proper estimates for the thermodynamic limit. To illustrate these results, five very distinct lattice models displaying nonequilibrium transitions—to single and infinitely many absorbing states—are investigated. The innate difficulties in analyzing absorbing phase transitions are circumvented through quasistationary simulation methods. Our findings (allied to numerical studies in the literature) strongly point to a unifying discontinuous phase transition scaling behavior for equilibrium and this important class of nonequilibrium systems.

The α-β phase transition in volcanic cristobalite.

PubMed

Damby, David E; Llewellin, Edward W; Horwell, Claire J; Williamson, Ben J; Najorka, Jens; Cressey, Gordon; Carpenter, Michael

2014-08-01

Cristobalite is a common mineral in volcanic ash produced from dome-forming eruptions. Assessment of the respiratory hazard posed by volcanic ash requires understanding the nature of the cristobalite it contains. Volcanic cristobalite contains coupled substitutions of Al 3+ and Na + for Si 4+ ; similar co-substitutions in synthetic cristobalite are known to modify the crystal structure, affecting the stability of the α and β forms and the observed transition between them. Here, for the first time, the dynamics and energy changes associated with the α-β phase transition in volcanic cristobalite are investigated using X-ray powder diffraction with simultaneous in situ heating and differential scanning calorimetry. At ambient temperature, volcanic cristobalite exists in the α form and has a larger cell volume than synthetic α-cristobalite; as a result, its diffraction pattern sits between ICDD α- and β-cristobalite library patterns, which could cause ambiguity in phase identification. On heating from ambient temperature, volcanic cristobalite exhibits a lower degree of thermal expansion than synthetic cristobalite, and it also has a lower α-β transition temperature (∼473 K) compared with synthetic cristobalite (upwards of 543 K); these observations are discussed in relation to the presence of Al 3+ and Na + defects. The transition shows a stable and reproducible hysteresis loop with α and β phases coexisting through the transition, suggesting that discrete crystals in the sample have different transition temperatures.

High-pressure phase transitions in rare earth metal thulium to 195 GPa.

PubMed

Montgomery, Jeffrey M; Samudrala, Gopi K; Tsoi, Georgiy M; Vohra, Yogesh K

2011-04-20

We have performed image plate x-ray diffraction studies on a heavy rare earth metal, thulium (Tm), in a diamond anvil cell to a pressure of 195 GPa and volume compression V/V₀ = 0.38 at room temperature. The rare earth crystal structure sequence, hcp →Sm-type→ dhcp →fcc → distorted fcc, is observed in Tm below 70 GPa with the exception of a pure fcc phase. The focus of our study is on the ultrahigh-pressure phase transition and Rietveld refinement of crystal structures in the pressure range between 70 and 195 GPa. The hexagonal hR-24 phase is seen to describe the distorted fcc phase between 70 and 124 GPa. Above 124 ± 4 GPa, a structural transformation from hR 24 phase to a monoclinic C 2/m phase is observed with a volume change of -1.5%. The equation of state data shows rapid stiffening above the phase transition at 124 GPa and is indicative of participation of f-electrons in bonding. We compare the behavior of Tm to other heavy rare-earths and heavy actinide metals under extreme conditions of pressure.

High-pressure phase transitions in rare earth metal thulium to 195 GPa

NASA Astrophysics Data System (ADS)

Montgomery, Jeffrey M.; Samudrala, Gopi K.; Tsoi, Georgiy M.; Vohra, Yogesh K.

2011-04-01

We have performed image plate x-ray diffraction studies on a heavy rare earth metal, thulium (Tm), in a diamond anvil cell to a pressure of 195 GPa and volume compression V/Vo = 0.38 at room temperature. The rare earth crystal structure sequence, {hcp}\\to {Sm {-}type} \\to {dhcp} \\to {fcc} \\to distorted fcc, is observed in Tm below 70 GPa with the exception of a pure fcc phase. The focus of our study is on the ultrahigh-pressure phase transition and Rietveld refinement of crystal structures in the pressure range between 70 and 195 GPa. The hexagonal hR- 24 phase is seen to describe the distorted fcc phase between 70 and 124 GPa. Above 124 ± 4 GPa, a structural transformation from hR 24 phase to a monoclinic C 2/m phase is observed with a volume change of - 1.5%. The equation of state data shows rapid stiffening above the phase transition at 124 GPa and is indicative of participation of f-electrons in bonding. We compare the behavior of Tm to other heavy rare-earths and heavy actinide metals under extreme conditions of pressure.

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.

On the existence of vapor-liquid phase transition in dusty plasmas

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

Kundu, M.; Sen, A.; Ganesh, R.

2014-10-15

The phenomenon of phase transition in a dusty-plasma system (DPS) has attracted some attention in the past. Earlier Farouki and Hamaguchi [J. Chem. Phys. 101, 9876 (1994)] have demonstrated the existence of a liquid to solid transition in DPS where the dust particles interact through a Yukawa potential. However, the question of the existence of a vapor-liquid (VL) transition in such a system remains unanswered and relatively unexplored so far. We have investigated this problem by performing extensive molecular dynamics simulations which show that the VL transition does not have a critical curve in the pressure versus volume diagram formore » a large range of the Yukawa screening parameter κ and the Coulomb coupling parameter Γ. Thus, the VL phase transition is found to be super-critical, meaning that this transition is continuous in the dusty plasma model given by Farouki and Hamaguchi. We provide an approximate analytic explanation of this finding by means of a simple model calculation.« less

Structure and phase transitions of asphaltenes in solutions

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

Tar, M.M. de; Sheu, E.Y.; Storm, D.A.

The authors investigated the rheological properties of two vacuum resid fractions in a series of solvents. The authors measured the viscosity as a function of concentration and temperature respectively. In this study, two aspects were focused: (1) the concentration dependence of viscosity for the pentane soluble fractions in a series of n-alkane solvents for study of the particle structure, and (2) the temperature dependence of viscosity of the heptane insoluble fraction in toluene at various concentrations for the study of the phase transitions. From their results it was found that all the systems studied are Newtonian. The results for (1)more » show that the particles are approximately spherical and as the carbon number of the n-alkane solvent increases, the quality of the solvent increases, thereby increasing the particle solvation. This result is consistent with that reported in a recent paper by Ali and Saleem. Also, the particles were found to behave similarly to colloidal particles. As for (2), a glass-like transition was observed at 50% concentration (0.31 volume fraction) with glass transition temperature at about 254 K, while no structural or phase transitions were observed for concentrations below 50%.« less

Structural phase transitions in yttrium under ultrahigh pressures

NASA Astrophysics Data System (ADS)

Samudrala, Gopi K.; Tsoi, Georgiy M.; Vohra, Yogesh K.

2012-09-01

X-ray diffraction studies were carried out on the rare earth metal yttrium up to 177 GPa in a diamond anvil cell at room temperature. Yttrium was compressed to 37% of its initial volume at the highest pressure. The rare earth crystal structure sequence hcp → Sm type → dhcp → mixed(dhcp + fcc) → distorted fcc (dfcc) is observed in yttrium below 50 GPa. The dfcc (hR24) phase has been observed to persist in the pressure range of 50-95 GPa. A structural transition from dfcc to a low symmetry phase has been observed in yttrium at 99 ± 4 GPa with a volume change of - 2.6%. This low symmetry phase has been identified as a monoclinic C2/m phase, which has also been observed in other rare earth elements under high pressures. The appearance of this low symmetry monoclinic phase in yttrium shows that its electronic structure under extreme conditions resembles that of heavy rare earth metals, with a significant increase in d-band character of the valence electrons and possibly some f-electron states near the Fermi level.

Structural phase transitions in yttrium under ultrahigh pressures.

PubMed

Samudrala, Gopi K; Tsoi, Georgiy M; Vohra, Yogesh K

2012-09-12

X-ray diffraction studies were carried out on the rare earth metal yttrium up to 177 GPa in a diamond anvil cell at room temperature. Yttrium was compressed to 37% of its initial volume at the highest pressure. The rare earth crystal structure sequence hcp → Sm type → dhcp → mixed(dhcp + fcc) → distorted fcc (dfcc) is observed in yttrium below 50 GPa. The dfcc (hR24) phase has been observed to persist in the pressure range of 50-95 GPa. A structural transition from dfcc to a low symmetry phase has been observed in yttrium at 99 ± 4 GPa with a volume change of - 2.6%. This low symmetry phase has been identified as a monoclinic C2/m phase, which has also been observed in other rare earth elements under high pressures. The appearance of this low symmetry monoclinic phase in yttrium shows that its electronic structure under extreme conditions resembles that of heavy rare earth metals, with a significant increase in d-band character of the valence electrons and possibly some f-electron states near the Fermi level.

Structural phase transition of BeTe: an ab initio molecular dynamics study.

PubMed

Alptekin, Sebahaddin

2017-08-11

Beryllium telluride (BeTe) with cubic zinc-blende (ZB) structure was studied using ab initio constant pressure method under high pressure. The ab initio molecular dynamics (MD) approach for constant pressure was studied and it was found that the first order phase transition occurs from the ZB structure to the nickel arsenide (NiAs) structure. It has been shown that the MD simulation predicts the transition pressure P T more than the value obtained by the static enthalpy and experimental data. The structural pathway reveals MD simulation such as cubic → tetragonal → orthorhombic → monoclinic → orthorhombic → hexagonal, leading the ZB to NiAs phase. The phase transformation is accompanied by a 10% volume drop and at 80 GPa is likely to be around 35 GPa in the experiment. In the present study, our obtained values can be compared with the experimental and theoretical results. Graphical abstract The energy-volume relation and ZB phase for the BeTe.

Pressure-Induced Irreversible Phase Transition in the Energetic Material Urea Nitrate

NASA Astrophysics Data System (ADS)

Li, Shourui; Zou, Bo

2013-06-01

The behavior of energetic material Urea Nitrate ((NH2)2 COH+ . NO3-,UN) has been investigated up to the pressure of ~26 GPa. UN exhibits the typical supramolecular structure with uronium cation and nitrate anion held together by multiple hydrogen bonds in the layer. Both Raman and XRD data provide obvious evidence for the distorted phase transition in the pressure range ~9-15 GPa. Further analysis indicates phase II has Pc symmetry. The mechanism for the phase transition involves collapse of the initial 2D supramolecular structure to 3D hydrogen-bonded networks in phase Pc. Importantly, the transition is irreversible and leads to a large reduction in volume on release of pressure. The density in phase Pc has been increased by ~11.8% compared to the phase P21/ c under ambient conditions and therefore phase Pc is expected to have much higher detonation power. This study opens new opportunities for preparing energetic materials with high density combining supramolecular chemistry with high-pressure techniques. Corresponding author. E-mail: zoubo@jlu.edu.cn This work is supported by National Science Foundation of China (NSFC) (Nos. 91227202, and 21073071).

The α–β phase transition in volcanic cristobalite

PubMed Central

Damby, David E.; Llewellin, Edward W.; Horwell, Claire J.; Williamson, Ben J.; Najorka, Jens; Cressey, Gordon; Carpenter, Michael

2014-01-01

Cristobalite is a common mineral in volcanic ash produced from dome-forming eruptions. Assessment of the respiratory hazard posed by volcanic ash requires understanding the nature of the cristobalite it contains. Volcanic cristobalite contains coupled substitutions of Al3+ and Na+ for Si4+; similar co-substitutions in synthetic cristobalite are known to modify the crystal structure, affecting the stability of the α and β forms and the observed transition between them. Here, for the first time, the dynamics and energy changes associated with the α–β phase transition in volcanic cristobalite are investigated using X-ray powder diffraction with simultaneous in situ heating and differential scanning calorimetry. At ambient temperature, volcanic cristobalite exists in the α form and has a larger cell volume than synthetic α-cristobalite; as a result, its diffraction pattern sits between ICDD α- and β-cristobalite library patterns, which could cause ambiguity in phase identification. On heating from ambient temperature, volcanic cristobalite exhibits a lower degree of thermal expansion than synthetic cristobalite, and it also has a lower α–β transition temperature (∼473 K) compared with synthetic cristobalite (upwards of 543 K); these observations are discussed in relation to the presence of Al3+ and Na+ defects. The transition shows a stable and reproducible hysteresis loop with α and β phases coexisting through the transition, suggesting that discrete crystals in the sample have different transition temperatures. PMID:25242910

Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations

DOE PAGES

Pierleoni, Carlo; Morales, Miguel A.; Rillo, Giovanni; ...

2016-04-20

The phase diagram of high-pressure hydrogen is of great interest for fundamental research, planetary physics, and energy applications. A first-order phase transition in the fluid phase between a molecular insulating fluid and a monoatomic metallic fluid has been predicted. The existence and precise location of the transition line is relevant for planetary models. Recent experiments reported contrasting results about the location of the transition. Theoretical results based on density functional theory are also very scattered. We report highly accurate coupled electron-ion Monte Carlo calculations of this transition, finding results that lie between the two experimental predictions, close to that measuredmore » in diamond anvil cell experiments but at 25-30 GPa higher pressure. Here, the transition along an isotherm is signaled by a discontinuity in the specific volume, a sudden dissociation of the molecules, a jump in electrical conductivity, and loss of electron localization.« less

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.

Surface-initiated phase transition in solid hydrogen under the high-pressure compression

NASA Astrophysics Data System (ADS)

Lei, Haile; Lin, Wei; Wang, Kai; Li, Xibo

2018-03-01

The large-scale molecular dynamics simulations have been performed to understand the microscopic mechanism governing the phase transition of solid hydrogen under the high-pressure compression. These results demonstrate that the face-centered-cubic-to-hexagonal close-packed phase transition is initiated first at the surfaces at a much lower pressure than in the volume and then extends gradually from the surface to volume in the solid hydrogen. The infrared spectra from the surface are revealed to exhibit a different pressure-dependent feature from those of the volume during the high-pressure compression. It is thus deduced that the weakening intramolecular H-H bonds are always accompanied by hardening surface phonons through strengthening the intermolecular H2-H2 coupling at the surfaces with respect to the counterparts in the volume at high pressures. This is just opposite to the conventional atomic crystals, in which the surface phonons are softening. The high-pressure compression has further been predicted to force the atoms or molecules to spray out of surface to degrade the pressure. These results provide a glimpse of structural properties of solid hydrogen at the early stage during the high-pressure compression.

High temperature ferroic phase transitions and evidence of paraelectric cubic phase in the multiferroic 0.8BiFeO3-0.2BaTiO3

NASA Astrophysics Data System (ADS)

Singh, Anar; Patel, Jay Prakash; Pandey, Dhananjai

2009-10-01

We present here results of a powder x-ray diffraction study on the multiferroic 0.8BiFeO3-0.2BaTiO3 in the temperature range of 300-925 K. Our results provide unambiguous evidence for paraelectric cubic phase. We do not find any evidence for intermediate β-phase in our studies. The rhombohedral to cubic phase transition is shown to be of first order as revealed by the coexistence of cubic and rhombohedral phases over 100 K range and a discontinuous change in the unit cell volume. An anomaly in the unit cell volume at the magnetic transition temperature indicative of the magnetoelastic coupling is also reported.

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.

Learning phase transitions by confusion

NASA Astrophysics Data System (ADS)

van Nieuwenburg, Evert; Liu, Ye-Hua; Huber, Sebastian

Classifying phases of matter is a central problem in physics. For quantum mechanical systems, this task can be daunting owing to the exponentially large Hilbert space. Thanks to the available computing power and access to ever larger data sets, classification problems are now routinely solved using machine learning techniques. Here, we propose to use a neural network based approach to find transitions depending on the performance of the neural network after training it with deliberately incorrectly labelled data. 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 a generic tool to identify unexplored transitions.

Effect of silver on the phase transition and wettability of titanium oxide films

PubMed Central

Mosquera, Adolfo A.; Albella, Jose M.; Navarro, Violeta; Bhattacharyya, Debabrata; Endrino, Jose L.

2016-01-01

The effect of silver on the phase transition and microstructure of titanium oxide films grown by pulsed cathodic arc had been investigated by XRD, SEM and Raman spectroscopy. Following successive thermal annealing up to 1000 °C, microstructural analysis of annealed Ag-TiO2 films reveals that the incorporation of Ag nanoparticles strongly affects the transition temperature from the initial metastable amorphous phase to anatase and stable rutile phase. An increase of silver content into TiO2 matrix inhibits the amorphous to anatase phase transition, raising its temperature boundary and, simultaneously reduces the transition temperature to promote rutile structure at lower value of 600 °C. The results are interpreted in terms of the steric effects produced by agglomeration of Ag atoms into larger clusters following annealing which hinders diffusion of Ti and O ions for anatase formation and constrains the volume available for the anatase lattice, thus disrupting its structure to form rutile phase. The effect of silver on the optical and wetting properties of TiO2 was evaluated to demonstrate its improved photocatalytic performance. PMID:27571937

Unusually sharp paramagnetic phase transition in thin film Fe3Pt invar

NASA Astrophysics Data System (ADS)

Drisko, Jasper; Cumings, John

2013-03-01

Invar alloys, typically 3d transition metal rich systems, are most commonly known for their extremely low coefficients of thermal expansion (CTE) over a wide range of temperatures close to room temperature. This anomalous behavior in the CTE lends Invar to a variety of important applications in precision mechanical devices, scientific instruments, and sensors, among others. Many theoretical models of Invar have been proposed over the years, the most promising of which is a system described by two coexisting phases, one high-spin high-volume and the other low-spin low-volume, that compete to stabilize the volume of the material as the temperature is changed. However, no theory has yet been able to explain all experimental observations across the range of Invar alloys, especially at finite temperature. We have fabricated thin films of a Fe3Pt Invar alloy and investigate them using Lorentz Transmission Electron Microscopy (TEM). 23nm films are deposited onto SiN membrane substrates via radio-frequency magnetron sputtering from a pure Fe target decorated with Pt pieces. We observe novel magnetic domain structures and an unusually sharp phase transition between ferromagnetic (FM) and paramagnetic (PM) regions of the film under a temperature gradient. This sharp transition suggests that the FM-to-PM transition may be first order, perhaps containing a structural-elastic component to the order parameter. However, electron diffraction reveals that both the FM and PM regions have the same FCC crystal structure.

Fluctuation driven electroweak phase transition

NASA Technical Reports Server (NTRS)

Gleiser, Marcelo; Kolb, Edward W.

1991-01-01

We examine the dynamics of the electroweak phase transition in the early Universe. For Higgs masses in the range 46 less than or = M sub H less than or = 150 GeV and top quark masses less than 200 GeV, regions of symmetric and asymmetric vacuum coexist to below the critical temperature, with thermal equilibrium between the two phases maintained by fluctuations of both phases. We propose that the transition to the asymmetric vacuum is completed by percolation of these subcritical fluctuations. Our results are relevant to scenarios of baryogenesis that invoke a weakly first-order phase transition at the electroweak scale.

Giant elastic tunability in strained BiFeO 3 near an electrically induced phase transition

DOE PAGES

Yu, Pu; Vasudevan, Rama K.; Tselev, Alexander; ...

2015-11-24

Elastic anomalies are signatures of phase transitions in condensed matters and have traditionally been studied using various techniques spanning from neutron scattering to static mechanical testing. Here, using band-excitation elastic/piezoresponse spectroscopy, we probed sub-MHz elastic dynamics of a tip bias-induced rhombohedral–tetragonal phase transition of strained (001)-BiFeO 3 (rhombohedral) ferroelectric thin films from ~10 3 nm 3 sample volumes. Near this transition, we observed that the Young's modulus intrinsically softens by over 30% coinciding with 2-3 folds enhancement of local piezoresponse. Coupled with phase-field modeling, we also addressed the influence of polarization switching and mesoscopic structural heterogeneities (e.g., domain walls) onmore » the kinetics of this phase transition, thereby providing fresh insights into the morphotropic phase boundary (MPB) in ferroelectrics. Moreover, the giant electrically tunable elastic stiffness and corresponding electromechanical properties observed here suggest potential applications of BiFeO 3 in next-generation frequency-agile electroacoustic devices, based on utilization of the soft modes underlying successive ferroelectric phase transitions.« less

Giant elastic tunability in strained BiFeO3 near an electrically induced phase transition

PubMed Central

Li, Q; Cao, Y.; Yu, P.; Vasudevan, R. K.; Laanait, N.; Tselev, A.; Xue, F.; Chen, L. Q.; Maksymovych, P.; Kalinin, S. V.; Balke, N.

2015-01-01

Elastic anomalies are signatures of phase transitions in condensed matters and have traditionally been studied using various techniques spanning from neutron scattering to static mechanical testing. Here, using band-excitation elastic/piezoresponse spectroscopy, we probed sub-MHz elastic dynamics of a tip bias-induced rhombohedral−tetragonal phase transition of strained (001)-BiFeO3 (rhombohedral) ferroelectric thin films from ∼103 nm3 sample volumes. Near this transition, we observed that the Young's modulus intrinsically softens by over 30% coinciding with two- to three-fold enhancement of local piezoresponse. Coupled with phase-field modelling, we also addressed the influence of polarization switching and mesoscopic structural heterogeneities (for example, domain walls) on the kinetics of this phase transition, thereby providing fresh insights into the morphotropic phase boundary in ferroelectrics. Furthermore, the giant electrically tunable elastic stiffness and corresponding electromechanical properties observed here suggest potential applications of BiFeO3 in next-generation frequency-agile electroacoustic devices, based on the utilization of the soft modes underlying successive ferroelectric phase transitions. PMID:26597483

'Second' Ehrenfest equation for second order phase transition under hydrostatic pressure

NASA Astrophysics Data System (ADS)

Moin, Ph. B.

2018-02-01

It is shown that the fundamental conditions for the second-order phase transitions ? and ?, from which the two Ehrenfest equations follow (the 'usual' and the 'second' ones), are realised only at zero hydrostatic pressure (?). At ? the volume jump ΔV at the transition is proportional to the pressure and to the jump of the compressibility ΔζV, whereas the entropy jump ΔS is proportional to the pressure and to the jump of the thermal expansion coefficient ΔαV. This means that at non-zero hydrostatic pressure the phase transition is of the first order and is described by the Clausius-Clapeyron equation. At small pressure this equation coincides with the 'second' Ehrenfest equation ?. At high P, the Clausius-Clapeyron equation describes qualitatively the caused by the crystal compression positive curvature of the ? dependence.

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.

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.

The role of solid-solid phase transitions in mantle convection

NASA Astrophysics Data System (ADS)

Faccenda, Manuele; Dal Zilio, Luca

2017-01-01

With changing pressure and temperature conditions, downwelling and upwelling crustal and mantle rocks experience several solid-solid phase transitions that affect the mineral physical properties owing to structural changes in the crystal lattice and to the absorption or release of latent heat. Variations in density, together with phase boundary deflections related to the non-null reaction slope, generate important buoyancy forces that add to those induced by thermal perturbations. These buoyancy forces are proportional to the density contrast between reactant and product phases, their volume fraction, the slope and the sharpness of the reaction, and affect the style of mantle convection depending on the system composition. In a homogeneous pyrolitic mantle there is little tendency for layered convection, with slabs that may stagnate in the transition zone because of the positive buoyancy caused by post-spinel and post-ilmenite reactions, and hot plumes that are accelerated by phase transformations in the 600-800 km depth range. By adding chemical and mineralogical heterogeneities as on Earth, phase transitions introduce bulk rock and volatiles filtering effects that generate a compositional gradient throughout the entire mantle, with levels that are enriched or depleted in one or more of these components. Phase transitions often lead to mechanical softening or hardening that can be related to a different intrinsic mechanical behaviour and volatile solubility of the product phases, the heating or cooling associated with latent heat, and the transient grain size reduction in downwelling cold material. Strong variations in viscosity would enhance layered mantle convection, causing slab stagnation and plume ponding. At low temperatures and relatively dry conditions, reactions are delayed due to the sluggish kinetics, so that non-equilibrium phase aggregates can persist metastably beyond the equilibrium phase boundary. Survival of low-density metastable olivine

Pressure-driven insulator-metal transition in cubic phase UO2

NASA Astrophysics Data System (ADS)

Huang, Li; Wang, Yilin; Werner, Philipp

2017-09-01

Understanding the electronic properties of actinide oxides under pressure poses a great challenge for experimental and theoretical studies. Here, we investigate the electronic structure of cubic phase uranium dioxide at different volumes using a combination of density functional theory and dynamical mean-field theory. The ab initio calculations predict an orbital-selective insulator-metal transition at a moderate pressure of ∼45 GPa. At this pressure the uranium's 5f 5/2 state becomes metallic, while the 5f 7/2 state remains insulating up to about 60 GPa. In the metallic state, we observe a rapid decrease of the 5f occupation and total angular momentum with pressure. Simultaneously, the so-called “Zhang-Rice state”, which is of predominantly 5f 5/2 character, quickly disappears after the transition into the metallic phase.

Theoretical potential for low energy consumption phase change memory utilizing electrostatically-induced structural phase transitions in 2D materials

NASA Astrophysics Data System (ADS)

Rehn, Daniel A.; Li, Yao; Pop, Eric; Reed, Evan J.

2018-01-01

Structural phase-change materials are of great importance for applications in information storage devices. Thermally driven structural phase transitions are employed in phase-change memory to achieve lower programming voltages and potentially lower energy consumption than mainstream nonvolatile memory technologies. However, the waste heat generated by such thermal mechanisms is often not optimized, and could present a limiting factor to widespread use. The potential for electrostatically driven structural phase transitions has recently been predicted and subsequently reported in some two-dimensional materials, providing an athermal mechanism to dynamically control properties of these materials in a nonvolatile fashion while achieving potentially lower energy consumption. In this work, we employ DFT-based calculations to make theoretical comparisons of the energy required to drive electrostatically-induced and thermally-induced phase transitions. Determining theoretical limits in monolayer MoTe2 and thin films of Ge2Sb2Te5, we find that the energy consumption per unit volume of the electrostatically driven phase transition in monolayer MoTe2 at room temperature is 9% of the adiabatic lower limit of the thermally driven phase transition in Ge2Sb2Te5. Furthermore, experimentally reported phase change energy consumption of Ge2Sb2Te5 is 100-10,000 times larger than the adiabatic lower limit due to waste heat flow out of the material, leaving the possibility for energy consumption in monolayer MoTe2-based devices to be orders of magnitude smaller than Ge2Sb2Te5-based devices.

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

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_ftransition. Interestingly, for T_fphase transition in the presence of a dilaton field. This novel zeroth-order phase transition occurs due to a finite jump in the Gibbs free energy which is generated by the dilaton-electromagnetic coupling constant, α , for a certain range of pressure.

Stress induced phase transitions in silicon

NASA Astrophysics Data System (ADS)

Budnitzki, M.; Kuna, M.

2016-10-01

Silicon has a tremendous importance as an electronic, structural and optical material. Modeling the interaction of a silicon surface with a pointed asperity at room temperature is a major step towards the understanding of various phenomena related to brittle as well as ductile regime machining of this semiconductor. If subjected to pressure or contact loading, silicon undergoes a series of stress-driven phase transitions accompanied by large volume changes. In order to understand the material's response for complex non-hydrostatic loading situations, dedicated constitutive models are required. While a significant body of literature exists for the dislocation dominated high-temperature deformation regime, the constitutive laws used for the technologically relevant rapid low-temperature loading have severe limitations, as they do not account for the relevant phase transitions. We developed a novel finite deformation constitutive model set within the framework of thermodynamics with internal variables that captures the stress induced semiconductor-to-metal (cd-Si → β-Si), metal-to-amorphous (β-Si → a-Si) as well as amorphous-to-amorphous (a-Si → hda-Si, hda-Si → a-Si) transitions. The model parameters were identified in part directly from diamond anvil cell data and in part from instrumented indentation by the solution of an inverse problem. The constitutive model was verified by successfully predicting the transformation stress under uniaxial compression and load-displacement curves for different indenters for single loading-unloading cycles as well as repeated indentation. To the authors' knowledge this is the first constitutive model that is able to adequately describe cyclic indentation in silicon.

Pressure-driven insulator-metal transition in cubic phase UO 2

DOE PAGES

Huang, Li; Wang, Yilin; Werner, Philipp

2017-09-21

Understanding the electronic properties of actinide oxides under pressure poses a great challenge for experimental and theoretical studies. Here, we investigate the electronic structure of cubic phase uranium dioxide at different volumes using a combination of density functional theory and dynamical mean-field theory. The ab initio calculations predict an orbital-selective insulator-metal transition at a moderate pressure of ~45 GPa. At this pressure the uranium's 5f 5/2 state becomes metallic, while the 5f 7/2 state remains insulating up to about 60 GPa. In the metallic state, we observe a rapid decrease of the 5f occupation and total angular momentum with pressure.more » Simultaneously, the so-called "Zhang-Rice state", which is of predominantly 5f 5/2 character, quickly disappears after the transition into the metallic phase.« less

Phase transitions in high magnetic fields

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

Arko, A.J.; Beers, C.J.; van Deursen, A.P.J.

1982-08-01

The purpose of this paper is to summarize some of the research activities recently performed at the Laboratorium voor Hoge Magneetvelden at the University of Nijmegen. The scope here and unifying aspect is magnetically induced phase transitions. Here we summarize transitions in the settling velocity of paramagnetic aggregates, suppression of spin fluctuations in UAl/sub 2/, the phase diagram of a ferroelectric chiral smectic liquid crystal near the Lifshitz point and the transition from 3D to 2D conduction in a GaAs FET. In no way does this represent a complete review of transitions, but rather a summary of phase transitions observedmore » at the magnet laboratory during the past year. 6 figures.« less

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.

B1 to B2 structural phase transition in LiF under pressure

NASA Astrophysics Data System (ADS)

Jain, Aayushi; Dixit, R. C.

2018-05-01

In the last few decades the alkali halides emerged as crystals with useful applications and their high-pressure behaviour is the most intensively studied subject in high-pressure physics/chemistry, material science, and geosciences. Most alkali halides follow the B1 (NaCl-type)→B2 (CsCl-type) phase-transition route under pressure. In the present paper, we have investigated the characteristics of structural phase transition that occurred in Lithium Florid compound under high pressure. The transition pressure of B1-B2 was calculated using an effective interionic interaction potential (EIOP). The changes of the characteristics of crystals like, Gibbs free energy, cohesive energy, volume collapse, and lattice constant are calculated for the B1 and B2 structures. These data were compared with the available experimental and theoretical data.

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

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.

Insight into structural phase transitions from the decoupled anharmonic mode approximation.

PubMed

Adams, Donat J; Passerone, Daniele

2016-08-03

We develop a formalism (decoupled anharmonic mode approximation, DAMA) that allows calculation of the vibrational free energy using density functional theory even for materials which exhibit negative curvature of the potential energy surface with respect to atomic displacements. We investigate vibrational modes beyond the harmonic approximation and approximate the potential energy surface with the superposition of the accurate potential along each normal mode. We show that the free energy can stabilize crystal structures at finite temperatures which appear dynamically unstable at T  =  0. The DAMA formalism is computationally fast because it avoids statistical sampling through molecular dynamics calculations, and is in principle completely ab initio. It is free of statistical uncertainties and independent of model parameters, but can give insight into the mechanism of a structural phase transition. We apply the formalism to the perovskite cryolite, and investigate the temperature-driven phase transition from the P21/n to the Immm space group. We calculate a phase transition temperature between 710 and 950 K, in fair agreement with the experimental value of 885 K. This can be related to the underestimation of the interaction of the vibrational states. We also calculate the main axes of the thermal ellipsoid and can explain the experimentally observed increase of its volume for the fluorine by 200-300% throughout the phase transition. Our calculations suggest the appearance of tunneling states in the high temperature phase. The convergence of the vibrational DOS and of the critical temperature with respect of reciprocal space sampling is investigated using the polarizable-ion model.

Insight into structural phase transitions from the decoupled anharmonic mode approximation

NASA Astrophysics Data System (ADS)

Adams, Donat J.; Passerone, Daniele

2016-08-01

We develop a formalism (decoupled anharmonic mode approximation, DAMA) that allows calculation of the vibrational free energy using density functional theory even for materials which exhibit negative curvature of the potential energy surface with respect to atomic displacements. We investigate vibrational modes beyond the harmonic approximation and approximate the potential energy surface with the superposition of the accurate potential along each normal mode. We show that the free energy can stabilize crystal structures at finite temperatures which appear dynamically unstable at T  =  0. The DAMA formalism is computationally fast because it avoids statistical sampling through molecular dynamics calculations, and is in principle completely ab initio. It is free of statistical uncertainties and independent of model parameters, but can give insight into the mechanism of a structural phase transition. We apply the formalism to the perovskite cryolite, and investigate the temperature-driven phase transition from the P21/n to the Immm space group. We calculate a phase transition temperature between 710 and 950 K, in fair agreement with the experimental value of 885 K. This can be related to the underestimation of the interaction of the vibrational states. We also calculate the main axes of the thermal ellipsoid and can explain the experimentally observed increase of its volume for the fluorine by 200-300% throughout the phase transition. Our calculations suggest the appearance of tunneling states in the high temperature phase. The convergence of the vibrational DOS and of the critical temperature with respect of reciprocal space sampling is investigated using the polarizable-ion model.

Quantum phase transition with dissipative frustration

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

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

Prediction of B1 to B10 phase transition in LuN under pressure: An ab-initio investigation

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

Sahoo, B. D., E-mail: bdsahoo@barc.gov.in; Mukherjee, D.; Joshi, K. D.

2016-05-23

Ab-initio total energy calculations have been performed in lutetium nitride (LuN) as a function of hydrostatic compression to understand the high pressure behavior of this compound. Our calculations predict a phase transition from ambient rocksalt type structure (B1 phase) to a tetragonal structure (B10 phase) at ~ 240 GPa. The phase transition has been identified as first order in nature with volume discontinuity of ~ 6%. The predicted high pressure phase has been found to be stable up to at least 400 GPa, the maximum pressure up to which calculations have been performed.Further, to substantiate the results of static lattice calculations analysismore » of lattice dynamic stability of B1 and B10 phase has been carried out at different pressures. Apart from this, we have analyzed the lattice dynamic stability CsCl type (B2) phase around the 240 GPa, the pressure reported for B1 to B2 transition in previous all-electron calculations by Gupta et al. 2013. We find that the B2 structure is lattice dynamically unstable at this pressure and remains unstable up to ~ 400 GPa, ruling out the possibility of B1 to B2 phase transition at least up to ~ 400 GPa. Further, the theoretically determined equation of state has been utilized to derive various physical quantities such as zero pressure equilibrium volume, bulk modulus, and pressure derivative of bulk modulus of B1 phase at ambient conditions.« less

The high-pressure phase transitions of hydroxides

NASA Astrophysics Data System (ADS)

Nishi, M.; Kuwayama, Y.; Tsuchiya, J.; Tsuchiya, T.; Irifune, T.

2017-12-01

The discovery of new high-pressure hydrous minerals has important implications for understanding the structure, dynamics, and evolution of the Earth, since hydrogen significantly affects the physical properties and stabilities of Earth's constituent minerals. Whereas hydrous minerals commonly dehydrate under pressures of around a few tens of gigapascals (GPa) and at temperature around 1,500 K, those with CaCl2-type crystal structure, MgSiO4H2 phase H, δ-AlOOH and ɛ-FeOOH, are known to be stable at pressures corresponding to the lower mantle. However, although the CaCl2-type hydroxides were suggested to form a solid solution owing to their similar crystal structure, there are few experimental studies on the stability of the hydroxide in such multicomponent. Moreover, ab initio calculations have predicted that some CaCl2-type hydroxides transform to pyrite-type structure at higher pressures. Here, we conducted high pressure-temperature experiments on pure AlOOH, FeOOH, and their solid solutions, with the aid of these first-principles predictions. We use in situ X-ray measurements in conjunction with a multi-anvil apparatus to study the high-pressure behaviour of hydroxides in the multicomponent system under middle lower mantle conditions. Solid solutions in wide compositional ranges between CaCl2-type δ-AlOOH and ɛ-FeOOH were recognized from X-ray diffraction patterns. Also, unit cell volume of FeOOH and (Al,Fe)OOH significantly decreased accompanied with the spin transition of iron at 50 GPa. Thus, the wide compositional ranges in CaCl2-type hydroxide are maintained beyond the depth of the middle lower mantle, where the spin transition of iron occurs. We used a laser-heated diamond anvil cell in order to study the stability of AlOOH and FeOOH at higher pressures above 70 GPa. We observed that ɛ-FeOOH transforms to the pyrite-type structure at above 80 GPa, which is consistent with the theoretical prediction. At conditions above 190 GPa and 2,500 K, we observed

Phase transitions in a system of hard Y-shaped particles on the triangular lattice

NASA Astrophysics Data System (ADS)

Mandal, Dipanjan; Nath, Trisha; Rajesh, R.

2018-03-01

We study the different phases and the phase transitions in a system of Y-shaped particles, examples of which include immunoglobulin-G and trinaphthylene molecules, on a triangular lattice interacting exclusively through excluded volume interactions. Each particle consists of a central site and three of its six nearest neighbors chosen alternately, such that there are two types of particles which are mirror images of each other. We study the equilibrium properties of the system using grand canonical Monte Carlo simulations that implement an algorithm with cluster moves that is able to equilibrate the system at densities close to full packing. We show that, with increasing density, the system undergoes two entropy-driven phase transitions with two broken-symmetry phases. At low densities, the system is in a disordered phase. As intermediate phases, there is a solidlike sublattice phase in which one type of particle is preferred over the other and the particles preferentially occupy one of four sublattices, thus breaking both particle symmetry as well as translational invariance. At even higher densities, the phase is a columnar phase, where the particle symmetry is restored, and the particles preferentially occupy even or odd rows along one of the three directions. This phase has translational order in only one direction, and breaks rotational invariance. From finite-size scaling, we demonstrate that both the transitions are first order in nature. We also show that the simpler system with only one type of particle undergoes a single discontinuous phase transition from a disordered phase to a solidlike sublattice phase with an increasing density of particles.

Swarms, phase transitions, and collective intelligence

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

Millonas, M.M.

1992-01-01

A model of the collective behavior of a large number of locally acting organisms is proposed. The model is intended to be realistic, but turns out to fit naturally into the category of connectionist models, Like all connectionist models, its properties can be divided into the categories of structure, dynamics, and learning. The space in which the organisms move is discretized, and is modeled by a lattice of nodes, or cells. Each cell hag a specified volume, and is connected to other cells in the space in a definite way. Organisms move probabilistically between local cells in this space, butmore » with weights dependent on local morphogenic substances, or morphogens. The morphogens are in turn are effected by the passage of an organism. The evolution of the morphogens, and the corresponding constitutes of the organisms constitutes the collective behavior of the group. The generic properties of such systems are analyzed, and a number of results are obtained. The model has various types of phase transitions and self-organizing properties controlled both by the level of the noise, and other parameters. It is hoped that the present mode; might serve as a paradigmatic example of a complex cooperative system in nature. In particular this model can be used to explore the relation of phase transitions to at least three important issues encountered in artificial life. Firstly, that of emergence as complex adaptive behavior. Secondly, as an exploration of second order phase transitions in biological systems. Lastly, to derive behavioral criteria for the evolution of collective behavior in social organisms. The model is then applied to the specific case of ants moving on a lattice. The local behavior of the ants is inspired by the actual behavior observed in the laboratory, and analytic results for the collective behavior are compared to the corresponding laboratory results. Monte carlo simulations are used as illustrations.« less

Swarms, phase transitions, and collective intelligence

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

Millonas, M.M.

1992-12-31

A model of the collective behavior of a large number of locally acting organisms is proposed. The model is intended to be realistic, but turns out to fit naturally into the category of connectionist models, Like all connectionist models, its properties can be divided into the categories of structure, dynamics, and learning. The space in which the organisms move is discretized, and is modeled by a lattice of nodes, or cells. Each cell hag a specified volume, and is connected to other cells in the space in a definite way. Organisms move probabilistically between local cells in this space, butmore » with weights dependent on local morphogenic substances, or morphogens. The morphogens are in turn are effected by the passage of an organism. The evolution of the morphogens, and the corresponding constitutes of the organisms constitutes the collective behavior of the group. The generic properties of such systems are analyzed, and a number of results are obtained. The model has various types of phase transitions and self-organizing properties controlled both by the level of the noise, and other parameters. It is hoped that the present mode; might serve as a paradigmatic example of a complex cooperative system in nature. In particular this model can be used to explore the relation of phase transitions to at least three important issues encountered in artificial life. Firstly, that of emergence as complex adaptive behavior. Secondly, as an exploration of second order phase transitions in biological systems. Lastly, to derive behavioral criteria for the evolution of collective behavior in social organisms. The model is then applied to the specific case of ants moving on a lattice. The local behavior of the ants is inspired by the actual behavior observed in the laboratory, and analytic results for the collective behavior are compared to the corresponding laboratory results. Monte carlo simulations are used as illustrations.« less

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.

The liquid⟷amorphous transition and the high pressure phase diagram of carbon

NASA Astrophysics Data System (ADS)

Robinson, David R.; Wilson, Mark

2013-04-01

The phase diagram of carbon is mapped to high pressure using a computationally-tractable potential model. The use of a relatively simple (Tersoff-II) potential model allows a large range of phase space to be explored. The coexistence (melting) curve for the diamond crystal/liquid dyad is mapped directly by modelling the solid/liquid interfaces. The melting curve is found to be re-entrant and belongs to a conformal class of diamond/liquid coexistence curves. On supercooling the liquid a phase transition to a tetrahedral amorphous form (ta-C) is observed. The liquid ⟷ amorphous coexistence curve is mapped onto the pT plane and is found to also be re-entrant. The entropy changes for both melting and the amorphous ⟶ liquid transitions are obtained from the respective coexistence curves and the associated changes in molar volume. The structural change on amorphization is analysed at different points on the coexistence curve including for transitions that are both isochoric and isocoordinate (no change in nearest-neighbour coordination number). The conformal nature of the melting curve is highlighted with respect to the known behaviour of Si. The relationship of the observed liquid/amorphous coexistence curve to the Si low- and high-density amorphous (LDA/HDA) transition is discussed.

Energy barrier of bcc-fcc phase transition via the Bain path in Yukawa system

NASA Astrophysics Data System (ADS)

Kiyokawa, Shuji

2018-05-01

In the Yukawa system with the dimensionless screening parameter κ>1.5 , when bcc-fcc transition occurs via Bain path, we show that spontaneous transitions do not occur even if the system temperature reaches the transition point of bcc-fcc because it is necessary to increase once the free energy in the process of transition from bcc to fcc through Bain deformation. Here, we refer the temporary increment of the free energy during Bain deformation as Bain barrier. Since there are the Bain barriers at the transitions between bcc and fcc phases, these phases may coexist as metastable state in the wide region (not a coexistence line) of κ and the coupling constant Γ. We study the excess energy of the system and the free energy difference between bcc and fcc phases by the Monte Carlo method, where the simulation box is divided into a large number of elements with small volume and a particle in the box is restricted be placed in one of these elements. By this method, we can tabulate the values of the interparticle potential and can calculate the internal energy fast and precisely.

Predicting glass-to-glass and liquid-to-liquid phase transitions in supercooled water using classical nucleation theory

NASA Astrophysics Data System (ADS)

Tournier, Robert F.

2018-01-01

Glass-to-glass and liquid-to-liquid phase transitions are observed in bulk and confined water, with or without applied pressure. They result from the competition of two liquid phases separated by an enthalpy difference depending on temperature. The classical nucleation equation of these phases is completed by this quantity existing at all temperatures, a pressure contribution, and an enthalpy excess. This equation leads to two homogeneous nucleation temperatures in each liquid phase; the first one (Tn- below Tm) being the formation temperature of an "ordered" liquid phase and the second one corresponding to the overheating temperature (Tn+ above Tm). Thermodynamic properties, double glass transition temperatures, sharp enthalpy and volume changes are predicted in agreement with experimental results. The first-order transition line at TLL = 0.833 × Tm between fragile and strong liquids joins two critical points. Glass phase above Tg becomes "ordered" liquid phase disappearing at TLL at low pressure and at Tn+ = 1.302 × Tm at high pressure.

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.

Phase transition studies of Na3Bi system under uniaxial strain

NASA Astrophysics Data System (ADS)

Nie, Tiaoping; Meng, Lijun; Li, Yanru; Luan, Yanhua; Yu, Jun

2018-03-01

We investigated the electronic properties and phase transitions of Na3Bi in four structural phases (space groups P63/mmc, P \\overline{3} c1, Fm \\overline{3} m and Cmcm) under constant-volume uniaxial strain using the first-principles method. For P63/mmc and P \\overline{3} c1-Na3Bi, an important phase transition from a topological Dirac semimetal (TDS) to a topological insulator appears under compression strain around 4.5%. The insulating gap increases with the increasing compressive strain and up to around 0.1 eV at a strain of 10%. However, both P63/mmc and P \\overline{3} c1-Na3Bi still keep the properties of a TDS within a tensile strain of 0-10%, although the Dirac points move away from the Γ point along Γ-A in reciprocal space as the tensile strain increases. The Na3Bi with space group Fm \\overline{3} m is identified as a topological semimetal with the inverted bands between Na-3s and Bi-6p and a parabolic dispersion in the vicinity of Γ point. Interestingly, for Fm \\overline{3} m-Na3Bi, both compression and tensile strain lead to a TDS which is identified by calculating surface Fermi arcs and topological invariants at time-reversal planes (k z   =  0 and k z   =  π/c) in reciprocal space. Additionally, we confirmed the high pressure phase Cmcm-Na3Bi is an ordinary insulator with a gap of about 0.62 eV. It is noteworthy that its gap almost keeps constant around 0.60 eV within a compression strain of 0-10%. In contrast, a remarkable phase transition from an insulator to a metal phase appears under tensile strain. Moreover, this phase transition is highly sensitive to tensile strain and takes place only at a strain 1.0%. These strain-induced electronic structures and phase transitions of the Na3Bi system in various phases are important due to their possible applications under high pressure in future electronic devices.

Problem-Solving Phase Transitions During Team Collaboration.

PubMed

Wiltshire, Travis J; Butner, Jonathan E; Fiore, Stephen M

2018-01-01

Multiple theories of problem-solving hypothesize that there are distinct qualitative phases exhibited during effective problem-solving. However, limited research has attempted to identify when transitions between phases occur. We integrate theory on collaborative problem-solving (CPS) with dynamical systems theory suggesting that when a system is undergoing a phase transition it should exhibit a peak in entropy and that entropy levels should also relate to team performance. Communications from 40 teams that collaborated on a complex problem were coded for occurrence of problem-solving processes. We applied a sliding window entropy technique to each team's communications and specified criteria for (a) identifying data points that qualify as peaks and (b) determining which peaks were robust. We used multilevel modeling, and provide a qualitative example, to evaluate whether phases exhibit distinct distributions of communication processes. We also tested whether there was a relationship between entropy values at transition points and CPS performance. We found that a proportion of entropy peaks was robust and that the relative occurrence of communication codes varied significantly across phases. Peaks in entropy thus corresponded to qualitative shifts in teams' CPS communications, providing empirical evidence that teams exhibit phase transitions during CPS. Also, lower average levels of entropy at the phase transition points predicted better CPS performance. We specify future directions to improve understanding of phase transitions during CPS, and collaborative cognition, more broadly. Copyright © 2017 Cognitive Science Society, Inc.

Modelling Phase Transition Phenomena in Fluids

DTIC Science & Technology

2015-07-01

Sublimation line r @@I Triple point ? Vapourisation liner @@I Critical point -Fusion line Solid Liquid Gas Figure 1: Schematic of a phase diagram means that the...velocity field can be set zero, and only the balance of energy constitutes the Stefan model. In contrast to this the liquid - gas phase transitions...defined by requiring that the phase-transition line is crossed in a direction from solid to liquid or from liquid to gas (vapour) phases. The term T∗ δs is

Late-time cosmological phase transitions

NASA Technical Reports Server (NTRS)

Schramm, David N.

1991-01-01

It is shown that the potential galaxy formation and large scale structure problems of objects existing at high redshifts (Z approx. greater than 5), structures existing on scales of 100 M pc as well as velocity flows on such scales, and minimal microwave anisotropies ((Delta)T/T) (approx. less than 10(exp -5)) can be solved if the seeds needed to generate structure form in a vacuum phase transition after decoupling. It is argued that the basic physics of such a phase transition is no more exotic than that utilized in the more traditional GUT scale phase transitions, and that, just as in the GUT case, significant random Gaussian fluctuations and/or topological defects can form. Scale lengths of approx. 100 M pc for large scale structure as well as approx. 1 M pc for galaxy formation occur naturally. Possible support for new physics that might be associated with such a late-time transition comes from the preliminary results of the SAGE solar neutrino experiment, implying neutrino flavor mixing with values similar to those required for a late-time transition. It is also noted that a see-saw model for the neutrino masses might also imply a tau neutrino mass that is an ideal hot dark matter candidate. However, in general either hot or cold dark matter can be consistent with a late-time transition.

Shaping Crystal-Crystal Phase Transitions

NASA Astrophysics Data System (ADS)

Du, Xiyu; van Anders, Greg; Dshemuchadse, Julia; Glotzer, Sharon

Previous computational and experimental studies have shown self-assembled structure depends strongly on building block shape. New synthesis techniques have led to building blocks with reconfigurable shape and it has been demonstrated that building block reconfiguration can induce bulk structural reconfiguration. However, we do not understand systematically how this transition happens as a function of building block shape. Using a recently developed ``digital alchemy'' framework, we study the thermodynamics of shape-driven crystal-crystal transitions. We find examples of shape-driven bulk reconfiguration that are accompanied by first-order phase transitions, and bulk reconfiguration that occurs without any thermodynamic phase transition. Our results suggest that for well-chosen shapes and structures, there exist facile means of bulk reconfiguration, and that shape-driven bulk reconfiguration provides a viable mechanism for developing functional materials.

Chiral crossover transition in a finite volume

NASA Astrophysics Data System (ADS)

Shi, Chao; Jia, Wenbao; Sun, An; Zhang, Liping; Zong, Hongshi

2018-02-01

Finite volume effects on the chiral crossover transition of strong interactions at finite temperature are studied by solving the quark gap equation within a cubic volume of finite size L. With the anti-periodic boundary condition, our calculation shows the chiral quark condensate, which characterizes the strength of dynamical chiral symmetry breaking, decreases as L decreases below 2.5 fm. We further study the finite volume effects on the pseudo-transition temperature {T}{{c}} of the crossover, showing a significant decrease in {T}{{c}} as L decreases below 3 fm. Supported by National Natural Science Foundation of China (11475085, 11535005, 11690030, 51405027), the Fundamental Research Funds for the Central Universities (020414380074), China Postdoctoral Science Foundation (2016M591808) and Open Research Foundation of State Key Lab. of Digital Manufacturing Equipment & Technology in Huazhong University of Science & Technology (DMETKF2015015)

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 transitions and baryogenesis from decays

DOE PAGES

Shuve, Brian; Tamarit, Carlos

2017-10-18

Here, we study scenarios in which the baryon asymmetry is generated from the decay of a particle whose mass originates from the spontaneous breakdown of a symmetry. This is realized in many models, including low-scale leptogenesis and theories with classical scale invariance. Symmetry breaking in the early universe proceeds through a phase transition that gives the parent particle a time-dependent mass, which provides an additional departure from thermal equilibrium that could modify the efficiency of baryogenesis from out-of-equilibrium decays. We characterize the effects of various types of phase transitions and show that an enhancement in the baryon asymmetry from decaysmore » is possible if the phase transition is of the second order, although such models are typically fine-tuned. We also stress the role of new annihilation modes that deplete the parent particle abundance in models realizing such a phase transition, reducing the efficacy of baryogenesis. A proper treatment of baryogenesis in such models therefore requires the inclusion of the effects we study in this paper.« less

Phase transitions and baryogenesis from decays

NASA Astrophysics Data System (ADS)

Shuve, Brian; Tamarit, Carlos

2017-10-01

We study scenarios in which the baryon asymmetry is generated from the decay of a particle whose mass originates from the spontaneous breakdown of a symmetry. This is realized in many models, including low-scale leptogenesis and theories with classical scale invariance. Symmetry breaking in the early universe proceeds through a phase transition that gives the parent particle a time-dependent mass, which provides an additional departure from thermal equilibrium that could modify the efficiency of baryogenesis from out-of-equilibrium decays. We characterize the effects of various types of phase transitions and show that an enhancement in the baryon asymmetry from decays is possible if the phase transition is of the second order, although such models are typically fine-tuned. We also stress the role of new annihilation modes that deplete the parent particle abundance in models realizing such a phase transition, reducing the efficacy of baryogenesis. A proper treatment of baryogenesis in such models therefore requires the inclusion of the effects we study in this paper.

Pressure-induced phase transitions in the CdC r2S e4 spinel

NASA Astrophysics Data System (ADS)

Efthimiopoulos, I.; Liu, Z. T. Y.; Kucway, M.; Khare, S. V.; Sarin, P.; Tsurkan, V.; Loidl, A.; Wang, Y.

2016-11-01

We have conducted high-pressure x-ray diffraction and Raman spectroscopic studies on the CdC r2S e4 spinel at room temperature up to 42 GPa. We have resolved three structural transitions up to 42 GPa, i.e., the starting F d 3 ¯m phase transforms at ˜11 GPa into a tetragonal I 41/a m d structure, an orthorhombic distortion was observed at ˜15 GPa , whereas structural disorder initiates beyond 25 GPa. Our ab initio density functional theory studies successfully reproduced the observed crystalline-to-crystalline structural transitions. In addition, our calculations propose an antiferromagnetic ordering as a potential magnetic ground state for the high-pressure tetragonal and orthorhombic modifications, compared with the starting ferromagnetic phase. Furthermore, the computational results indicate that all phases remain insulating in their stability pressure range, with a direct-to-indirect band gap transition for the F d 3 ¯m phase taking place at 5 GPa. We attempted also to offer an explanation behind the peculiar first-order character of the F d 3 ¯m (cubic ) →I 41/a m d (tetragonal) transition observed for several relevant Cr spinels, i.e., the sizeable volume change at the transition point, which is not expected from space group symmetry considerations. We detected a clear correlation between the cubic-tetragonal transition pressures and the next-nearest-neighbor magnetic exchange interactions for the Cr-bearing sulfide and selenide members, a strong indication that the cubic-tetragonal transitions in these systems are principally governed by magnetic effects.

Pressure-Induced Phase Transitions of n-Tridecane

NASA Astrophysics Data System (ADS)

Yamashita, Motoi

Pressure-induced phase transition behavior of n-tridecane from the ordered phase through the rotator phase into the liquid phase has been investigated by using Fourier transform infrared spectroscopy at 25 °C. The transition between the ordered and rotator phases has been observed in the pressure range of 270-220 MPa and the transition between the rotator and liquid phases has been observed in the pressure range of 171-112 MPa, within the experimental error of ±50 MPa. The populations of the -gtg- + -gtg'-, -gg- and gt- defects determined from the methylene wagging mode are smaller in the rotator phase than in the liquid phase and are smaller under higher pressure in both of the rotator and liquid phases. A relationship has been found between the conformation and the intensity of the 890 cm-1 band, which has been assigned as the methyl rocking mode and has been considered as insensitive to conformation.

Phase transition of aragonite in abalone nacre

NASA Astrophysics Data System (ADS)

An, Yuanlin; Liu, Zhiming; Wu, Wenjian

2013-04-01

Nacre is composed of about 95 vol.% aragonite and 5 vol.% biopolymer and famous for its "brick and mortar" microstructure. The phase transition temperature of aragonite in nacre is lower than the pure aragonite. In situ XRD was used to identify the phase transition temperature from aragonite to calcite in nacre, based on the analysis of TG-DSC of fresh nacre and demineralized nacre. The results indicate that the microstructure and biopolymer are the two main factors that influence the phase transition temperature of aragonite in nacre.

Instability of Insulators near Quantum Phase Transitions

NASA Astrophysics Data System (ADS)

Doron, A.; Tamir, I.; Levinson, T.; Ovadia, M.; Sacépé, B.; Shahar, D.

2017-12-01

Thin films of amorphous indium oxide undergo a magnetic field driven superconducting to insulator quantum phase transition. In the insulating phase, the current-voltage characteristics show large current discontinuities due to overheating of electrons. We show that the onset voltage for the discontinuities vanishes as we approach the quantum critical point. As a result, the insulating phase becomes unstable with respect to any applied voltage making it, at least experimentally, immeasurable. We emphasize that unlike previous reports of the absence of linear response near quantum phase transitions, in our system, the departure from equilibrium is discontinuous. Because the conditions for these discontinuities are satisfied in most insulators at low temperatures, and due to the decay of all characteristic energy scales near quantum phase transitions, we believe that this instability is general and should occur in various systems while approaching their quantum critical point. Accounting for this instability is crucial for determining the critical behavior of systems near the transition.

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.

The ice VII-ice X phase transition with implications for planetary interiors

NASA Astrophysics Data System (ADS)

Aarestad, B.; Frank, M. R.; Scott, H.; Bricker, M.; Prakapenka, V.

2008-12-01

A significant amount of research on the high pressure polymorphs of H2O have detailed the lattice structure and density of these phases, namely ice VI, ice VII, and ice X. These high pressure ices are noteworthy as they may comprise a considerable part of the interior of large icy planets and satellites. However, there is a dearth of data on how the incorporation of an impurity, charged or non-charged, affects the ice VII-ice X transition. This study examined the ice VII-ice X transition that occurs at approximately 62 GPa with a pure system and two select impure systems. Solutions of pure H2O, 1.6 mole percent NaCl in H2O, and 1.60 mole percent CH3OH in H2O were compressed in a diamond anvil cell (DAC). The experiments were performed at the GSECARS 13-BM-D beam line at the Advanced Photon Source at Argonne National Laboratory. Powder diffraction data of the ice samples were collected using monochromatic X-ray radiation, 0.2755 Å, and a MAR 345 online imaging system at intervals of approximately 2 GPa up to ~71.5, ~74.5, and ~68 GPa, respectively. Analyses of the data provided volume-pressure relations (at 298 K) which were used to detail the ice VII-ice X phase transition. The pressure of the phase transition, based upon an interpretation of the X-ray diffraction data, was found to vary as a function of the impurity type. Thus, the depth of the ice VII-ice X phase transition within an ice-rich planetary body can be influenced by trace-level impurities.

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.

Superradiant phase transitions with three-level systems

NASA Astrophysics Data System (ADS)

Baksic, Alexandre; Nataf, Pierre; Ciuti, Cristiano

2013-02-01

We determine the phase diagram of N identical three-level systems interacting with a single photonic mode in the thermodynamical limit (N→∞) by accounting for the so-called diamagnetic term and the inequalities imposed by the Thomas-Reich-Kuhn (TRK) oscillator strength sum rule. The key role of transitions between excited levels and the occurrence of first-order phase transitions is discussed. We show that, in contrast to two-level systems, in the three-level case the TRK inequalities do not always prevent a superradiant phase transition in the presence of a diamagnetic term.

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.

Highly responsive ground state of PbTaSe 2 : Structural phase transition and evolution of superconductivity under pressure

DOE PAGES

Kaluarachchi, Udhara S.; Deng, Yuhang; Besser, Matthew F.; ...

2017-06-09

Transport and magnetic studies of PbTaSe 2 under pressure suggest the existence of two superconducting phases with the low temperature phase boundary at ~ 0.25 GPa that is defined by a very sharp, first order, phase transition. The first order phase transition line can be followed via pressure dependent resistivity measurements, and is found to be near 0.12 GPa near room temperature. Transmission electron microscopy and x-ray diffraction at elevated temperatures confirm that this first order phase transition is structural and occurs at ambient pressure near ~ 425 K. The new, high temperature/high pressure phase has a similar crystal structuremore » and slightly lower unit cell volume relative to the ambient pressure, room temperature structure. Based on first-principles calculations this structure is suggested to be obtained by shifting the Pb atoms from the 1 a to 1 e Wyckoff position without changing the positions of Ta and Se atoms. PbTaSe 2 has an exceptionally pressure sensitive, structural phase transition with Δ T s / Δ P ≈ -1400 K/GPa near room temperature, and ≈ -1700 K/GPa near 4 K. This first order transition causes a ~ 1 K (~ 25 % ) steplike decrease in T c as pressure is increased through 0.25 GPa.« less

A Transition to Metallic Hydrogen: Evidence of the Plasma Phase Transition

NASA Astrophysics Data System (ADS)

Silvera, Isaac; Zaghoo, Mohamed; Salamat, Ashkan

The insulator-metal transition in hydrogen is one of the most outstanding problems in condensed matter physics. The high-pressure metallic phase is now predicted to be liquid atomic from T =0 K to very high temperatures. We have conducted measurements of optical properties of hot dense hydrogen in the region of 1.1-1.7 Mbar and up to 2200 K in a diamond anvil cell using pulsed laser heating of the sample. We present evidence in two forms: a plateau in the heating curves (average laser power vs temperature) characteristic of a first-order phase transition with latent heat, and changes in transmittance and reflectance characteristic of a metal for temperatures above the plateau temperature. For thick films the reflectance saturates at ~0.5. The phase line of this transition has a negative slope in agreement with theories of the so-called plasma phase transition. The NSF, Grant DMR-1308641, the DOE Stockpile Stewardship Academic Alliance Program, Grant DE-FG52-10NA29656, and NASA Earth and Space Science Fellowship Program, Award NNX14AP17H supported this research.

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

Dynamical quantum phase transitions: a review

NASA Astrophysics Data System (ADS)

Heyl, Markus

2018-05-01

Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

Dynamical quantum phase transitions: a review.

PubMed

Heyl, Markus

2018-05-01

Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

Discriminative Cooperative Networks for Detecting Phase Transitions

NASA Astrophysics Data System (ADS)

Liu, Ye-Hua; van Nieuwenburg, Evert P. L.

2018-04-01

The classification of states of matter and their corresponding phase transitions is a special kind of machine-learning task, where physical data allow for the analysis of new algorithms, which have not been considered in the general computer-science setting so far. Here we introduce an unsupervised machine-learning scheme for detecting phase transitions with a pair of discriminative cooperative networks (DCNs). In this scheme, a guesser network and a learner network cooperate to detect phase transitions from fully unlabeled data. The new scheme is efficient enough for dealing with phase diagrams in two-dimensional parameter spaces, where we can utilize an active contour model—the snake—from computer vision to host the two networks. The snake, with a DCN "brain," moves and learns actively in the parameter space, and locates phase boundaries automatically.

Coupled Structural, Thermal, Phase-Change and Electromagnetic Analysis for Superconductors. Volume 1

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Park, K. C.; Militello, C.; Schuler, J. J.

1996-01-01

Described are the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromagnetic subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase-change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements, (2) finite element modeling of the electromagnetic problem, (3) coupling of thermal and mechanical effects, and (4) computer implementation and solution of the superconductivity transition problem. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles, (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements, and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects, and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The theoretical development is described in two volumes. This volume, Volume 1, describes mostly formulations for specific problems. Volume 2 describes generalization of those formulations.

Controlling dynamical quantum phase transitions

NASA Astrophysics Data System (ADS)

Kennes, D. M.; Schuricht, D.; Karrasch, C.

2018-05-01

We study the dynamics arising from a double quantum quench where the parameters of a given Hamiltonian are abruptly changed from being in an equilibrium phase A to a different phase B and back (A →B →A ). As prototype models, we consider the (integrable) transverse Ising field as well as the (nonintegrable) ANNNI model. The return amplitude features nonanalyticities after the first quench through the equilibrium quantum critical point (A →B ), which is routinely taken as a signature of passing through a so-called dynamical quantum phase transition. We demonstrate that nonanalyticities after the second quench (B →A ) can be avoided and reestablished in a recurring manner upon increasing the time T spent in phase B. The system retains an infinite memory of its past state, and one has the intriguing opportunity to control at will whether or not dynamical quantum phase transitions appear after the second quench.

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.

Effect of the expansion associated with the plutonium α-β-γ phase transitions on storage can integrity

NASA Astrophysics Data System (ADS)

Spearing, Dane R.; Veirs, D. Kirk; Prenger, F. Coyne

2001-11-01

The effects of the volume expansion of plutonium metal through the α-β and β-γ phase transitions on a stainless steel storage container were examined. A cylindrical plutonium ingot was placed in the axial center of an annealed stainless steel cylinder and thermally cycled until a steady state in the strain response of the cylinder was reached. The average plastic hoop strain was 1.47% and 1.55% after six and four cycles through the α-β and α-β-γ phase transitions, respectively. Elastic strain was ˜0.2%, indicating a 8.96 MPa back pressure on the Pu ingot. This is an order of magnitude less than the compressive yield strength of α- and β-Pu at the transition temperature. Metallographic analyses indicate that anisotropic expansion of the Pu ingot is due to preferentially oriented grain growth of the β-Pu along the axial direction due to stress applied by the steel cylinder during the α-β phase transition.

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.

Phase transitions in tumor growth VI: Epithelial-Mesenchymal transition

NASA Astrophysics Data System (ADS)

Guerra, A.; Rodriguez, D. J.; Montero, S.; Betancourt-Mar, J. A.; Martin, R. R.; Silva, E.; Bizzarri, M.; Cocho, G.; Mansilla, R.; Nieto-Villar, J. M.

2018-06-01

Herewith we discuss a network model of the epithelial-mesenchymal transition (EMT) based on our previous proposed framework. The EMT appears as a "first order" phase transition process, analogous to the transitions observed in the chemical-physical field. Chiefly, EMT should be considered a transition characterized by a supercritical Andronov-Hopf bifurcation, with the emergence of limit cycle and, consequently, a cascade of saddle-foci Shilnikov's bifurcations. We eventually show that the entropy production rate is an EMT-dependent function and, as such, its formalism reminds the van der Waals equation.

Unconventional transformation of spin Dirac phase across a topological quantum phase transition

PubMed Central

Xu, Su-Yang; Neupane, Madhab; Belopolski, Ilya; Liu, Chang; Alidoust, Nasser; Bian, Guang; Jia, Shuang; Landolt, Gabriel; Slomski, Batosz; Dil, J. Hugo; Shibayev, Pavel P.; Basak, Susmita; Chang, Tay-Rong; Jeng, Horng-Tay; Cava, Robert J.; Lin, Hsin; Bansil, Arun; Hasan, M. Zahid

2015-01-01

The topology of a topological material can be encoded in its surface states. These surface states can only be removed by a bulk topological quantum phase transition into a trivial phase. Here we use photoemission spectroscopy to image the formation of protected surface states in a topological insulator as we chemically tune the system through a topological transition. Surprisingly, we discover an exotic spin-momentum locked, gapped surface state in the trivial phase that shares many important properties with the actual topological surface state in anticipation of the change of topology. Using a spin-resolved measurement, we show that apart from a surface bandgap these states develop spin textures similar to the topological surface states well before the transition. Our results offer a general paradigm for understanding how surface states in topological phases arise from a quantum phase transition and are suggestive for the future realization of Weyl arcs, condensed matter supersymmetry and other fascinating phenomena in the vicinity of a quantum criticality. PMID:25882717

Quantum trajectory phase transitions in the micromaser.

PubMed

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

2011-08-01

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

Structural phase transition and phonon instability in Cu 12Sb 4S 13

DOE PAGES

May, Andrew F.; Delaire, Olivier A.; Niedziela, Jennifer L.; ...

2016-02-08

In this study, a structural phase transition has been discovered in the synthetic tetrahedrite Cu 12Sb 4S 13 at approximately 88 K. Upon cooling, the material transforms from its known cubic symmetry to a tetragonal unit cell that is characterized by an in-plane ordering that leads to a doubling of the unit cell volume. Specific heat capacity measurements demonstrate a hysteresis of more than two degrees in the associated anomaly. A similar hysteresis was observed in powder x-ray diffraction measurements, which also indicate a coexistence of the two phases, and together these results suggest a first-order transition. This structural transitionmore » coincides with a recently-reported metal-insulator transition, and the structural instability is related to the very low thermal conductivity κ in these materials. Inelastic neutron scattering was used to measure the phonon density of states in Cu 12Sb 4S 13 and Cu 10Zn 2Sb 4S 13, both of which possess a localized, low-energy phonon mode associated with strongly anharmonic copper displacements that suppress κ. In Cu 12Sb 4S 13, signatures of the phase transition are observed in the temperature dependence of the localized mode, which disappears at the structural transition. In contrast, in the cubic Zn-doped material, the mode is at slightly higher-energy but observable for all temperatures, though it softens upon cooling.« less

Phase transitions in traffic flow on multilane roads.

PubMed

Kerner, Boris S; Klenov, Sergey L

2009-11-01

Based on empirical and numerical analyses of vehicular traffic, the physics of spatiotemporal phase transitions in traffic flow on multilane roads is revealed. The complex dynamics of moving jams observed in single vehicle data measured by video cameras on American highways is explained by the nucleation-interruption effect in synchronized flow, i.e., the spontaneous nucleation of a narrow moving jam with the subsequent jam dissolution. We find that (i) lane changing, vehicle merging from on-ramps, and vehicle leaving to off-ramps result in different traffic phases-free flow, synchronized flow, and wide moving jams-occurring and coexisting in different road lanes as well as in diverse phase transitions between the traffic phases; (ii) in synchronized flow, the phase transitions are responsible for a non-regular moving jam dynamics that explains measured single vehicle data: moving jams emerge and dissolve randomly at various road locations in different lanes; (iii) the phase transitions result also in diverse expanded general congested patterns occurring at closely located bottlenecks.

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

Constant volume gas cell optical phase-shifter

DOEpatents

Phillion, Donald W.

2002-01-01

A constant volume gas cell optical phase-shifter, particularly applicable for phase-shifting interferometry, contains a sealed volume of atmospheric gas at a pressure somewhat different than atmospheric. An optical window is present at each end of the cell, and as the length of the cell is changed, the optical path length of a laser beam traversing the cell changes. The cell comprises movable coaxial tubes with seals and a volume equalizing opening. Because the cell is constant volume, the pressure, temperature, and density of the contained gas do not change as the cell changes length. This produces an exactly linear relationship between the change in the length of the gas cell and the change in optical phase of the laser beam traversing it. Because the refractive index difference between the gas inside and the atmosphere outside is very much the same, a large motion must be made to change the optical phase by the small fraction of a wavelength that is required by phase-shifting interferometry for its phase step. This motion can be made to great fractional accuracy.

On the Phase Transition of N-Isopropylcarbazole.

DTIC Science & Technology

1986-05-01

vacinity of the phase transition (ca. T 137 + 40 K). We propose a semiquantitative interpretation of the phase transition in NIPC based on this assumption...the order parameter fluctuations in the vacinity of TO . V. Conclusions. The elastic properties of NIPC in the temperature range 90 K - 295 K have

Fluctuation-driven electroweak phase transition. [in early universe

NASA Technical Reports Server (NTRS)

Gleiser, Marcelo; Kolb, Edward W.

1992-01-01

We examine the dynamics of the electroweak phase transition in the early Universe. For Higgs masses in the range 46 less than or = M sub H less than or = 150 GeV and top quark masses less than 200 GeV, regions of symmetric and asymmetric vacuum coexist to below the critical temperature, with thermal equilibrium between the two phases maintained by fluctuations of both phases. We propose that the transition to the asymmetric vacuum is completed by percolation of these subcritical fluctuations. Our results are relevant to scenarios of baryogenesis that invoke a weakly first-order phase transition at the electroweak scale.

Kinetics of the B1-B2 phase transition in KCl under rapid compression

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

Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.

2016-01-28

Kinetics of the B1-B2 phase transition in KCl has been investigated under various compression rates (0.03–13.5 GPa/s) in a dynamic diamond anvil cell using time-resolved x-ray diffraction and fast imaging. Our experimental data show that the volume fraction across the transition generally gives sigmoidal curves as a function of pressure during rapid compression. Based upon classical nucleation and growth theories (Johnson-Mehl-Avrami-Kolmogorov theories), we propose a model that is applicable for studying kinetics for the compression rates studied. The fit of the experimental volume fraction as a function of pressure provides information on effective activation energy and average activation volume at amore » given compression rate. The resulting parameters are successfully used for interpreting several experimental observables that are compression-rate dependent, such as the transition time, grain size, and over-pressurization. The effective activation energy (Q{sub eff}) is found to decrease linearly with the logarithm of compression rate. When Q{sub eff} is applied to the Arrhenius equation, this relationship can be used to interpret the experimentally observed linear relationship between the logarithm of the transition time and logarithm of the compression rates. The decrease of Q{sub eff} with increasing compression rate results in the decrease of the nucleation rate, which is qualitatively in agreement with the observed change of the grain size with compression rate. The observed over-pressurization is also well explained by the model when an exponential relationship between the average activation volume and the compression rate is assumed.« less

Unconventional transformation of spin Dirac phase across a topological quantum phase transition

DOE PAGES

Xu, Su -Yang; Neupane, Madhab; Belopolski, Ilya; ...

2015-04-17

The topology of a topological material can be encoded in its surface states. These surface states can only be removed by a bulk topological quantum phase transition into a trivial phase. Here we use photoemission spectroscopy to image the formation of protected surface states in a topological insulator as we chemically tune the system through a topological transition. Surprisingly, we discover an exotic spin-momentum locked, gapped surface state in the trivial phase that shares many important properties with the actual topological surface state in anticipation of the change of topology. Using a spin-resolved measurement, we show that apart from amore » surface bandgap these states develop spin textures similar to the topological surface states well before the transition. Our results provide a general paradigm for understanding how surface states in topological phases arise from a quantum phase transition and are suggestive for the future realization of Weyl arcs, condensed matter supersymmetry and other fascinating phenomena in the vicinity of a quantum criticality.« less

Phase Transitions in Geomorphology

NASA Astrophysics Data System (ADS)

Ortiz, C. P.; Jerolmack, D. J.

2015-12-01

Landscapes are patterns in a dynamic steady-state, due to competing processes that smooth or sharpen features over large distances and times. Geomorphic transport laws have been developed to model the mass-flux due to different processes, but are unreasonably effective at recovering the scaling relations of landscape features. Using a continuum approximation to compare experimental landscapes and the observed landscapes of the earth, one finds they share similar morphodynamics despite a breakdown of classical dynamical similarity between the two. We propose the origin of this effectiveness is a different kind of dynamic similarity in the statistics of initiation and cessation of motion of groups of grains, which is common to disordered systems of grains under external driving. We will show how the existing data of sediment transport points to common signatures with dynamical phase transitions between "mobile" and "immobile" phases in other disordered systems, particularly granular materials, colloids, and foams. Viewing landscape evolution from the lens of non-equilibrium statistical physics of disordered systems leads to predictions that the transition of bulk measurements such as particle flux is continuous from one phase to another, that the collective nature of the particle dynamics leads to very slow aging of bulk properties, and that the dynamics are history-dependent. Recent results from sediment transport experiments support these predictions, suggesting that existing geomorphic transport laws may need to be replaced by a new generation of stochastic models with ingredients based on the physics of disordered phase transitions. We discuss possible strategies for extracting the necessary information to develop these models from measurements of geomorphic transport noise by connecting particle-scale collective dynamics and space-time fluctuations over landscape features.

Electric control of magnetization reorientation in FeRh /BaTiO3 mediated by a magnetic phase transition

NASA Astrophysics Data System (ADS)

Odkhuu, Dorj

2017-10-01

Employing first-principles calculations we predict magnetization reorientation in FeRh films epitaxially grown on BaTiO3 by reversing the electric polarization or applying the strain effect, which is associated with the recently discovered voltage-induced interfacial magnetic-phase transition by R. O. Cherifi et al. [Nat. Mater. 13, 345 (2014), 10.1038/nmat3870]. We propose that this transition from antiferromagnetic to ferromagnetic phase is the results of the mutual mechanisms of the polarization-reversal-induced volume/strain expansion in the interfacial FeRh layers and the competition between direct and indirect exchange interactions. These mechanisms are mainly driven by the ferroelectrically driven hybridization between Fe and Ti 3 d orbital states at the interface. Such a strong hybridization can further involve Rh 4 d states with large spin-orbit coupling, which, rather than the Fe 3 d orbitals, is responsible for magnetization reorientation at the magnetic-phase transition. These findings point toward the feasibility of electric field control of magnetization switching associated with the magnetic-phase transition in an antiferromagnet structure.

Pressure-induced phase transitions of exposed curved surface nano-TiO{sub 2} with high photocatalytic activity

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

Huang, Yanwei, E-mail: yanwei.huang@hpstar.ac.cn, E-mail: wangling@hpstar.ac.cn; College of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou 310018; Chen, Fengjiao

We report a unique phase transition in compressed exposed curved surface nano-TiO{sub 2} with high photocatalytic activity using in situ synchrotron X-ray diffraction and Raman Spectroscopy. High-pressure studies indicate that the anatase phase starts to transform into baddeleyite phase upon compression at 19.4 GPa, and completely transforms into the baddeleyite phase above 24.6 GPa. Upon decompression, the baddeleyite phase was maintained until the pressure was released to 6.4 GPa and then transformed into the α-PbO{sub 2} phase at 2.7 GPa. Together with the results of high-resolution transmission electron microscopy and the pressure-volume relationship, this phase transition's characteristics during the compression-decompression cycle demonstrate that themore » truncated biconic morphology possessed excellent stability. This study may provide an insight to the mechanisms of stability for high photocatalytic activity of nano-TiO{sub 2}.« less

High-pressure phase transition and elastic behavior of aluminum compound semiconductors

NASA Astrophysics Data System (ADS)

Singh, R. K.; Singh, Sadhna

1992-01-01

A three-body-force-potential approach, developed earlier [Phys. Rev. B 39, 671 (1989)] for III-V compound semiconductors, has been extended to describe the high-pressure phase transition and elastic behavior of the remaining members (AlAs, AlSb, and AlP) of this family. We have obtained a reasonably better agreement between our theoretical (10.2, 6.6, and 18.0 GPa) and experimental (12.0, 8.3, and 14.0-17.0 GPa) results on the phase-transition pressures, respectively, in Al compounds (AlAs, AlSb, and AlP) than those obtained by Chelikowsky (31.0, 10.2, and 45.0 GPa) and by Zhang and Cohen (7.6, 5.6, and 9.3 GPa). The volume collapses and transition heats are also in good agreement with their experimental results available only in AlSb and they are comparable to those obtained by earlier workers. The variations of the second-order elastic constants with pressure have shown systematic trends in all Al compounds similar to those observed in other compounds of zinc-blende structure. The present approach has also succeeded in predicting the relative stability and satisfying the Born stability criterion. The slight disagreements have been ascribed to the exclusion of covalency effects.

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.

Emergence and Phase Transitions

NASA Astrophysics Data System (ADS)

Sikkema, Arnold

2006-05-01

Phase transitions are well defined in physics through concepts such as spontaneous symmetry breaking, order parameter, entropy, and critical exponents. But emergence --- also exhibiting whole-part relations (such as top-down influence), unpredictability, and insensitivity to microscopic detail --- is a loosely-defined concept being used in many disciplines, particularly in psychology, biology, philosophy, as well as in physics[1,2]. I will review the concepts of emergence as used in the various fields and consider the extent to which the methods of phase transitions can clarify the usefulness of the concept of emergence both within the discipline of physics and beyond.1. Robert B. Laughlin, A Different Universe: Reinventing Physics from the Bottom Down (New York: Basic Books, 2005). 2. George F.R. Ellis, ``Physics and the Real World'', Physics Today, vol. 58, no. 7 (July 2005) pp. 49-54.

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.

Phase transition and entropy inequality of noncommutative black holes in a new extended phase space

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

Miao, Yan-Gang; Xu, Zhen-Ming, E-mail: miaoyg@nankai.edu.cn, E-mail: xuzhenm@mail.nankai.edu.cn

We analyze the thermodynamics of the noncommutative high-dimensional Schwarzschild-Tangherlini AdS black hole with the non-Gaussian smeared matter distribution by regarding a noncommutative parameter as an independent thermodynamic variable named as the noncommutative pressure . In the new extended phase space that includes this noncommutative pressure and its conjugate variable, we reveal that the noncommutative pressure and the original thermodynamic pressure related to the negative cosmological constant make the opposite effects in the phase transition of the noncommutative black hole, i.e. the former dominates the UV regime while the latter does the IR regime, respectively. In addition, by means of themore » reverse isoperimetric inequality, we indicate that only the black hole with the Gaussian smeared matter distribution holds the maximum entropy for a given thermodynamic volume among the noncommutative black holes with various matter distributions.« less

Domain wall formation in late-time phase transitions

NASA Technical Reports Server (NTRS)

Kolb, Edward W.; Wang, Yun

1992-01-01

We examine domain wall formulation in late time phase transitions. We find that in the invisible axion domain wall phenomenon, thermal effects alone are insufficient to drive different parts of the disconnected vacuum manifold. This suggests that domain walls do not form unless either there is some supplemental (but perhaps not unreasonable) dynamics to localize the scalar field responsible for the phase transition to the low temperature maximum (to an extraordinary precision) before the onset of the phase transition, or there is some non-thermal mechanism to produce large fluctuations in the scalar field. The fact that domain wall production is not a robust prediction of late time transitions may suggest future directions in model building.

Dimension changing phase transitions in instanton crystals

NASA Astrophysics Data System (ADS)

Kaplunovsky, Vadim; Sonnenschein, Jacob

2014-04-01

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

Phase transitions in Group III-V and II-VI semiconductors at high pressure

NASA Technical Reports Server (NTRS)

Yu, S. C.; Liu, C. Y.; Spain, I. L.; Skelton, E. F.

1979-01-01

The structures and transition pressures of Group III-V and II-VI semiconductors and of a pseudobinary system (Ga/x/In/1-x/Sb) have been investigated. Results indicate that GaP, InSb, GaSb, GaAs and possible AlP assume Metallic structures at high pressures; a tetragonal, beta-Sn-like structure is adopted by only InSb and GaSb. The rocksalt phase is preferred in InP, InAs, AlSb, ZnO and ZnS. The model of Van Vechten (1973) gives transition pressures which are in good agreement with measured values, but must be refined to account for the occurrence of the ionic rocksalt structure in some compounds. In addition, discrepancies between the theoretical scaling values for volume changes at the semiconductor-to-metal transitions are observed.

Coupled Structural, Thermal, Phase-change and Electromagnetic Analysis for Superconductors, Volume 2

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Park, K. C.; Militello, C.; Schuler, J. J.

1996-01-01

Described are the theoretical development and computer implementation of reliable and efficient methods for the analysis of coupled mechanical problems that involve the interaction of mechanical, thermal, phase-change and electromag subproblems. The focus application has been the modeling of superconductivity and associated quantum-state phase change phenomena. In support of this objective the work has addressed the following issues: (1) development of variational principles for finite elements, (2) finite element modeling of the electromagnetic problem, (3) coupling of thermel and mechanical effects, and (4) computer implementation and solution of the superconductivity transition problem. The main accomplishments have been: (1) the development of the theory of parametrized and gauged variational principles, (2) the application of those principled to the construction of electromagnetic, thermal and mechanical finite elements, and (3) the coupling of electromagnetic finite elements with thermal and superconducting effects, and (4) the first detailed finite element simulations of bulk superconductors, in particular the Meissner effect and the nature of the normal conducting boundary layer. The theoretical development is described in two volumes. Volume 1 describes mostly formulation specific problems. Volume 2 describes generalization of those formulations.

Phase transition for the system of finite volume in the ϕ4 theory in the Tsallis nonextensive statistics

NASA Astrophysics Data System (ADS)

Ishihara, Masamichi

2018-04-01

We studied the effects of nonextensivity on the phase transition for the system of finite volume V in the ϕ4 theory in the Tsallis nonextensive statistics of entropic parameter q and temperature T, when the deviation from the Boltzmann-Gibbs (BG) statistics, |q ‑ 1|, is small. We calculated the condensate and the effective mass to the order q ‑ 1 with the normalized q-expectation value under the free particle approximation with zero bare mass. The following facts were found. The condensate Φ divided by v, Φ/v, at q (v is the value of the condensate at T = 0) is smaller than that at q‧ for q > q‧ as a function of Tph/v which is the physical temperature Tph divided by v. The physical temperature Tph is related to the variation of the Tsallis entropy and the variation of the internal energies, and Tph at q = 1 coincides with T. The effective mass decreases, reaches minimum, and increases after that, as Tph increases. The effective mass at q > 1 is lighter than the effective mass at q = 1 at low physical temperature and heavier than the effective mass at q = 1 at high physical temperature. The effects of the nonextensivity on the physical quantity as a function of Tph become strong as |q ‑ 1| increases. The results indicate the significance of the definition of the expectation value, the definition of the physical temperature, and the constraints for the density operator, when the terms including the volume of the system are not negligible.

A Bayesian Interpretation of First-Order Phase Transitions

NASA Astrophysics Data System (ADS)

Davis, Sergio; Peralta, Joaquín; Navarrete, Yasmín; González, Diego; Gutiérrez, Gonzalo

2016-03-01

In this work we review the formalism used in describing the thermodynamics of first-order phase transitions from the point of view of maximum entropy inference. We present the concepts of transition temperature, latent heat and entropy difference between phases as emergent from the more fundamental concept of internal energy, after a statistical inference analysis. We explicitly demonstrate this point of view by making inferences on a simple game, resulting in the same formalism as in thermodynamical phase transitions. We show that analogous quantities will inevitably arise in any problem of inferring the result of a yes/no question, given two different states of knowledge and information in the form of expectation values. This exposition may help to clarify the role of these thermodynamical quantities in the context of different first-order phase transitions such as the case of magnetic Hamiltonians (e.g. the Potts model).

Micellar-shape anisometry near isotropic-liquid-crystal phase transitions

NASA Astrophysics Data System (ADS)

Itri, R.; Amaral, L. Q.

1993-04-01

Micellar phases of the sodium dodecyl (lauryl) sulfate (SLS)-water-decanol system have been studied by x-ray scattering in the isotropic (I) phase, with emphasis on the I-->hexagonal (Hα) and I-->nematic-cylindrical (Nc) lyotropic liquid-crystal phase transitions. Analysis of the scattering curves is made through modeling of the product P(q)S(q), where P(q) is the micellar form factor and S(q) is the intermicellar interference function, calculated from screened Coulombic repulsion in a mean spherical approximation. Results show that micelles grow more by decanol addition near the I-->Nc transition (anisometry ν~=3) than by increased amphiphile concentration in the binary system near the I-->Hα phase transition (ν~=2.4). These results compare well with recent theories for isotropic-liquid-crystal phase transitions.

Reconstructive structural phase transitions in dense Mg

NASA Astrophysics Data System (ADS)

Yao, Yansun; Klug, Dennis D.

2012-07-01

The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied.

Reconstructive structural phase transitions in dense Mg.

PubMed

Yao, Yansun; Klug, Dennis D

2012-07-04

The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied.

Pressure induced structural phase transition in solid oxidizer KClO3: A first-principles study

NASA Astrophysics Data System (ADS)

Yedukondalu, N.; Ghule, Vikas D.; Vaitheeswaran, G.

2013-05-01

High pressure behavior of potassium chlorate (KClO3) has been investigated from 0 to 10 GPa by means of first principles density functional theory calculations. The calculated ground state parameters, transition pressure, and phonon frequencies using semiempirical dispersion correction scheme are in excellent agreement with experiment. It is found that KClO3 undergoes a pressure induced first order phase transition with an associated volume collapse of 6.4% from monoclinic (P21/m) → rhombohedral (R3m) structure at 2.26 GPa, which is in good accord with experimental observation. However, the transition pressure was found to underestimate (0.11 GPa) and overestimate (3.57 GPa) using local density approximation and generalized gradient approximation functionals, respectively. Mechanical stability of both the phases is explained from the calculated single crystal elastic constants. In addition, the zone center phonon frequencies have been calculated using density functional perturbation theory at ambient as well as at high pressure and the lattice modes are found to soften under pressure between 0.6 and 1.2 GPa. The present study reveals that the observed structural phase transition leads to changes in the decomposition mechanism of KClO3 which corroborates with the experimental results.

Pressure induced structural phase transition in solid oxidizer KClO3: a first-principles study.

PubMed

Yedukondalu, N; Ghule, Vikas D; Vaitheeswaran, G

2013-05-07

High pressure behavior of potassium chlorate (KClO3) has been investigated from 0 to 10 GPa by means of first principles density functional theory calculations. The calculated ground state parameters, transition pressure, and phonon frequencies using semiempirical dispersion correction scheme are in excellent agreement with experiment. It is found that KClO3 undergoes a pressure induced first order phase transition with an associated volume collapse of 6.4% from monoclinic (P2(1)/m) → rhombohedral (R3m) structure at 2.26 GPa, which is in good accord with experimental observation. However, the transition pressure was found to underestimate (0.11 GPa) and overestimate (3.57 GPa) using local density approximation and generalized gradient approximation functionals, respectively. Mechanical stability of both the phases is explained from the calculated single crystal elastic constants. In addition, the zone center phonon frequencies have been calculated using density functional perturbation theory at ambient as well as at high pressure and the lattice modes are found to soften under pressure between 0.6 and 1.2 GPa. The present study reveals that the observed structural phase transition leads to changes in the decomposition mechanism of KClO3 which corroborates with the experimental results.

Phase transition of a cobalt-free perovskite as a high-performance cathode for intermediate-temperature solid oxide fuel cells.

PubMed

Jiang, Shanshan; Zhou, Wei; Niu, Yingjie; Zhu, Zhonghua; Shao, Zongping

2012-10-01

It is generally recognized that the phase transition of a perovskite may be detrimental to the connection between cathode and electrolyte. Moreover, certain phase transitions may induce the formation of poor electronic and ionic conducting phase(s), thereby lowering the electrochemical performance of the cathode. Here, we present a study on the phase transition of a cobalt-free perovskite (SrNb(0.1)Fe(0.9)O(3-δ), SNF) and evaluate its effect on the electrochemical performance of the fuel cell. SNF exists as a primitive perovskite structure with space group P4mm (99) at room temperature. As evidenced by in situ high-temperature X-ray diffraction measurements over the temperature range of 600 to 1000 °C, SNF undergoes a transformation to a tetragonal structure with a space group I4/m (87). This phase transition is accompanied by a moderate change in the volume, allowing a good cathode/electrolyte interface on thermal cycling. According to the electrochemical impedance spectroscopy evaluation, the I4/m phase exhibits positive effects on the cathode's performance, showing the highest oxygen reduction reaction activity of cobalt-free cathodes reported so far. This activity improvement is attributed to enhanced oxygen surface processes. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical study for volume changes associated with the helix-coil transition of peptides.

PubMed

Imai, T; Harano, Y; Kovalenko, A; Hirata, F

2001-12-01

We calculate the partial molar volumes and their changes associated with the coil(extended)-to-helix transition of two types of peptide, glycine-oligomer and glutamic acid-oligomer, in aqueous solutions by using the Kirkwood-Buff solution theory coupled with the three-dimensional reference interaction site model (3D-RISM) theory. The volume changes associated with the transition are small and positive. The volume is analyzed by decomposing it into five contributions following the procedure proposed by Chalikian and Breslauer: the ideal volume, the van der Waals volume, the void volume, the thermal volume, and the interaction volume. The ideal volumes and the van der Waals volumes do not change appreciably upon the transition. In the both cases of glycine-peptide and glutamic acid-peptide, the changes in the void volumes are positive, while those in the thermal volumes are negative, and tend to balance those in the void volumes. The change in the interaction volume of glycine-peptide does not significantly contribute, while that of glutamic acid-peptide makes a negative contribution. Copyright 2001 John Wiley & Sons, Inc. Biopolymers 59: 512-519, 2001

Baryogenesis via leptonic CP-violating phase transition

NASA Astrophysics Data System (ADS)

Pascoli, Silvia; Turner, Jessica; Zhou, Ye-Ling

2018-05-01

We propose a new mechanism to generate a lepton asymmetry based on the vacuum CP-violating phase transition (CPPT). This approach differs from classical thermal leptogenesis as a specific seesaw model, and its UV completion, need not be specified. The lepton asymmetry is generated via the dynamically realised coupling of the Weinberg operator during the phase transition. This mechanism provides a connection with low-energy neutrino observables.

Nonequilibrium Phase Transition in a Model for Social Influence

NASA Astrophysics Data System (ADS)

Castellano, Claudio; Marsili, Matteo; Vespignani, Alessandro

2000-10-01

We present extensive numerical simulations of the Axelrod's model for social influence, aimed at understanding the formation of cultural domains. This is a nonequilibrium model with short range interactions and a remarkably rich dynamical behavior. We study the phase diagram of the model and uncover a nonequilibrium phase transition separating an ordered (culturally polarized) phase from a disordered (culturally fragmented) one. The nature of the phase transition can be continuous or discontinuous depending on the model parameters. At the transition, the size of cultural regions is power-law distributed.

High-pressure phase transitions - Examples of classical predictability

NASA Astrophysics Data System (ADS)

Celebonovic, Vladan

1992-09-01

The applicability of the Savic and Kasanin (1962-1967) classical theory of dense matter to laboratory experiments requiring estimates of high-pressure phase transitions was examined by determining phase transition pressures for a set of 19 chemical substances (including elements, hydrocarbons, metal oxides, and salts) for which experimental data were available. A comparison between experimental and transition points and those predicted by the Savic-Kasanin theory showed that the theory can be used for estimating values of transition pressures. The results also support conclusions obtained in previous astronomical applications of the Savic-Kasanin theory.

Dynamical quantum phase transitions in discrete time crystals

NASA Astrophysics Data System (ADS)

Kosior, Arkadiusz; Sacha, Krzysztof

2018-05-01

Discrete time crystals are related to nonequilibrium dynamics of periodically driven quantum many-body systems where the discrete time-translation symmetry of the Hamiltonian is spontaneously broken into another discrete symmetry. Recently, the concept of phase transitions has been extended to nonequilibrium dynamics of time-independent systems induced by a quantum quench, i.e., a sudden change of some parameter of the Hamiltonian. There, the return probability of a system to the ground state reveals singularities in time which are dubbed dynamical quantum phase transitions. We show that the quantum quench in a discrete time crystal leads to dynamical quantum phase transitions where the return probability of a periodically driven system to a Floquet eigenstate before the quench reveals singularities in time. It indicates that dynamical quantum phase transitions are not restricted to time-independent systems and can be also observed in systems that are periodically driven. We discuss how the phenomenon can be observed in ultracold atomic gases.

Analyzing phase diagrams and phase transitions in networked competing populations

NASA Astrophysics Data System (ADS)

Ni, Y.-C.; Yin, H. P.; Xu, C.; Hui, P. M.

2011-03-01

Phase diagrams exhibiting the extent of cooperation in an evolutionary snowdrift game implemented in different networks are studied in detail. We invoke two independent payoff parameters, unlike a single payoff often used in most previous works that restricts the two payoffs to vary in a correlated way. In addition to the phase transition points when a single payoff parameter is used, phase boundaries separating homogeneous phases consisting of agents using the same strategy and a mixed phase consisting of agents using different strategies are found. Analytic expressions of the phase boundaries are obtained by invoking the ideas of the last surviving patterns and the relative alignments of the spectra of payoff values to agents using different strategies. In a Watts-Strogatz regular network, there exists a re-entrant phenomenon in which the system goes from a homogeneous phase into a mixed phase and re-enters the homogeneous phase as one of the two payoff parameters is varied. The non-trivial phase diagram accompanying this re-entrant phenomenon is quantitatively analyzed. The effects of noise and cooperation in randomly rewired Watts-Strogatz networks are also studied. The transition between a mixed phase and a homogeneous phase is identify to belong to the directed percolation universality class. The methods used in the present work are applicable to a wide range of problems in competing populations of networked agents.

Temperature anomalies of shock and isentropic waves of quark-hadron phase transition

NASA Astrophysics Data System (ADS)

Konyukhov, A. V.; Iosilevskiy, I. L.; Levashov, P. R.; Likhachev, A. P.

2018-01-01

In this work, we consider a phenomenological equation of state, which combinesstatistical description for hadron gas and a bag-model-based approach for the quark-gluon plasma. The equation of state is based on the excluded volume method in its thermodynamically consistent variant from Satarov et al [2009 Phys. At. Nucl. 72 1390]. The characteristic shape of the Taub adiabats and isentropes in the phase diagram is affected by the anomalous pressure-temperature dependence along the curve of phase equilibrium. The adiabats have kink points at the boundary of the two-phase region, inside which the temperature decreases with compression. Thermodynamic properties of matter observed in the quark-hadron phase transition region lead to hydrodynamic anomalies (in particular, to the appearance of composite compression and rarefaction waves). On the basis of relativistic hydrodynamics equations we investigate and discuss the structure and anomalous temperature behavior in these waves.

Sensitivity to perturbations and quantum phase transitions.

PubMed

Wisniacki, D A; Roncaglia, A J

2013-05-01

The local density of states or its Fourier transform, usually called fidelity amplitude, are important measures of quantum irreversibility due to imperfect evolution. In this Rapid Communication we study both quantities in a paradigmatic many body system, the Dicke Hamiltonian, where a single-mode bosonic field interacts with an ensemble of N two-level atoms. This model exhibits a quantum phase transition in the thermodynamic limit, while for finite instances the system undergoes a transition from quasi-integrability to quantum chaotic. We show that the width of the local density of states clearly points out the imprints of the transition from integrability to chaos but no trace remains of the quantum phase transition. The connection with the decay of the fidelity amplitude is also established.

Thermodynamic phase transition of a black hole in rainbow gravity

NASA Astrophysics Data System (ADS)

Feng, Zhong-Wen; Yang, Shu-Zheng

2017-09-01

In this letter, using the rainbow functions that were proposed by Magueijo and Smolin, we investigate the thermodynamics and the phase transition of rainbow Schwarzschild black hole. First, we calculate the rainbow gravity corrected Hawking temperature. From this modification, we then derive the local temperature, free energy, and other thermodynamic quantities in an isothermal cavity. Finally, we analyze the critical behavior, thermodynamic stability, and phase transition of the rainbow Schwarzschild black hole. The results show that the rainbow gravity can stop the Hawking radiation in the final stages of black holes' evolution and lead to the remnants of black holes. Furthermore, one can observe that the rainbow Schwarzschild black hole has one first-order phase transition, two second-order phase transitions, and three Hawking-Page-type phase transitions in the framework of rainbow gravity theory.

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

The isotropic-nematic phase transition of tangent hard-sphere chain fluids—Pure components

NASA Astrophysics Data System (ADS)

van Westen, Thijs; Oyarzún, Bernardo; Vlugt, Thijs J. H.; Gross, Joachim

2013-07-01

An extension of Onsager's second virial theory is developed to describe the isotropic-nematic phase transition of tangent hard-sphere chain fluids. Flexibility is introduced by the rod-coil model. The effect of chain-flexibility on the second virial coefficient is described using an accurate, analytical approximation for the orientation-dependent pair-excluded volume. The use of this approximation allows for an analytical treatment of intramolecular flexibility by using a single pure-component parameter. Two approaches to approximate the effect of the higher virial coefficients are considered, i.e., the Vega-Lago rescaling and Scaled Particle Theory (SPT). The Onsager trial function is employed to describe the orientational distribution function. Theoretical predictions for the equation of state and orientational order parameter are tested against the results from Monte Carlo (MC) simulations. For linear chains of length 9 and longer, theoretical results are in excellent agreement with MC data. For smaller chain lengths, small errors introduced by the approximation of the higher virial coefficients become apparent, leading to a small under- and overestimation of the pressure and density difference at the phase transition, respectively. For rod-coil fluids of reasonable rigidity, a quantitative comparison between theory and MC simulations is obtained. For more flexible chains, however, both the Vega-Lago rescaling and SPT lead to a small underestimation of the location of the phase transition.

Determination of void volume in normal phase liquid chromatography.

PubMed

Jiang, Ping; Wu, Di; Lucy, Charles A

2014-01-10

Void volume is an important fundamental parameter in chromatography. Little prior discussion has focused on the determination of void volume in normal phase liquid chromatography (NPLC). Various methods to estimate the total void volume are compared: pycnometry; minor disturbance method based on injection of weak solvent; tracer pulse method; hold-up volume based on unretained compounds; and accessible volume based on Martin's rule and its descendants. These are applied to NPLC on silica, RingSep and DNAP columns. Pycnometry provides a theoretically maximum value for the total void volume and should be performed at least once for each new column. However, pycnometry does not reflect the volume of adsorbed strong solvent on the stationary phase, and so only yields an accurate void volume for weaker mobile phase conditions. 1,3,5-Tri-t-butyl benzene (TTBB) results in hold-up volumes that are convenient measures of the void volume for all eluent conditions on charge-transfer columns (RingSep and DNAP), but is weakly retained under weak eluent conditions on silica. Injection of the weak mobile phase component (hexane) may be used to determine void volume, but care must be exercised to select the appropriate disturbance feature. Accessible volumes, that are determined using a homologous series, are always biased low, and are not recommended as a measure of the void volume. Copyright © 2013 Elsevier B.V. All rights reserved.

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.

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.

Multipartite entanglement characterization of a quantum phase transition

NASA Astrophysics Data System (ADS)

Costantini, G.; Facchi, P.; Florio, G.; Pascazio, S.

2007-07-01

A probability density characterization of multipartite entanglement is tested on the one-dimensional quantum Ising model in a transverse field. The average and second moment of the probability distribution are numerically shown to be good indicators of the quantum phase transition. We comment on multipartite entanglement generation at a quantum phase transition.

Calorimetric Study of Phase Transitions Involving Twist-Grain-Boundary TGB{A} and TGB{C} Phases

NASA Astrophysics Data System (ADS)

Navailles, L.; Garland, C. W.; Nguyen, H. T.

1996-09-01

High-resolution calorimetry has been used to determine the heat capacity and latent heat associated with phase transitions in the homologous series of chiral liquid crystals nF_2BTFO_1M_7 [ 3-fluoro-4(1-methylheptyloxy)4'-(4''-alkoxy-2'', 3''-difluorobenzoyloxy)tolane] . These compounds exhibit smectic-C^* (SmC^*), twist-grain-boundary (TGBA for n=10, TGBC for n=11, 12) and cholesteric (N^*) phases. All the phase transitions are first order with small to moderate latent heats. There is a large rounded excess heat capacity peak in the N^* phase that is consistent with the predicted appearance of short-range TGB order (chiral line liquid character). This is analogous to the development of an Abrikosov flux vortex liquid in type-II superconductors. Both the n=11 and 12 homologs exhibit two closely spaced transitions in the region where a single TGBC - N^* transition was expected. This suggests the existence of two thermodynamically distinct TGBC phases. Des exprériences de calorimétrie haute résolution ont été réalisées pour déterminer les chaleurs spécifiques et les chaleurs latentes associées aux transitions de phase des homologues de la série crystal liquide nF_2BTFO_1M_7: 3-fluoro-4[1-methyl-heptyloxy]4'-(4''-alcoxy-2'', 3''-difluorobenzoyloxy)tolanes. Ces produits présentent la phase smectique C^* (SmC^*), les phases à torsion par joint de grain (TGBA pour n=10 et TGBC pour n=11, 12) et la phase cholestérique (N^*). Toutes les transitions de phase sont du premier ordre. La chaleur latente associée à ces transitions est faibles ou modérée. Nous observons, dans la phase N^*, un grand pic arrondi qui est en accord avec les prédictions de l'apparition d'un ordre TGB à courte distance (liquide de ligne de dislocation). Ce phénomène est l'analogue du liquide de vortex dans les supraconducteurs de type II. Les composés n=11 et 12 présentent, dans la région où nous attendions une transition TGBC - N^* unique, deux transitions sur un très faible

QCD phase transition with chiral quarks and physical quark masses.

PubMed

Bhattacharya, Tanmoy; Buchoff, Michael I; Christ, Norman H; Ding, H-T; Gupta, Rajan; Jung, Chulwoo; Karsch, F; Lin, Zhongjie; Mawhinney, R D; McGlynn, Greg; Mukherjee, Swagato; Murphy, David; Petreczky, P; Renfrew, Dwight; Schroeder, Chris; Soltz, R A; Vranas, P M; Yin, Hantao

2014-08-22

We report on the first lattice calculation of the QCD phase transition using chiral fermions with physical quark masses. This calculation uses 2+1 quark flavors, spatial volumes between (4 fm)(3) and (11 fm)(3) and temperatures between 139 and 196 MeV. Each temperature is calculated at a single lattice spacing corresponding to a temporal Euclidean extent of N(t) = 8. The disconnected chiral susceptibility, χ(disc) shows a pronounced peak whose position and height depend sensitively on the quark mass. We find no metastability near the peak and a peak height which does not change when a 5 fm spatial extent is increased to 10 fm. Each result is strong evidence that the QCD "phase transition" is not first order but a continuous crossover for m(π) = 135 MeV. The peak location determines a pseudocritical temperature T(c) = 155(1)(8) MeV, in agreement with earlier staggered fermion results. However, the peak height is 50% greater than that suggested by previous staggered results. Chiral SU(2)(L) × SU(2)(R) symmetry is fully restored above 164 MeV, but anomalous U(1)(A) symmetry breaking is nonzero above T(c) and vanishes as T is increased to 196 MeV.

Generic first-order phase transitions between isotropic and orientational phases with polyhedral symmetries

NASA Astrophysics Data System (ADS)

Liu, Ke; Greitemann, Jonas; Pollet, Lode

2018-01-01

Polyhedral nematics are examples of exotic orientational phases that possess a complex internal symmetry, representing highly nontrivial ways of rotational symmetry breaking, and are subject to current experimental pursuits in colloidal and molecular systems. The classification of these phases has been known for a long time; however, their transitions to the disordered isotropic liquid phase remain largely unexplored, except for a few symmetries. In this work, we utilize a recently introduced non-Abelian gauge theory to explore the nature of the underlying nematic-isotropic transition for all three-dimensional polyhedral nematics. The gauge theory can readily be applied to nematic phases with an arbitrary point-group symmetry, including those where traditional Landau methods and the associated lattice models may become too involved to implement owing to a prohibitive order-parameter tensor of high rank or (the absence of) mirror symmetries. By means of exhaustive Monte Carlo simulations, we find that the nematic-isotropic transition is generically first-order for all polyhedral symmetries. Moreover, we show that this universal result is fully consistent with our expectation from a renormalization group approach, as well as with other lattice models for symmetries already studied in the literature. We argue that extreme fine tuning is required to promote those transitions to second-order ones. We also comment on the nature of phase transitions breaking the O(3 ) symmetry in general cases.

Anomalous phase behavior of first-order fluid-liquid phase transition in phosphorus

NASA Astrophysics Data System (ADS)

Zhao, G.; Wang, H.; Hu, D. M.; Ding, M. C.; Zhao, X. G.; Yan, J. L.

2017-11-01

Although the existence of liquid-liquid phase transition has become more and more convincing, whether it will terminate at a critical point and what is the order parameter are still open. To explore these questions, we revisit the fluid-liquid phase transition (FLPT) in phosphorus (P) and study its phase behavior by performing extensive first-principles molecular dynamics simulations. The FLPT observed in experiments is well reproduced, and a fluid-liquid critical point (FLCP) at T = 3000 ˜ 3500 K, P = 1.5-2.0 Kbar is found. With decreasing temperature from the FLCP along the transition line, the density difference (Δρ) between two coexisting phases first increases from zero and then anomalously decreases; however, the entropy difference (ΔS) continuously increases from zero. These features suggest that an order parameter containing contributions from both the density and the entropy is needed to describe the FLPT in P, and at least at low temperatures, the entropy, instead of the density, governs the FLPT.

Quantum phase transition between cluster and antiferromagnetic states

NASA Astrophysics Data System (ADS)

Son, W.; Amico, L.; Fazio, R.; Hamma, A.; Pascazio, S.; Vedral, V.

2011-09-01

We study a Hamiltonian system describing a three-spin-1/2 cluster-like interaction competing with an Ising-like exchange. We show that the ground state in the cluster phase possesses symmetry protected topological order. A continuous quantum phase transition occurs as result of the competition between the cluster and Ising terms. At the critical point the Hamiltonian is self-dual. The geometric entanglement is also studied and used to investigate the quantum phase transition. Our findings in one dimension corroborate the analysis of the two-dimensional generalization of the system, indicating, at a mean-field level, the presence of a direct transition between an antiferromagnetic and a valence bond solid ground state.

Investigating phase transition temperatures of size separated gadolinium silicide magnetic nanoparticles

NASA Astrophysics Data System (ADS)

Hunagund, Shivakumar G.; Harstad, Shane M.; El-Gendy, Ahmed A.; Gupta, Shalabh; Pecharsky, Vitalij K.; Hadimani, Ravi L.

2018-05-01

Gadolinium silicide (Gd5Si4) nanoparticles (NPs) exhibit different properties compared to their parent bulk materials due to finite size, shape, and surface effects. NPs were prepared by high energy ball-milling of the as-cast Gd5Si4 ingot and size separated into eight fractions using time sensitive sedimentation in an applied dc magnetic field with average particle sizes ranging from 700 nm to 82 nm. The largest Gd5Si4 NPs order ferromagnetically at 316 K. A second anomaly observed at 110 K can be ascribed to a Gd5Si3 impurity. As the particle sizes decrease, the volume fraction of Gd5Si3 phase increases at the expense of the Gd5Si4 phase, and the ferromagnetic transition temperature of Gd5Si4 is reduced from 316 K to 310 K, while the ordering of the minor phase is independent of the particle size, remaining at 110 K.

Shear induced phase transitions induced in edible fats

NASA Astrophysics Data System (ADS)

Mazzanti, Gianfranco; Welch, Sarah E.; Marangoni, Alejandro G.; Sirota, Eric B.; Idziak, Stefan H. J.

2003-03-01

The food industry crystallizes fats under different conditions of temperature and shear to obtain products with desired crystalline phases. Milk fat, palm oil, cocoa butter and chocolate were crystallized from the melt in a temperature controlled Couette cell. Synchrotron x-ray diffraction studies were conducted to examine the role of shear on the phase transitions seen in edible fats. The shear forces on the crystals induced acceleration of the alpha to beta-prime phase transition with increasing shear rate in milk fat and palm oil. The increase was slow at low shear rates and became very strong above 360 s-1. In cocoa butter the acceleration between beta-prime-III and beta-V phase transition increased until a maximum of at 360 s-1, and then decreased, showing competition between enhanced heat transfer and viscous heat generation.

Quantum phase transitions in the noncommutative Dirac oscillator

NASA Astrophysics Data System (ADS)

Panella, O.; Roy, P.

2014-10-01

We study the (2 + 1)-dimensional Dirac oscillator in a homogeneous magnetic field in the noncommutative plane. It is shown that the effect of noncommutativity is twofold: (i) momentum noncommuting coordinates simply shift the critical value (Bcr) of the magnetic field at which the well known left-right chiral quantum phase transition takes place (in the commuting phase); (ii) noncommutativity in the space coordinates induces a new critical value of the magnetic field, Bcr*, where there is a second quantum phase transition (right-left): this critical point disappears in the commutative limit. The change in chirality associated with the magnitude of the magnetic field is examined in detail for both critical points. The phase transitions are described in terms of the magnetization of the system. Possible applications to the physics of silicene and graphene are briefly discussed.

Investigating the evolution of the phase behavior of AOT-based w/o microemulsions in dodecane as a function of droplet volume fraction.

PubMed

Ganguly, R; Choudhury, N

2012-04-15

AOT-based water in oil (w/o) microemulsions are one of the most extensively studied reverse micellar systems because of their rich phase behavior and their ability to form in the absence of any co-surfactant. The aggregation characteristics and interaction of the microemulsion droplets in these systems are known to be governed by AOT-oil compatibility and water to AOT molar ratio (w). In this manuscript by using Dynamic Light Scattering (DLS) and viscometry techniques, we show that droplet volume fraction too plays an important role in shaping the phase behavior of these microemulsions in dodecane. The phase separation characteristics and the evolution of the viscosity and the hydrodynamic radius of the microemulsion droplets on approaching the cloud points have thus been found to undergo complete transformation as one goes from low to high droplet volume fraction even at a fixed 'w'. Modeling of the DLS data attributes this to the weakening of inter droplet attractive interaction caused by the growing dominance of the excluded volume effect with increase in droplet volume fraction. In the literature, the inter droplet attractive interaction driven phase separation in these microemulsions is explained based on gas-liquid type phase transition, conceptualized in the framework of Baxter adhesive hard sphere theory. The modeling of our viscosity data, however, does not support such proposition as the characteristic stickiness parameter (τ(-1)) of the microemulsion droplets in this system remains much lower than the critical value (τ(c)(-1)≈10.25) required to enforce such phase transition. Copyright © 2012 Elsevier Inc. All rights reserved.

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.

Electronic, ductile, phase transition and mechanical properties of Lu-monopnictides under high pressures.

PubMed

Gupta, Dinesh C; Bhat, Idris Hamid

2013-12-01

The structural, elastic and electronic properties of lutatium-pnictides (LuN, LuP, LuAs, LuSb, and LuBi) were analyzed by using full-potential linearized augmented plane wave within generalized gradient approximation in the stable rock-salt structure (B1 phase) with space group Fm-3m and high-pressure CsCl structure (B2 phase) with space group Pm-3m. Hubbard-U and spin-orbit coupling were included to predict correctly the semiconducting band gap of LuN. Under compression, these materials undergo first-order structural transitions from B1 to B2 phases at 241, 98, 56.82, 25.2 and 32.3 GPa, respectively. The computed elastic properties show that LuBi is ductile by nature. The electronic structure calculations show that LuN is semiconductor at ambient conditions with an indirect band gap of 1.55 eV while other Lu-pnictides are metallic. It was observed that LuN shows metallization at high pressures. The structural properties, viz, equilibrium lattice constant, bulk modulus and its pressure derivative, transition pressure, equation of state, volume collapse, band gap and elastic moduli, show good agreement with available data.

Non-equilibrium phase transitions in a liquid crystal

NASA Astrophysics Data System (ADS)

Dan, K.; Roy, M.; Datta, A.

2015-09-01

The present manuscript describes kinetic behaviour of the glass transition and non-equilibrium features of the "Nematic-Isotropic" (N-I) phase transition of a well known liquid crystalline material N-(4-methoxybenzylidene)-4-butylaniline from the effects of heating rate and initial temperature on the transitions, through differential scanning calorimetry (DSC), Fourier transform infrared and fluorescence spectroscopy. Around the vicinity of the glass transition temperature (Tg), while only a change in the baseline of the ΔCp vs T curve is observed for heating rate (β) > 5 K min-1, consistent with a glass transition, a clear peak for β ≤ 5 K min-1 and the rapid reduction in the ΔCp value from the former to the latter rate correspond to an order-disorder transition and a transition from ergodic to non-ergodic behaviour. The ln β vs 1000/T curve for the glass transition shows convex Arrhenius behaviour that can be explained very well by a purely entropic activation barrier [Dan et al., Eur. Phys. Lett. 108, 36007 (2014)]. Fourier transform infrared spectroscopy indicates sudden freezing of the out-of-plane distortion vibrations of the benzene rings around the glass transition temperature and a considerable red shift indicating enhanced coplanarity of the benzene rings and, consequently, enhancement in the molecular ordering compared to room temperature. We further provide a direct experimental evidence of the non-equilibrium nature of the N-I transition through the dependence of this transition temperature (TNI) and associated enthalpy change (ΔH) on the initial temperature (at fixed β-values) for the DSC scans. A plausible qualitative explanation based on Mesquita's extension of Landau-deGennes theory [O. N. de Mesquita, Braz. J. Phys. 28, 257 (1998)] has been put forward. The change in the molecular ordering from nematic to isotropic phase has been investigated through fluorescence anisotropy measurements where the order parameter, quantified by the

Role of phonons in the metal-insulator phase transition.

NASA Technical Reports Server (NTRS)

Langer, W. D.

1972-01-01

Review, for the transition series oxides, of the Mattis and Lander model, which is one of electrons interacting with lattice vibrations (electron and phonon interaction). The model displays superconducting, insulating, and metallic phases. Its basic properties evolve from a finite crystallographic distortion associated with a dominant phonon mode and the splitting of the Brillouin zone into two subzones, a property of simple cubic and body centered cubic lattices. The order of the metal-insulator phase transition is examined. The basic model has a second-order phase transition and the effects of additional mechanisms on the model are calculated. The way in which these mechanisms affect the magnetically ordered transition series oxides as described by the Hubbard model is discussed.

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.

CosmoTransitions: Computing cosmological phase transition temperatures and bubble profiles with multiple fields

NASA Astrophysics Data System (ADS)

Wainwright, Carroll L.

2012-09-01

I present a numerical package (CosmoTransitions) for analyzing finite-temperature cosmological phase transitions driven by single or multiple scalar fields. The package analyzes the different vacua of a theory to determine their critical temperatures (where the vacuum energy levels are degenerate), their supercooling temperatures, and the bubble wall profiles which separate the phases and describe their tunneling dynamics. I introduce a new method of path deformation to find the profiles of both thin- and thick-walled bubbles. CosmoTransitions is freely available for public use.Program summaryProgram Title: CosmoTransitionsCatalogue identifier: AEML_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEML_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 8775No. of bytes in distributed program, including test data, etc.: 621096Distribution format: tar.gzProgramming language: Python.Computer: Developed on a 2009 MacBook Pro. No computer-specific optimization was performed.Operating system: Designed and tested on Mac OS X 10.6.8. Compatible with any OS with Python installed.RAM: Approximately 50 MB, mostly for loading plotting packages.Classification: 1.9, 11.1.External routines: SciPy, NumPy, matplotLibNature of problem: I describe a program to analyze early-Universe finite-temperature phase transitions with multiple scalar fields. The goal is to analyze the phase structure of an input theory, determine the amount of supercooling at each phase transition, and find the bubble-wall profiles of the nucleated bubbles that drive the transitions.Solution method: To find the bubble-wall profile, the program assumes that tunneling happens along a fixed path in field space. This reduces the equations of motion to one dimension, which can then be solved using the overshoot

High-pressure phase transition and phase diagram of gallium arsenide

NASA Astrophysics Data System (ADS)

Besson, J. M.; Itié, J. P.; Polian, A.; Weill, G.; Mansot, J. L.; Gonzalez, J.

1991-09-01

Under hydrostatic pressure, cubic GaAs-I undergoes phase transitions to at least two orthorhombic structures. The initial phase transition to GaAs-II has been investigated by optical-transmittance measurements, Raman scattering, and x-ray absorption. The structure of pressurized samples, which are retrieved at ambient, has been studied by x-ray diffraction and high-resolution diffraction microscopy. Various criteria that define the domain of stability of GaAs-I are examined, such as the occurrence of crystalline defects, the local variation in atomic coordination number, or the actual change in crystal structure. These are shown not to occur at the same pressure at 300 K, the latter being observable only several GPa above the actual thermodynamic instability pressure of GaAs-I. Comparison of the evolution of these parameters on increasing and decreasing pressure locates the thermodynamic transition region GaAs-I-->GaAs-II at 12+/-1.5 GPa and at 300 K that is lower than generally reported. The use of thermodynamic relations around the triple point, and of regularities in the properties of isoelectronic and isostructural III-V compounds, yields a phase diagram for GaAs which is consistent with this value.

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

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.

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.

Electroweak phase transition in the {mu}{nu}SSM

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

Chung, Daniel J. H.; School of Physics, Korea Institute for Advanced Study, 207-43, Cheongnyangni2-dong, Dongdaemun-gu, Seoul 130-722; Long, Andrew J.

2010-06-15

An extension of the minimal supersymmetric standard model called the {mu}{nu}SSM does not allow a conventional thermal leptogenesis scenario because of the low scale seesaw that it utilizes. Hence, we investigate the possibility of electroweak baryogenesis. Specifically, we identify a parameter region for which the electroweak phase transition is sufficiently strongly first order to realize electroweak baryogenesis. In addition to transitions that are similar to those in the next-to-minimal supersymmetric standard model, we find a novel class of phase transitions in which there is a rotation in the singlet vector space.

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

PubMed

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

2017-02-20

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

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.

Holographically Encoded Volume Phase Masks

DTIC Science & Technology

2015-07-13

Lu et al., “Coherent beam combination of fiber laser arrays via multiplexed volume Bragg gratings,” in Conf. on Lasers and Electro- Optics: Science...combining of fiber lasers using multiplexed volume Bragg gratings,” in Conf. on Lasers and Electro- Optics: Science and Innovations, OSA Technical Digest...satisfying the Bragg condition of the hologram. Moreover, this approach enables the capability to encode and multiplex several phase masks into a single

Solid solubility, phase transitions, thermal expansion, and compressibility in Sc{sub 1−x}Al{sub x}F{sub 3}

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

Morelock, Cody R.; Gallington, Leighanne C.; Wilkinson, Angus P., E-mail: angus.wilkinson@chemistry.gatech.edu

2015-02-15

With the goal of thermal expansion control, the synthesis and properties of Sc{sub 1−x}Al{sub x}F{sub 3} were investigated. The solubility limit of AlF{sub 3} in ScF{sub 3} at ∼1340 K is ∼50%. Solid solutions (x≤0.50) were characterized by synchrotron powder diffraction at ambient pressure between 100 and 900 K and at pressures <0.414 GPa while heating from 298 to 523 K. A phase transition from cubic to rhombohedral is observed. The transition temperature increases smoothly with Al{sup 3+} content, approaching 500 K at the solid solubility limit, and also upon compression at fixed Al{sup 3+} content. The slope of themore » pressure–temperature phase boundary is ∼0.5 K MPa{sup −1}, which is steep relative to that for most symmetry-lowering phase transitions in perovskites. The volume coefficient of thermal expansion (CTE) for the rhombohedral phase is strongly positive, but the cubic-phase CTE varies from negative (x<0.15) to near-zero (x=0.15) to positive (x>0.20) between ∼600 and 800 K. The cubic solid solutions elastically stiffen on heating, while Al{sup 3+} substitution causes softening at a given temperature. - Graphical abstract: The cubic-phase coefficient of thermal expansion for Sc{sub 1−x}Al{sub x}F{sub 3}(solubility limit ∼50% at ∼1340 K) becomes more positive with increased Al{sup 3+} substitution, but the average isothermal bulk modulus decreases (elastic softening). - Highlights: • The solubility limit of AlF{sub 3} in ScF{sub 3} at ∼1340 K is ∼50%. • The phase transition temperature of Sc{sub 1−x}Al{sub x}F{sub 3} increases smoothly with x. • The cubic-phase volume CTE varies from negative to positive with increasing x. • The cubic solid solutions elastically stiffen on heating. • Al{sup 3+} substitution causes softening at a given temperature.« less

Signatures of a dissipative phase transition in photon correlation measurements

NASA Astrophysics Data System (ADS)

Fink, Thomas; Schade, Anne; Höfling, Sven; Schneider, Christian; Imamoglu, Ataç

2018-04-01

Understanding and characterizing phase transitions in driven-dissipative systems constitutes a new frontier for many-body physics1-8. A generic feature of dissipative phase transitions is a vanishing gap in the Liouvillian spectrum9, which leads to long-lived deviations from the steady state as the system is driven towards the transition. Here, we show that photon correlation measurements can be used to characterize the corresponding critical slowing down of non-equilibrium dynamics. We focus on the extensively studied phenomenon of optical bistability in GaAs cavity polaritons10,11, which can be described as a first-order dissipative phase transition12-14. Increasing the excitation strength towards the bistable range results in an increasing photon-bunching signal along with a decay time that is prolonged by more than nine orders of magnitude as compared with that of single polaritons. In the limit of strong polariton interactions leading to pronounced quantum fluctuations, the mean-field bistability threshold is washed out. Nevertheless, the functional form with which the Liouvillian gap closes as the thermodynamic limit is approached provides a signature of the emerging dissipative phase transition. Our results establish photon correlation measurements as an invaluable tool for studying dynamical properties of dissipative phase transitions without requiring phase-sensitive interferometric measurements.

Pressure induced structural phase transition from NaCl-type (B1) to CsCl-type (B2) structure in sodium chloride

NASA Astrophysics Data System (ADS)

Jain, Aayushi; Dixit, R. C.

2018-05-01

Pressure induced structural phase transition of NaCl-type (B1) to CsCl-type (B2) structure in Sodium Chloride NaCl are presented. An effective interionic interaction potential (EIOP) with long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach with modified ionic charge is reported here. The reckon value of the phase transition pressure (Pt) and the magnitude of the discontinuity in volume at the transition pressure are compatible as compared with reported data. The variations of elastic constants and their combinations with pressure follow ordered behavior. The present approach has also succeeded in predicting the Born and relative stability criteria.

Quantum phase transition from mixed atom-molecule phase to pure molecule phase: Characteristic scaling laws and Berry-curvature signature

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

Li Shengchang; Graduate School, China Academy of Engineering Physics, Beijing 100088; Fu Libin

2011-08-15

We investigate the quantum phase transition in an ultracold atom-molecule conversion system. It is found that the system undergoes a phase transition from a mixed atom-molecule phase to a pure molecule phase when the energy bias exceeds a critical value. By constructing a coherent state as variational state, we get a good approximation of the quantum ground state of the system. Using this variational state, we deduce the critical point analytically. We then discuss the scaling laws characterizing the transition and obtain the corresponding critical exponents. Furthermore, the Berry curvature signature of the transition is studied. In particular, we findmore » that the derivatives of the Berry curvature with respect to total particle number intersect at the critical point. The underlying mechanism of this finding is discussed as well.« less

String mediated phase transitions

NASA Technical Reports Server (NTRS)

Copeland, ED; Haws, D.; Rivers, R.; Holbraad, S.

1988-01-01

It is demonstrated from first principles how the existence of string-like structures can cause a system to undergo a phase transition. In particular, the role of topologically stable cosmic string in the restoration of spontaneously broken symmetries is emphasized. How the thermodynamic properties of strings alter when stiffness and nearest neighbor string-string interactions are included is discussed.

Horava-Lifshitz cosmology, entropic interpretation and quark-hadron phase transition

NASA Astrophysics Data System (ADS)

Kheyri, F.; Khodadi, M.; Sepangi, Hamid Reza

2013-05-01

Based on the assumptions of the standard model of cosmology, a phase transition associated with chiral symmetry breaking after the electroweak transition has occurred at approximately 10 μs after the Big Bang to convert a plasma of free quarks and gluons into hadrons. We consider such a phase transition in the context of a deformed Horava-Lifshitz cosmology. The Friedmann equation for the deformed Horava-Lifshitz universe is obtained using the entropic interpretation of gravity, proposed by Verlinde. We investigate the effects of the parameter ω appearing in the theory on the evolution of the physical quantities relevant to a description of the early universe, namely, the energy density and temperature before, during and after the phase transition. Finally, we study the cross-over phase transition in both high and low temperature regions in view of the recent lattice QCD simulations data.

Phase transitions in Pareto optimal complex networks

NASA Astrophysics Data System (ADS)

Seoane, Luís F.; Solé, Ricard

2015-09-01

The organization of interactions in complex systems can be described by networks connecting different units. These graphs are useful representations of the local and global complexity of the underlying systems. The origin of their topological structure can be diverse, resulting from different mechanisms including multiplicative processes and optimization. In spatial networks or in graphs where cost constraints are at work, as it occurs in a plethora of situations from power grids to the wiring of neurons in the brain, optimization plays an important part in shaping their organization. In this paper we study network designs resulting from a Pareto optimization process, where different simultaneous constraints are the targets of selection. We analyze three variations on a problem, finding phase transitions of different kinds. Distinct phases are associated with different arrangements of the connections, but the need of drastic topological changes does not determine the presence or the nature of the phase transitions encountered. Instead, the functions under optimization do play a determinant role. This reinforces the view that phase transitions do not arise from intrinsic properties of a system alone, but from the interplay of that system with its external constraints.

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.

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

Geometry-induced phase transition in fluids: Capillary prewetting

NASA Astrophysics Data System (ADS)

Yatsyshin, Petr; Savva, Nikos; Kalliadasis, Serafim

2013-02-01

We report a new first-order phase transition preceding capillary condensation and corresponding to the discontinuous formation of a curved liquid meniscus. Using a mean-field microscopic approach based on the density functional theory we compute the complete phase diagram of a prototypical two-dimensional system exhibiting capillary condensation, namely that of a fluid with long-ranged dispersion intermolecular forces which is spatially confined by a substrate forming a semi-infinite rectangular pore exerting long-ranged dispersion forces on the fluid. In the T-μ plane the phase line of the new transition is tangential to the capillary condensation line at the capillary wetting temperature Tcw. The surface phase behavior of the system maps to planar wetting with the phase line of the new transition, termed capillary prewetting, mapping to the planar prewetting line. If capillary condensation is approached isothermally with T>Tcw, the meniscus forms at the capping wall and unbinds continuously, making capillary condensation a second-order phenomenon. We compute the corresponding critical exponent for the divergence of adsorption.

Review of Random Phase Encoding in Volume Holographic Storage

PubMed Central

Su, Wei-Chia; Sun, Ching-Cherng

2012-01-01

Random phase encoding is a unique technique for volume hologram which can be applied to various applications such as holographic multiplexing storage, image encryption, and optical sensing. In this review article, we first review and discuss diffraction selectivity of random phase encoding in volume holograms, which is the most important parameter related to multiplexing capacity of volume holographic storage. We then review an image encryption system based on random phase encoding. The alignment of phase key for decryption of the encoded image stored in holographic memory is analyzed and discussed. In the latter part of the review, an all-optical sensing system implemented by random phase encoding and holographic interconnection is presented.

A surface phase transition of supported gold nanoparticles.

PubMed

Plech, Anton; Cerna, Roland; Kotaidis, Vassilios; Hudert, Florian; Bartels, Albrecht; Dekorsy, Thomas

2007-04-01

A thermal phase transition has been resolved in gold nanoparticles supported on a surface. By use of asynchronous optical sampling with coupled femtosecond oscillators, the Lamb vibrational modes could be resolved as a function of annealing temperature. At a temperature of 104 degrees C the damping rate and phase changes abruptly, indicating a structural transition in the particle, which is explained as the onset of surface melting.

A time-dependent order parameter for ultrafast photoinduced phase transitions.

PubMed

Beaud, P; Caviezel, A; Mariager, S O; Rettig, L; Ingold, G; Dornes, C; Huang, S-W; Johnson, J A; Radovic, M; Huber, T; Kubacka, T; Ferrer, A; Lemke, H T; Chollet, M; Zhu, D; Glownia, J M; Sikorski, M; Robert, A; Wadati, H; Nakamura, M; Kawasaki, M; Tokura, Y; Johnson, S L; Staub, U

2014-10-01

Strongly correlated electron systems often exhibit very strong interactions between structural and electronic degrees of freedom that lead to complex and interesting phase diagrams. For technological applications of these materials it is important to learn how to drive transitions from one phase to another. A key question here is the ultimate speed of such phase transitions, and to understand how a phase transition evolves in the time domain. Here we apply time-resolved X-ray diffraction to directly measure the changes in long-range order during ultrafast melting of the charge and orbitally ordered phase in a perovskite manganite. We find that although the actual change in crystal symmetry associated with this transition occurs over different timescales characteristic of the many electronic and vibrational coordinates of the system, the dynamics of the phase transformation can be well described using a single time-dependent 'order parameter' that depends exclusively on the electronic excitation.

The gabbro-eclogite phase transition and the elevation of mountain belts on Venus

NASA Astrophysics Data System (ADS)

Namiki, Noriyuki; Solomon, Sean C.

1992-12-01

Among the four mountain belts surrounding Lakshmi Planum, Maxwell Montes is the highest and stands up to 11 km above the mean planetary radius and 7 km above Lakshmi Planum. The bulk composition and radioactive heat production of the crust on Venus, where measured, are similar to those of terrestrial tholeiitic basalt. Because the thickness of the low-density crust may be limited by the gabbro-garnet granulite-eclogite phase transitions, the 7-11 km maximum elevation of Maxwell Montes is difficult to understand except in the unlikely situation that the crust contains a large volume of magma. A possible explanation is that the base of the crust is not in phase equilibrium. It has been suggested that under completely dry conditions, the gabbro-eclogite phase transition takes place by solid-state diffusion and may require a geologically significant time to run to completion. Solid-state diffusion is a strongly temperature-dependent process. In this paper we solve the thermal evolution of the mountain belt to attempt to constrain the depth of the gabbro-eclogite transition and thus to assess this hypothesis quantitatively. The one-dimensional heat equation is solved numerically by a finite difference approximation. The deformation of the horizontally shortening crustal and mantle portions of the thermal boundary layer is assumed to occur by pure shear, and therefore the vertical velocity is given by the product of the horizontal strain rate and depth.

The gabbro-eclogite phase transition and the elevation of mountain belts on Venus

NASA Technical Reports Server (NTRS)

Namiki, Noriyuki; Solomon, Sean C.

1992-01-01

Among the four mountain belts surrounding Lakshmi Planum, Maxwell Montes is the highest and stands up to 11 km above the mean planetary radius and 7 km above Lakshmi Planum. The bulk composition and radioactive heat production of the crust on Venus, where measured, are similar to those of terrestrial tholeiitic basalt. Because the thickness of the low-density crust may be limited by the gabbro-garnet granulite-eclogite phase transitions, the 7-11 km maximum elevation of Maxwell Montes is difficult to understand except in the unlikely situation that the crust contains a large volume of magma. A possible explanation is that the base of the crust is not in phase equilibrium. It has been suggested that under completely dry conditions, the gabbro-eclogite phase transition takes place by solid-state diffusion and may require a geologically significant time to run to completion. Solid-state diffusion is a strongly temperature-dependent process. In this paper we solve the thermal evolution of the mountain belt to attempt to constrain the depth of the gabbro-eclogite transition and thus to assess this hypothesis quantitatively. The one-dimensional heat equation is solved numerically by a finite difference approximation. The deformation of the horizontally shortening crustal and mantle portions of the thermal boundary layer is assumed to occur by pure shear, and therefore the vertical velocity is given by the product of the horizontal strain rate and depth.

Polymorphic phase transitions: Macroscopic theory and molecular simulation.

PubMed

Anwar, Jamshed; Zahn, Dirk

2017-08-01

Transformations in the solid state are of considerable interest, both for fundamental reasons and because they underpin important technological applications. The interest spans a wide spectrum of disciplines and application domains. For pharmaceuticals, a common issue is unexpected polymorphic transformation of the drug or excipient during processing or on storage, which can result in product failure. A more ambitious goal is that of exploiting the advantages of metastable polymorphs (e.g. higher solubility and dissolution rate) while ensuring their stability with respect to solid state transformation. To address these issues and to advance technology, there is an urgent need for significant insights that can only come from a detailed molecular level understanding of the involved processes. Whilst experimental approaches at best yield time- and space-averaged structural information, molecular simulation offers unprecedented, time-resolved molecular-level resolution of the processes taking place. This review aims to provide a comprehensive and critical account of state-of-the-art methods for modelling polymorph stability and transitions between solid phases. This is flanked by revisiting the associated macroscopic theoretical framework for phase transitions, including their classification, proposed molecular mechanisms, and kinetics. The simulation methods are presented in tutorial form, focusing on their application to phase transition phenomena. We describe molecular simulation studies for crystal structure prediction and polymorph screening, phase coexistence and phase diagrams, simulations of crystal-crystal transitions of various types (displacive/martensitic, reconstructive and diffusive), effects of defects, and phase stability and transitions at the nanoscale. Our selection of literature is intended to illustrate significant insights, concepts and understanding, as well as the current scope of using molecular simulations for understanding polymorphic

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.

Phase Transitions in Antibody Solutions: from Pharmaceuticals to Human Disease

NASA Astrophysics Data System (ADS)

Wang, Ying; Lomakin, Aleksey; Benedek, George; Dana Farber Cancer Institute Collaboration; Amgen Inc. Collaboration

2014-03-01

Antibodies are very important proteins. Natural antibodies play essential role in the immune system of human body. Pharmaceutical antibodies are used as drugs. Antibodies are also indispensable tools in biomedical research and diagnostics. Recently, a number of observations of phase transitions of pharmaceutical antibodies have been reported. These phase transitions are undesirable from the perspective of colloid stability of drug solutions in processing and storage, but can be used for protein purification, X-ray crystallography, and improving pharmokinetics of drugs. Phase transitions of antibodies can also take place in human body, particularly in multiple myeloma patients who overproduce monoclonal antibodies. These antibodies, in some cases, crystallize at body temperature and cause severe complications called cryoglobulinemia. I will present the results of our current studies on phase transitions of both pharmaceutical antibodies and cryoglobulinemia-associated antibodies. These studies have shown that different antibodies have different propensity to undergo phase transitions, but their phase behavior has universal features which are remarkably different from those of spherical proteins. I will discuss how studies of phase behavior can be useful in assessing colloid stability of pharmaceutical antibodies and in early diagnostics of cryoglobulinemia, as well as general implications of the fact that some antibodies can precipitate at physiological conditions.

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.

Structural phase transitions in niobium oxide nanocrystals

NASA Astrophysics Data System (ADS)

Yuvakkumar, R.; Hong, Sun Ig

2015-09-01

Niobium oxide nanocrystals were successfully synthesized employing the green synthesis method. Phase formation, microstructure and compositional properties of 1, 4 and 7 days incubation treated samples after calcinations at 450 °C were examined using X-ray diffraction, Raman, photoluminescence (PL), infrared, X-ray photoelectron spectra and transmission electron microscopic characterizations. It was observed that phase formation of Nb2O5 nanocrystals was dependent upon the incubation period required to form stable metal oxides. The characteristic results clearly revealed that with increasing incubation and aging, the transformation of cubic, orthorhombic and monoclinic phases were observed. The uniform heating at room temperature (32 °C) and the ligation of niobium atoms due to higher phenolic constituents of utilized rambutan during aging processing plays a vital role in structural phase transitions in niobium oxide nanocrystals. The defects over a period of incubation and the intensities of the PL spectra changing over a period of aging were related to the amount of the defects induced by the phase transition.

Effect of point defects and disorder on structural phase transitions

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

Toulouse, J.

1997-06-01

Since the beginning in 1986, the object of this project has been Structural Phase Transitions (SPT) in real as opposed to ideal materials. The first stage of the study has been centered around the role of Point Defects in SPT`s. Our intent was to use the previous knowledge we had acquired in the study of point defects in non-transforming insulators and apply it to the study of point defects in insulators undergoing phase transitions. In non-transforming insulators, point defects, in low concentrations, marginally affect the bulk properties of the host. It is nevertheless possible by resonance or relaxation methods tomore » study the point defects themselves via their local motion. In transforming solids, however, close to a phase transition, atomic motions become correlated over very large distances; there, even point defects far removed from one another can undergo correlated motions which may strongly affect the transition behavior of the host. Near a structural transition, the elastic properties win be most strongly affected so as to either raise or decrease the transition temperature, prevent the transition from taking place altogether, or simply modify its nature and the microstructure or domain structure of the resulting phase. One of the well known practical examples is calcium-stabilized zirconia in which the high temperature cubic phase is stabilized at room temperature with greatly improved mechanical properties.« less

Nonequilibrium Second-Order Phase Transition in a Cooper-Pair Insulator.

PubMed

Doron, A; Tamir, I; Mitra, S; Zeltzer, G; Ovadia, M; Shahar, D

2016-02-05

In certain disordered superconductors, upon increasing the magnetic field, superconductivity terminates with a direct transition into an insulating phase. This phase is comprised of localized Cooper pairs and is termed a Cooper-pair insulator. The current-voltage characteristics measured in this insulating phase are highly nonlinear and, at low temperatures, exhibit abrupt current jumps. Increasing the temperature diminishes the jumps until the current-voltage characteristics become continuous. We show that a direct correspondence exists between our system and systems that undergo an equilibrium, second-order, phase transition. We illustrate this correspondence by comparing our results to the van der Waals equation of state for the liquid-gas mixture. We use the similarities to identify a critical point where an out of equilibrium second-order-like phase transition occurs in our system. Approaching the critical point, we find a power-law behavior with critical exponents that characterizes the transition.

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

PubMed

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

2016-06-09

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

Mapping the QCD Phase Transition with Accreting Compact Stars

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

Blaschke, D.; Bogoliubov Laboratory for Theoretical Physics, JINR Dubna, Joliot-Curie str. 6, 141980 Dubna; Poghosyan, G.

2008-10-29

We discuss an idea for how accreting millisecond pulsars could contribute to the understanding of the QCD phase transition in the high-density nuclear matter equation of state (EoS). It is based on two ingredients, the first one being a ''phase diagram'' of rapidly rotating compact star configurations in the plane of spin frequency and mass, determined with state-of-the-art hybrid equations of state, allowing for a transition to color superconducting quark matter. The second is the study of spin-up and accretion evolution in this phase diagram. We show that the quark matter phase transition leads to a characteristic line in themore » {omega}-M plane, the phase border between neutron stars and hybrid stars with a quark matter core. Along this line a drop in the pulsar's moment of inertia entails a waiting point phenomenon in the accreting millisecond pulsar (AMXP) evolution: most of these objects should therefore be found along the phase border in the {omega}-M plane, which may be viewed as the AMXP analog of the main sequence in the Hertzsprung-Russell diagram for normal stars. In order to prove the existence of a high-density phase transition in the cores of compact stars we need population statistics for AMXPs with sufficiently accurate determination of their masses, spin frequencies and magnetic fields.« less

Correlating Free-Volume Hole Distribution to the Glass Transition Temperature of Epoxy Polymers.

PubMed

Aramoon, Amin; Breitzman, Timothy D; Woodward, Christopher; El-Awady, Jaafar A

2017-09-07

A new algorithm is developed to quantify the free-volume hole distribution and its evolution in coarse-grained molecular dynamics simulations of polymeric networks. This is achieved by analyzing the geometry of the network rather than a voxelized image of the structure to accurately and efficiently find and quantify free-volume hole distributions within large scale simulations of polymer networks. The free-volume holes are quantified by fitting the largest ellipsoids and spheres in the free-volumes between polymer chains. The free-volume hole distributions calculated from this algorithm are shown to be in excellent agreement with those measured from positron annihilation lifetime spectroscopy (PALS) experiments at different temperature and pressures. Based on the results predicted using this algorithm, an evolution model is proposed for the thermal behavior of an individual free-volume hole. This model is calibrated such that the average radius of free-volumes holes mimics the one predicted from the simulations. The model is then employed to predict the glass-transition temperature of epoxy polymers with different degrees of cross-linking and lengths of prepolymers. Comparison between the predicted glass-transition temperatures and those measured from simulations or experiments implies that this model is capable of successfully predicting the glass-transition temperature of the material using only a PDF of the initial free-volume holes radii of each microstructure. This provides an effective approach for the optimized design of polymeric systems on the basis of the glass-transition temperature, degree of cross-linking, and average length of prepolymers.

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.

Experimental observation of phase-flip transitions in the brain

NASA Astrophysics Data System (ADS)

Dotson, Nicholas M.; Gray, Charles M.

2016-10-01

The phase-flip transition has been demonstrated in a host of coupled nonlinear oscillator models, many pertaining directly to understanding neural dynamics. However, there is little evidence that this phenomenon occurs in the brain. Using simultaneous microelectrode recordings in the nonhuman primate cerebral cortex, we demonstrate the presence of phase-flip transitions between oscillatory narrow-band local field potential signals separated by several centimeters. Specifically, we show that sharp transitions between in-phase and antiphase synchronization are accompanied by a jump in synchronization frequency. These findings are significant for two reasons. First, they validate predictions made by model systems. Second, they have potentially far reaching implications for our understanding of the mechanisms underlying corticocortical communication, which are thought to rely on narrow-band oscillatory synchronization with specific relative phase relationships.

Phase Transition Behavior in a Neutral Evolution Model

NASA Astrophysics Data System (ADS)

King, Dawn; Scott, Adam; Maric, Nevena; Bahar, Sonya

2014-03-01

The complexity of interactions among individuals and between individuals and the environment make agent based modeling ideal for studying emergent speciation. This is a dynamically complex problem that can be characterized via the critical behavior of a continuous phase transition. Concomitant with the main tenets of natural selection, we allow organisms to reproduce, mutate, and die within a neutral phenotype space. Previous work has shown phase transition behavior in an assortative mating model with variable fitness landscapes as the maximum mutation size (μ) was varied (Dees and Bahar, 2010). Similarly, this behavior was recently presented in the work of Scott et al. (2013), even on a completely neutral landscape, for bacterial-like fission as well as for assortative mating. Here we present another neutral model to investigate the `critical' phase transition behavior of three mating types - assortative, bacterial, and random - in a phenotype space as a function of the percentage of random death. Results show two types of phase transitions occurring for the parameters of the population size and the number of clusters (an analogue of species), indicating different evolutionary dynamics for system survival and clustering. This research was supported by funding from: University of Missouri Research Board and James S. McDonnell Foundation.

Recent theoretical advances on superradiant phase transitions

NASA Astrophysics Data System (ADS)

Baksic, Alexandre; Nataf, Pierre; Ciuti, Cristiano

2013-03-01

The Dicke model describing a single-mode boson field coupled to two-level systems is an important paradigm in quantum optics. In particular, the physics of ``superradiant phase transitions'' in the ultrastrong coupling regime is the subject of a vigorous research activity in both cavity and circuit QED. Recently, we explored the rich physics of two interesting generalizations of the Dicke model: (i) A model describing the coupling of a boson mode to two independent chains A and B of two-level systems, where chain A is coupled to one quadrature of the boson field and chain B to the orthogonal quadrature. This original model leads to a quantum phase transition with a double symmetry breaking and a fourfold ground state degeneracy. (ii) A generalized Dicke model with three-level systems including the diamagnetic term. In contrast to the case of two-level atoms for which no-go theorems exist, in the case of three-level system we prove that the Thomas-Reich-Kuhn sum rule does not always prevent a superradiant phase transition.

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.

Liquid-liquid phase transition in an ionic model of silica

NASA Astrophysics Data System (ADS)

Chen, Renjie; Lascaris, Erik; Palmer, Jeremy C.

2017-06-01

Recent equation of state calculations [E. Lascaris, Phys. Rev. Lett. 116, 125701 (2016)] for an ionic model of silica suggest that it undergoes a density-driven, liquid-liquid phase transition (LLPT) similar to the controversial transition hypothesized to exist in deeply supercooled water. Here, we perform extensive free energy calculations to scrutinize the model's low-temperature phase behavior and confirm the existence of a first-order phase transition between two liquids with identical compositions but different densities. The low-density liquid (LDL) exhibits tetrahedral order, which is partially disrupted in the high-density liquid (HDL) by the intrusion of additional particles into the primary neighbor shell. Histogram reweighting methods are applied to locate conditions of HDL-LDL coexistence and the liquid spinodals that bound the two-phase region. Spontaneous liquid-liquid phase separation is also observed directly in large-scale molecular dynamics simulations performed inside the predicted two-phase region. Given its clear LLPT, we anticipate that this model may serve as a paradigm for understanding whether similar transitions occur in water and other tetrahedral liquids.

Phase transition induced strain in ZnO under high pressure

DOE PAGES

Yan, Xiaozhi; Dong, Haini; Li, Yanchun; ...

2016-05-13

Under high pressure, the phase transition mechanism and mechanical property of material are supposed to be largely associated with the transformation induced elastic strain. However, the experimental evidences for such strain are scanty. The elastic and plastic properties of ZnO, a leading material for applications in chemical sensor, catalyst, and optical thin coatings, were determined using in situ high pressure synchrotron axial and radial x-ray diffraction. The abnormal elastic behaviors of selected lattice planes of ZnO during phase transition revealed the existence of internal elastic strain, which arise from the lattice misfit between wurtzite and rocksalt phase. Furthermore, the strengthmore » decrease of ZnO during phase transition under non-hydrostatic pressure was observed and could be attributed to such internal elastic strain, unveiling the relationship between pressure induced internal strain and mechanical property of material. Ultimately, these findings are of fundamental importance to understanding the mechanism of phase transition and the properties of materials under pressure.« less

Optical study of phase transitions in single-crystalline RuP

NASA Astrophysics Data System (ADS)

Chen, R. Y.; Shi, Y. G.; Zheng, P.; Wang, L.; Dong, T.; Wang, N. L.

2015-03-01

RuP single crystals of MnP-type orthorhombic structure were synthesized by the Sn flux method. Temperature-dependent x-ray diffraction measurements reveal that the compound experiences two structural phase transitions, which are further confirmed by enormous anomalies shown in temperature-dependent resistivity and magnetic susceptibility. Particularly, the resistivity drops monotonically upon temperature cooling below the second transition, indicating that the material shows metallic behavior, in sharp contrast with the insulating ground state of polycrystalline samples. Optical conductivity measurements were also performed in order to unravel the mechanism of these two transitions. The measurement revealed a sudden reconstruction of band structure over a broad energy scale and a significant removal of conducting carriers below the first phase transition, while a charge-density-wave-like energy gap opens below the second phase transition.

Visualizing phase transition behavior of dilute stimuli responsive polymer solutions via Mueller matrix polarimetry.

PubMed

Narayanan, Amal; Chandel, Shubham; Ghosh, Nirmalya; De, Priyadarsi

2015-09-15

Probing volume phase transition behavior of superdiluted polymer solutions both micro- and macroscopically still persists as an outstanding challenge. In this regard, we have explored 4 × 4 spectral Mueller matrix measurement and its inverse analysis for excavating the microarchitectural facts about stimuli responsiveness of "smart" polymers. Phase separation behavior of thermoresponsive poly(N-isopropylacrylamide) (PNIPAM) and pH responsive poly(N,N-(dimethylamino)ethyl methacrylate) (PDMAEMA) and their copolymers were analyzed in terms of Mueller matrix derived polarization parameters, namely, depolarization (Δ), diattenuation (d), and linear retardance (δ). The Δ, d, and δ parameters provided useful information on both macro- and microstructural alterations during the phase separation. Additionally, the two step action ((i) breakage of polymer-water hydrogen bonding and (ii) polymer-polymer aggregation) at the molecular microenvironment during the cloud point generation was successfully probed via these parameters. It is demonstrated that, in comparison to the present techniques available for assessing the hydrophobic-hydrophilic switch over of simple stimuli-responsive polymers, Mueller matrix polarimetry offers an important advantage requiring a few hundred times dilute polymer solution (0.01 mg/mL, 1.1-1.4 μM) at a low-volume format.

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

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’.

High pressure spectroscopic studies of phase transition in VO2

NASA Astrophysics Data System (ADS)

Basu, Raktima; Mishra, K. K.; Ravindran, T. R.; Dhara, Sandip

2018-04-01

Vanadium dioxide (VO2) exhibits a reversible first-order metal to insulator transition (MIT) at a technologically important temperature of 340K. A structural phase transition (SPT) from monoclinic M1 to rutile tetragonal R is also reported via another two intermediate phases of monoclinic M2 and triclinic T. Metastable monoclinic M2 phase of VO2 was synthesized by Mg doping in the vapour transport process. Raman spectroscopic measurements were carried out at high pressure on V1-xMgxO2 microrods. Two reversible structural phase transitions from monoclinic M2 to triclinic T at 1.6 GPa and T to monoclinic M1 at 3.2 GPa are observed and are explained by structural relaxation of the strained phases.

Network traffic behaviour near phase transition point

NASA Astrophysics Data System (ADS)

Lawniczak, A. T.; Tang, X.

2006-03-01

We explore packet traffic dynamics in a data network model near phase transition point from free flow to congestion. The model of data network is an abstraction of the Network Layer of the OSI (Open Systems Interconnect) Reference Model of packet switching networks. The Network Layer is responsible for routing packets across the network from their sources to their destinations and for control of congestion in data networks. Using the model we investigate spatio-temporal packets traffic dynamics near the phase transition point for various network connection topologies, and static and adaptive routing algorithms. We present selected simulation results and analyze them.

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

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.

A Direct Method for Viewing Ferromagnetic Phase Transition.

ERIC Educational Resources Information Center

Lue, Chin-Shan

1994-01-01

Provides a method, using the Rowland ring as a specimen, to observe the phase transition process directly on the oscilloscope and even extract the critical exponent of ferromagnetic transition. Includes theory, experimental setup, and results. (MVL)

Comparing two tetraalkylammonium ionic liquids. II. Phase transitions.

PubMed

Lima, Thamires A; Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C; Ferreira, Fabio F; Costa, Fanny N; Giles, Carlos

2016-06-14

Phase transitions of the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N1114][NTf2], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N1444][NTf2], were investigated by differential scanning calorimetry (DSC), X-ray diffraction (XRD) measurements, and Raman spectroscopy. XRD and Raman spectra were obtained as a function of temperature at atmospheric pressure, and also under high pressure at room temperature using a diamond anvil cell (DAC). [N1444][NTf2] experiences glass transition at low temperature, whereas [N1114][NTf2] crystallizes or not depending on the cooling rate. Both the ionic liquids exhibit glass transition under high pressure. XRD and low-frequency Raman spectra provide a consistent physical picture of structural ordering-disordering accompanying the thermal events of crystallization, glass transition, cold crystallization, pre-melting, and melting. Raman spectra in the high-frequency range of some specific cation and anion normal modes reveal conformational changes of the molecular structures along phase transitions.

Safety performance of traffic phases and phase transitions in three phase traffic theory.

PubMed

Xu, Chengcheng; Liu, Pan; Wang, Wei; Li, Zhibin

2015-12-01

Crash risk prediction models were developed to link safety to various phases and phase transitions defined by the three phase traffic theory. Results of the Bayesian conditional logit analysis showed that different traffic states differed distinctly with respect to safety performance. The random-parameter logit approach was utilized to account for the heterogeneity caused by unobserved factors. The Bayesian inference approach based on the Markov Chain Monte Carlo (MCMC) method was used for the estimation of the random-parameter logit model. The proposed approach increased the prediction performance of the crash risk models as compared with the conventional logit model. The three phase traffic theory can help us better understand the mechanism of crash occurrences in various traffic states. The contributing factors to crash likelihood can be well explained by the mechanism of phase transitions. We further discovered that the free flow state can be divided into two sub-phases on the basis of safety performance, including a true free flow state in which the interactions between vehicles are minor, and a platooned traffic state in which bunched vehicles travel in successions. The results of this study suggest that a safety perspective can be added to the three phase traffic theory. The results also suggest that the heterogeneity between different traffic states should be considered when estimating the risks of crash occurrences on freeways. Copyright © 2015 Elsevier Ltd. All rights reserved.

A High Pressure Post-Perovskite Phase Transition in NaMgF3--a MgSiO3 Analog Material

NASA Astrophysics Data System (ADS)

Martin, C.; Liu, H.; Crichton, W.; Parise, J. B.

2005-12-01

Since Murakami et al. (2004) identified a perovskite (pv, Pbnm) to post-perovskite (ppv, Cmcm) structural phase transition in MgSiO3, the transition has been reported to occur in many oxides at ultra-high pressures (>60 GPa). The layered ppv structure is rapidly shaping a better understanding of seismic anisotropy in the controversial D" region of the lower mantle. While the ppv unit cell may be derived from indexing of the powder pattern, the structure adopted at high pressure is experimentally ill-constrained due to compromised powder diffraction statistics typically obtained from small sample volumes at extreme conditions in the diamond anvil cell. NaMgF3, a structural analog material to MgSiO3 pv, exhibits a large compressibility and presents the possibility of reducing the pv-ppv transition pressure, allowing for improved powder statistics from a larger sample volume. In accordance with our previous theoretical and experimental evidence (Liu et al., 2005; Parise et al., 2004), we have observed a phase transition in NaMgF3 during two recent independent high pressure trials utilizing monochromatic x-ray diffraction and in-situ laser heating in the diamond anvil cell at pressures as low as 30 GPa. From our analysis thus far, we have found the unit cell of the high pressure phase cannot be indexed according to pv (Pbnm) or close permutations of ppv (Cmcm) unit cells predicted for NaMgF3 or unit cells observed for ppv MgSiO3 and MgGeO3. In addition, we have precluded a breakdown to high pressure phases of NaF and MgF3 as an explanation for the observed data. Upon pressure release, we observe diffraction peaks from the high pressure phase in the absence of pv NaMgF3, suggesting the high pressure structure is quenchable to ambient conditions. The results of the work in progress will be presented at the meeting.

On the thermodynamics of phase transitions in metal hydrides

NASA Astrophysics Data System (ADS)

di Vita, Andrea

2012-02-01

Metal hydrides are solutions of hydrogen in a metal, where phase transitions may occur depending on temperature, pressure etc. We apply Le Chatelier's principle of thermodynamics to a particular phase transition in TiH x , which can approximately be described as a second-order phase transition. We show that the fluctuations of the order parameter correspond to fluctuations both of the density of H+ ions and of the distance between adjacent H+ ions. Moreover, as the system approaches the transition and the correlation radius increases, we show -with the help of statistical mechanics-that the statistical weight of modes involving a large number of H+ ions (`collective modes') increases sharply, in spite of the fact that the Boltzmann factor of each collective mode is exponentially small. As a result, the interaction of the H+ ions with collective modes makes a tiny suprathermal fraction of the H+ population appear. Our results hold for similar transitions in metal deuterides, too. A violation of an -insofar undisputed-upper bound on hydrogen loading follows.

Revisit of pressure-induced phase transition in PbSe: Crystal structure, and thermoelastic and electrical properties

DOE PAGES

Wang, Shanmin; Zang, Chengpeng; Wang, Yongkun; ...

2015-05-04

Lead selenide, PbSe, an important lead chalcogenide semiconductor, has been investigated using in–situ high–pressure/high–temperature synchrotron x–ray diffraction and electrical resistivity measurements. For the first time, high–quality x-ray diffraction data were collected for the intermediate orthorhombic PbSe. Combined with ab initio calculations, we find a Cmcm, InI–type symmetry for the intermediate phase, which is structurally more favorable than the anti–GeS–type Pnma. At room temperature, the onset of the cubic–orthorhombic transition was observed at ~3.5 GPa with a ~3.4% volume reduction. At an elevated temperature of 1000 K, the reversed orthorhombic–to–cubic transition was observed at 6.12 GPa, indicating a positive Clapeyron slopemore » for the phase boundary. Interestingly, phase–transition induced elastic softening in PbSe was also observed, which can be mainly attributed to the loosely bonded trigonal prisms along the b–axis in the Cmcm structure. Compared with the cubic phase, orthorhombic PbSe exhibits a large negative pressure dependence of electrical resistivity. Additionally, thermoelastic properties of orthorhombic PbSe have been derived from isothermal compression data, such as temperature derivative of bulk modulus and thermally induced pressure.« less

Spin transition of ferric iron in the NAL phase: Implications for the seismic heterogeneities of subducted slabs in the lower mantle

NASA Astrophysics Data System (ADS)

Wu, Ye; Wu, Xiang; Lin, Jung-Fu; McCammon, Catherine A.; Xiao, Yuming; Chow, Paul; Prakapenka, Vitali B.; Yoshino, Takashi; Zhai, Shuangmeng; Qin, Shan

2016-01-01

Al-rich phases (NAL: new hexagonal aluminous phase and CF: calcium-ferrite phase) are believed to constitute 10 ∼ 30 wt% of subducted mid-ocean ridge basalt (MORB) in the Earth's lower mantle. In order to understand the effects of iron on compressibility and elastic properties of the NAL phase, we have studied two single-crystal samples (Fe-free Na1.14Mg1.83Al4.74Si1.23O12 and Fe-bearing Na0.71Mg2.05Al4.62Si1.162+0.009Fe 3+0.17Fe O12) using synchrotron nuclear forward scattering (NFS) and X-ray diffraction (XRD) combined with diamond anvil cells up to 86 GPa at room temperature. A pressure-induced high-spin (HS) to low-spin (LS) transition of the octahedral Fe3+ in the Fe-bearing NAL is observed at approximately 30 GPa by NFS. Compared to the Fe-free NAL, the Fe-bearing NAL undergoes a volume reduction of 1.0% (∼1.2 Å3) at 33 ∼ 47 GPa as supported by XRD, which is associated with the spin transition of the octahedral Fe3+. The fits of Birch-Murnaghan equation of state (B-M EoS) to P- V data yield unit-cell volume at zero pressure V0 = 183.1 (1) Å3 and isothermal bulk modulus KT0 = 233 (6) GPa with a pressure derivative KT0 ‧ = 3.7 (2) for the Fe-free NAL; V0-HS = 184.76 (6) Å3 and KT0-HS = 238 (1) GPa with KT0- HS ‧ = 4 (fixed) for the Fe-bearing NAL. The bulk sound velocities (VΦ) of the Fe-free and Fe-bearing NAL phase are approximately 6% larger than those of Al, Fe-bearing bridgmanite and calcium silicate perovskite in the lower mantle, except for the spin transition region where a notable softening of VΦ with a maximum reduction of 9.4% occurs in the Fe-bearing NAL at 41 GPa. Considering the high volume proportion of the NAL phase in subducted MORB, the distinct elastic properties of the Fe-bearing NAL phase across the spin transition reported here may provide an alternative plausible explanation for the observed seismic heterogeneities of subducted slabs in the lower mantle at depths below 1200 km.

Compact Stars with Sequential QCD Phase Transitions.

PubMed

Alford, Mark; Sedrakian, Armen

2017-10-20

Compact stars may contain quark matter in their interiors at densities exceeding several times the nuclear saturation density. We explore models of such compact stars where there are two first-order phase transitions: the first from nuclear matter to a quark-matter phase, followed at a higher density by another first-order transition to a different quark-matter phase [e.g., from the two-flavor color-superconducting (2SC) to the color-flavor-locked (CFL) phase]. We show that this can give rise to two separate branches of hybrid stars, separated from each other and from the nuclear branch by instability regions, and, therefore, to a new family of compact stars, denser than the ordinary hybrid stars. In a range of parameters, one may obtain twin hybrid stars (hybrid stars with the same masses but different radii) and even triplets where three stars, with inner cores of nuclear matter, 2SC matter, and CFL matter, respectively, all have the same mass but different radii.

Electric field driven mesoscale phase transition in polarized colloids

NASA Astrophysics Data System (ADS)

Khusid, Boris; Elele, Ezinwa; Lei, Qian

2016-11-01

A mesoscale phase transition in a polarized suspension was reported by Kumar, Khusid, Acrivos, PRL95, 2005 and Agarwal, Yethiraj, PRL102, 2009. Following the application of a strong AC field, particles aggregated head-to-tail into chains that bridged the interelectrode gap and then formed a cellular pattern, in which large particle-free domains were enclosed by particle-rich thin walls. Cellular structures were not observed in numerous simulations of field induced phase transitions in a polarized suspension. A requirement for matching the particle and fluid densities to avoid particle settling limits terrestrial experiments to negatively polarized particles. We present data on the phase diagram and kinetics of the phase transition in a neutrally buoyant, negatively polarized suspension subjected to a combination of AC and DC. Surprisingly, a weak DC component drastically speeds up the formation of a cellular pattern but does not affect its key characteristic. However, the application of a strong DC field destroys the cellular pattern, but it restores as the DC field strength is reduced. We also discuss the design of experiments to study phase transitions in a suspension of positively polarized, non-buoyancy-matched particles in the International Space Station. Supported by NASA's Physical Science Research Program, NNX13AQ53G.

Universal monopole scaling near transitions from the Coulomb phase.

PubMed

Powell, Stephen

2012-08-10

Certain frustrated systems, including spin ice and dimer models, exhibit a Coulomb phase at low temperatures, with power-law correlations and fractionalized monopole excitations. Transitions out of this phase, at which the effective gauge theory becomes confining, provide examples of unconventional criticality. This Letter studies the behavior at nonzero monopole density near such transitions, using scaling theory to arrive at universal expressions for the crossover phenomena. For a particular transition in spin ice, quantitative predictions are made by mapping to the XY model and confirmed using Monte Carlo simulations.

Phase transition studies of germanium to 1. 25 Mbar

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

Vohra, Y.K.; Brister, K.E.; Desgreniers, S.

1986-05-05

New phase transitions in Ge were observed by energy-dispersive x-ray diffraction techniques for pressures up to 125 GPa (1.25 Mbar) as follows: the ..beta..-Sn structure to the simple hexagonal (sh) phase at 75 +- 3 GPa and to the double hexagonal close-packed structure (dhcp) at 102 +- 5 GPa. These are the highest pressures for which a crystalline structure change has been directly observed in any material by x-ray diffraction. Total-energy pseudopotential calculations predict 84 +- 10 GPa for the ..beta..-Sn to sh phase transition and 105 +- 21 GPa for sh to hcp (not dhcp) transition. The role ofmore » 3d core electrons in increasing the transformation pressures in Ge, as compared to Si, is emphasized.« less

Nonequilibrium Phase Transitions in Supercooled Water

NASA Astrophysics Data System (ADS)

Limmer, David; Chandler, David

2012-02-01

We present results of a simulation study of water driven out of equilibrium. Using transition path sampling, we can probe stationary path distributions parameterize by order parameters that are extensive in space and time. We find that by coupling external fields to these parameters, we can drive water through a first order dynamical phase transition into amorphous ice. By varying the initial equilibrium distributions we can probe pathways for the creation of amorphous ices of low and high densities.

Tunable Bragg filters with a phase transition material defect layer

DOE PAGES

Wang, Xi; Gong, Zilun; Dong, Kaichen; ...

2016-01-01

We propose an all-solid-state tunable Bragg filter with a phase transition material as the defect layer. Bragg filters based on a vanadium dioxide defect layer sandwiched between silicon dioxide/titanium dioxide Bragg gratings are experimentally demonstrated. Temperature dependent reflection spectroscopy shows the dynamic tunability and hysteresis properties of the Bragg filter. Temperature dependent Raman spectroscopy reveals the connection between the tunability and the phase transition of the vanadium dioxide defect layer. This work paves a new avenue in tunable Bragg filter designs and promises more applications by combining phase transition materials and optical cavities.

Tunable Bragg filters with a phase transition material defect layer

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

Wang, Xi; Gong, Zilun; Dong, Kaichen

We propose an all-solid-state tunable Bragg filter with a phase transition material as the defect layer. Bragg filters based on a vanadium dioxide defect layer sandwiched between silicon dioxide/titanium dioxide Bragg gratings are experimentally demonstrated. Temperature dependent reflection spectroscopy shows the dynamic tunability and hysteresis properties of the Bragg filter. Temperature dependent Raman spectroscopy reveals the connection between the tunability and the phase transition of the vanadium dioxide defect layer. This work paves a new avenue in tunable Bragg filter designs and promises more applications by combining phase transition materials and optical cavities.

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

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.

Phase transitions in 3D gravity and fractal dimension

NASA Astrophysics Data System (ADS)

Dong, Xi; Maguire, Shaun; Maloney, Alexander; Maxfield, Henry

2018-05-01

We show that for three dimensional gravity with higher genus boundary conditions, if the theory possesses a sufficiently light scalar, there is a second order phase transition where the scalar field condenses. This three dimensional version of the holographic superconducting phase transition occurs even though the pure gravity solutions are locally AdS3. This is in addition to the first order Hawking-Page-like phase transitions between different locally AdS3 handlebodies. This implies that the Rényi entropies of holographic CFTs will undergo phase transitions as the Rényi parameter is varied, as long as the theory possesses a scalar operator which is lighter than a certain critical dimension. We show that this critical dimension has an elegant mathematical interpretation as the Hausdorff dimension of the limit set of a quotient group of AdS3, and use this to compute it, analytically near the boundary of moduli space and numerically in the interior of moduli space. We compare this to a CFT computation generalizing recent work of Belin, Keller and Zadeh, bounding the critical dimension using higher genus conformal blocks, and find a surprisingly good match.

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

Mixed state dynamical quantum phase transitions

NASA Astrophysics Data System (ADS)

Bhattacharya, Utso; Bandyopadhyay, Souvik; Dutta, Amit

2017-11-01

Preparing an integrable system in a mixed state described by a thermal density matrix, we subject it to a sudden quench and explore the subsequent unitary dynamics. To address the question of whether the nonanalyticities, namely, the dynamical quantum phase transitions (DQPTs), persist when the initial state is mixed, we consider two versions of the generalized Loschmidt overlap amplitude (GLOA). Our study shows that the GLOA constructed using the Uhlmann approach does not show any signature of DQPTs at any nonzero initial temperature. On the other hand, a GLOA defined in the interferometric phase approach through the purifications of the time-evolved density matrix, indeed shows that nonanalyiticies in the corresponding "dynamical free-energy density" persist, thereby establishing the existence of mixed state dynamical quantum phase transitions (MSDQPTs). Our work provides a framework that perfectly reproduces both the nonanalyticities and also the emergent topological structure in the pure state limit. These claims are corroborated by analyzing the nonequilibrium dynamics of a transverse Ising chain initially prepared in a thermal state and subjected to a sudden quench of the transverse field.

First-order reversal curve of the magnetostructural phase transition in FeTe

DOE PAGES

Frampton, M. K.; Crocker, J.; Gilbert, D. A.; ...

2017-06-05

We apply the first-order reversal curve (FORC) method, adapted from studies of ferromagnetic materials, to the magnetostructural phase transition of Fe 1+yTe. FORC measurements reveal two features in the hysteretic phase transition, even in samples where traditional temperature measurements display only a single transition. For Fe 1.13Te, the influence of magnetic field suggests that the main feature is primarily structural while a smaller, slightly higher-temperature transition is magnetic in origin. By contrast, Fe 1.03Te has a single transition which shows a uniform response to magnetic field, indicating a stronger coupling of the magnetic and structural phase transitions. We also introducemore » uniaxial stress, which spreads the distribution width without changing the underlying energy barrier of the transformation. Finally, the work shows how FORC can help disentangle the roles of the magnetic and structural phase transitions in FeTe.« 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.

A Local Quantum Phase Transition in YFe 2Al 10

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

Gannon, W J.; Zaliznyak, Igor A.; Wu, L. S.

Here, a phase transition occurs when correlated regions of a new phase grow to span the system and the fluctuations within the correlated regions become long-lived. Here we present neutron scattering measurements showing that this conventional picture must be replaced by a new paradigm in YFe 2Al 10, a compound that forms naturally very close to a T = 0 quantum phase transition. Fully quantum mechanical fluctuations of localized moments are found to diverge at low energies and temperatures, however the fluctuating moments are entirely without spatial correlations. Zero temperature order in YFe 2Al 10 is achieved by a newmore » and entirely local type of quantum phase transition that may originate with the creation of the moments themselves.« less

A Local Quantum Phase Transition in YFe 2Al 10

DOE PAGES

Gannon, W J.; Zaliznyak, Igor A.; Wu, L. S.; ...

2018-06-29

Here, a phase transition occurs when correlated regions of a new phase grow to span the system and the fluctuations within the correlated regions become long-lived. Here we present neutron scattering measurements showing that this conventional picture must be replaced by a new paradigm in YFe 2Al 10, a compound that forms naturally very close to a T = 0 quantum phase transition. Fully quantum mechanical fluctuations of localized moments are found to diverge at low energies and temperatures, however the fluctuating moments are entirely without spatial correlations. Zero temperature order in YFe 2Al 10 is achieved by a newmore » and entirely local type of quantum phase transition that may originate with the creation of the moments themselves.« less

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.

Non-resonant collider signatures of a singlet-driven electroweak phase transition

NASA Astrophysics Data System (ADS)

Chen, Chien-Yi; Kozaczuk, Jonathan; Lewis, Ian M.

2017-08-01

We analyze the collider signatures of the real singlet extension of the Standard Model in regions consistent with a strong first-order electroweak phase transition and a singlet-like scalar heavier than the Standard Model-like Higgs. A definitive correlation exists between the strength of the phase transition and the trilinear coupling of the Higgs to two singlet-like scalars, and hence between the phase transition and non-resonant scalar pair production involving the singlet at colliders. We study the prospects for observing these processes at the LHC and a future 100 TeV pp collider, focusing particularly on double singlet production. We also discuss correlations between the strength of the electroweak phase transition and other observables at hadron and future lepton colliders. Searches for non-resonant singlet-like scalar pair production at 100 TeV would provide a sensitive probe of the electroweak phase transition in this model, complementing resonant di-Higgs searches and precision measurements. Our study illustrates a strategy for systematically exploring the phenomenologically viable parameter space of this model, which we hope will be useful for future work.

Phase transitions in Yang-Mills theories and their gravity duals

NASA Astrophysics Data System (ADS)

Marsano, Joseph Daniel

This thesis is a study of the thermal phase structure of systems that admit dual gauge theory and string theory descriptions. In a pair of examples, we explore the connection between perturbative Yang-Mills and gravitational thermodynamics which arises from the fact that these descriptions probe different corners of a single phase diagram. The structure that emerges from a detailed study of these isolated regions generally suggests a natural conjecture how they may be connected to one another within the full phase diagram. This permits the identification of interesting phenomena in the gauge and gravity regimes under a continuous change in parameters. We begin by studying the AdS5/CFT 4 system which, when the supergravity description is valid, exhibits a first order Hawking-Page phase transition as a function of temperature from a thermal gas of gravitons to a large black hole. In the perturbative Yang-Mills regime, we find that the free theory exhibits a weakly first order deconfinement transition whose precise nature at small nonzero coupling depends on the result of a nontrivial perturbative computation. It is conjectured that this deconfinement transition is continuously connected in the full phase diagram to the Hawking-Page transition at strong coupling, with the confined phase identified with the graviton gas and the deconfined phase identified with the black hole. We then turn to the study of Gregory-Laflamme (GL) black hole/black string transitions in supergravity and their realization in a setup that admits a dual description via the maximally supersymmetric Yang-Mills theory on T2. The thermodynamics of Yang-Mills theories on low dimensional tori is studied in detail revealing an intricate structure of which the GL transition at strong coupling is a small piece. We are led to conjecture that GL physics is continuously connected to deconfinement in maximally supersymmetric 0 + 1-dimensional gauged matrix quantum mechanics. This identification will then

Phase transitions in core-collapse supernova matter at sub-saturation densities

NASA Astrophysics Data System (ADS)

Pais, Helena; Newton, William G.; Stone, Jirina R.

2014-12-01

Phase transitions in hot, dense matter in the collapsing cores of massive stars have an important impact on the core-collapse supernova mechanism as they absorb heat, disrupt homology, and so weaken the developing shock. We perform a three-dimensional, finite temperature Skyrme-Hartree-Fock (SHF) study of inhomogeneous nuclear matter to determine the critical density and temperature for the phase transition between the pasta phase and homogeneous matter and its properties. We employ four different parametrizations of the Skyrme nuclear energy-density functional, SkM*, SLy4, NRAPR, and SQMC700, which span a range of saturation-density symmetry energy behaviors constrained by a variety of nuclear experimental probes. For each of these interactions we calculate free energy, pressure, entropy, and chemical potentials in the range of particle number densities where the nuclear pasta phases are expected to exist, 0.02-0.12 fm-3, temperatures 2-8 MeV, and a proton fraction of 0.3. We find unambiguous evidence for a first-order phase transition to uniform matter, unsoftened by the presence of the pasta phases. No conclusive signs of a first-order phase transition between the pasta phases is observed, and it is argued that the thermodynamic quantities vary continuously right up to the first-order phase transition to uniform matter. We compare our results with thermodynamic spinodals calculated using the same Skyrme parametrizations, finding that the effect of short-range Coulomb correlations and quantum shell effects included in our model leads to the pasta phases existing at densities up to 0.01 fm-3 above the spinodal boundaries, thus increasing the transition density to uniform matter by the same amount. The transition density is otherwise shown to be insensitive to the symmetry energy at saturation density within the range constrained by the concordance of a variety of experimental constraints, and can be taken to be a well determined quantity.

Critical phase transitions during ablation of atrial fibrillation

NASA Astrophysics Data System (ADS)

Iravanian, Shahriar; Langberg, Jonathan J.

2017-09-01

Atrial fibrillation (AF) is the most common sustained cardiac arrhythmia with significant morbidity and mortality. Pharmacological agents are not very effective in the management of AF. Therefore, ablation procedures have become the mainstay of AF management. The irregular and seemingly chaotic atrial activity in AF is caused by one or more meandering spiral waves. Previously, we have shown the presence of sudden rhythm organization during ablation of persistent AF. We hypothesize that the observed transitions from a disorganized to an organized rhythm is a critical phase transition. Here, we explore this hypothesis by simulating ablation in an anatomically-correct 3D AF model. In 722 out of 2160 simulated ablation, at least one sudden transition from AF to an organized rhythm (flutter) was noted (33%). They were marked by a sudden decrease in the cycle length entropy and increase in the mean cycle length. At the same time, the number of reentrant wavelets decreased from 2.99 ± 0.06 in AF to 1.76 ± 0.05 during flutter, and the correlation length scale increased from 13.3 ± 1.0 mm to 196.5 ± 86.6 mm (both P < 0.0001). These findings are consistent with the hypothesis that transitions from AF to an anatomical flutter behave as phase transitions in complex non-equilibrium dynamical systems with flutter acting as an absorbing state. Clinically, the facilitation of phase transition should be considered a novel mechanism of ablation and may help to design effective ablation strategies.

Non-equilibrium quantum phase transition via entanglement decoherence dynamics.

PubMed

Lin, Yu-Chen; Yang, Pei-Yun; Zhang, Wei-Min

2016-10-07

We investigate the decoherence dynamics of continuous variable entanglement as the system-environment coupling strength varies from the weak-coupling to the strong-coupling regimes. Due to the existence of localized modes in the strong-coupling regime, the system cannot approach equilibrium with its environment, which induces a nonequilibrium quantum phase transition. We analytically solve the entanglement decoherence dynamics for an arbitrary spectral density. The nonequilibrium quantum phase transition is demonstrated as the system-environment coupling strength varies for all the Ohmic-type spectral densities. The 3-D entanglement quantum phase diagram is obtained.

Self-Organized Bistability Associated with First-Order Phase Transitions

NASA Astrophysics Data System (ADS)

di Santo, Serena; Burioni, Raffaella; Vezzani, Alessandro; Muñoz, Miguel A.

2016-06-01

Self-organized criticality elucidates the conditions under which physical and biological systems tune themselves to the edge of a second-order phase transition, with scale invariance. Motivated by the empirical observation of bimodal distributions of activity in neuroscience and other fields, we propose and analyze a theory for the self-organization to the point of phase coexistence in systems exhibiting a first-order phase transition. It explains the emergence of regular avalanches with attributes of scale invariance that coexist with huge anomalous ones, with realizations in many fields.

Non-linear thermal evolution of the crystal structure and phase transitions of LaFeO{sub 3} investigated by high temperature X-ray diffraction

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

Selbach, Sverre M.; Tolchard, Julian R.; Fossdal, Anita

2012-12-15

The crystal structure, anisotropic thermal expansion and structural phase transition of the perovskite LaFeO{sub 3} has been studied by high-temperature X-ray diffraction from room temperature to 1533 K. The structural evolution of the orthorhombic phase with space group Pbnm and the rhombohedral phase with R3{sup Macron }c structure of LaFeO{sub 3} is reported in terms of lattice parameters, thermal expansion coefficients, atomic positions, octahedral rotations and polyhedral volumes. Non-linear lattice expansion across the antiferromagnetic to paramagnetic transition of LaFeO{sub 3} at T{sub N}=735 K was compared to the corresponding behavior of the ferroelectric antiferromagnet BiFeO{sub 3} to gain insight tomore » the magnetoelectric coupling in BiFeO{sub 3}, which is also multiferroic. The first order phase transition of LaFeO{sub 3} from Pbnm to R3{sup Macron }c was observed at 1228{+-}9 K, and a subsequent transition to Pm3{sup Macron }m was extrapolated to occur at 2140{+-}30 K. The stability of the Pbnm and R3{sup Macron }c polymorphs of LaFeO{sub 3} is discussed in terms of the competing enthalpy and entropy of the two crystal polymorphs and the thermal evolution of the polyhedral volume ratio V{sub A}/V{sub B}. - Graphical abstract: Aniostropic thermal evolution of the lattice parameters and phase transition of LaFeO{sub 3}. Highlights: Black-Right-Pointing-Pointer The crystal structure of LaFeO{sub 3} is studied by HTXRD from RT to 1533 K. Black-Right-Pointing-Pointer A non-linear expansion across the Neel temperature is observed for LaFeO{sub 3}. Black-Right-Pointing-Pointer The ratio V{sub A}/V{sub B} is used to rationalize the thermal evolution of the structure.« less

Comparing two tetraalkylammonium ionic liquids. II. Phase transitions

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

Lima, Thamires A.; Paschoal, Vitor H.; Faria, Luiz F. O.

Phase transitions of the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N{sub 1114}][NTf{sub 2}], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N{sub 1444}][NTf{sub 2}], were investigated by differential scanning calorimetry (DSC), X-ray diffraction (XRD) measurements, and Raman spectroscopy. XRD and Raman spectra were obtained as a function of temperature at atmospheric pressure, and also under high pressure at room temperature using a diamond anvil cell (DAC). [N{sub 1444}][NTf{sub 2}] experiences glass transition at low temperature, whereas [N{sub 1114}][NTf{sub 2}] crystallizes or not depending on the cooling rate. Both the ionic liquids exhibit glass transition under high pressure. XRD and low-frequency Raman spectra provide a consistent physical picturemore » of structural ordering-disordering accompanying the thermal events of crystallization, glass transition, cold crystallization, pre-melting, and melting. Raman spectra in the high-frequency range of some specific cation and anion normal modes reveal conformational changes of the molecular structures along phase transitions.« less

Transitions between homogeneous phases of polar active liquids

NASA Astrophysics Data System (ADS)

Dauchot, Olivier; Nguyen Thu Lam, Khanh Dang; Schindler, Michael; EC2M Team; PCT Team

2015-03-01

Polar active liquids, composed of aligning self-propelled particle exhibit large scale collective motion. Simulations of Vicsek-like models of constant-speed point particles, aligning with their neighbors in the presence of noise, have revealed the existence of a transition towards a true long range order polar-motion phase. Generically, the homogenous polar state is unstable; non-linear propagative structures develop; and the transition is discontinuous. The long range dynamics of these systems has been successfully captured using various scheme of kinetic theories. However the complexity of the dynamics close to the transition has somewhat hindered more basics questions. Is there a simple way to predict the existence and the order of a transition to collective motion for a given microscopic dynamics? What would be the physically meaningful and relevant quantity to answer this question? Here, we tackle these questions, restricting ourselves to the study of the homogeneous phases of polar active liquids in the low density limit and obtain a very intuitive understanding of the conditions which particle interaction must satisfy to induce a transition towards collective motion.

Control of the orientation and photoinduced phase transitions of macrocyclic azobenzene.

PubMed

Uchida, Emi; Sakaki, Kouji; Nakamura, Yumiko; Azumi, Reiko; Hirai, Yuki; Akiyama, Haruhisa; Yoshida, Masaru; Norikane, Yasuo

2013-12-16

Photoinduced phase transitions caused by photochromic reactions bring about a change in the state of matter at constant temperature. Herein, we report the photoinduced phase transitions of crystals of a photoresponsive macrocyclic compound bearing two azobenzene groups (1) at room temperature on irradiation with UV (365 nm) and visible (436 nm) light. The trans/trans isomer undergoes photoinduced phase transitions (crystal-isotropic phase-crystal) on UV light irradiation. The photochemically generated crystal exhibited reversible phase transitions between the crystal and the mesophase on UV and visible light irradiation. The molecular order of the randomly oriented crystals could be increased by irradiating with linearly polarized visible light, and the value of the order parameter was determined to be -0.84. Heating enhances the thermal cis-to-trans isomerization and subsequent cooling returned crystals of the trans/trans isomer. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

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

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

DOE PAGES

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-02-06

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Phase-transition oscillations induced by a strongly focused laser beam

NASA Astrophysics Data System (ADS)

Devailly, Clémence; Crauste-Thibierge, Caroline; Petrosyan, Artyom; Ciliberto, Sergio

2015-11-01

We report the observation of a surprising phenomenon consisting in a oscillating phase transition which appears in a binary mixture when this is enlightened by a strongly focused infrared laser beam. The mixture is poly-methyl-meth-acrylate (PMMA)-3-octanone, which has an upper critical solution temperature at Tc=306.6 K and volume fraction ϕc=12.8 % [Crauste et al., arXiv:1310.6720, 2013]. We describe the dynamical properties of the oscillations, which are produced by a competition between various effects: the local accumulation of PMMA produced by the laser beam, thermophoresis, and nonlinear diffusion. We show that the main properties of this kind of oscillations can be reproduced in the Landau theory for a binary mixture in which a local driving mechanism, simulating the laser beam, is introduced.

Phase transition in the countdown problem

NASA Astrophysics Data System (ADS)

Lacasa, Lucas; Luque, Bartolo

2012-07-01

We present a combinatorial decision problem, inspired by the celebrated quiz show called Countdown, that involves the computation of a given target number T from a set of k randomly chosen integers along with a set of arithmetic operations. We find that the probability of winning the game evidences a threshold phenomenon that can be understood in the terms of an algorithmic phase transition as a function of the set size k. Numerical simulations show that such probability sharply transitions from zero to one at some critical value of the control parameter, hence separating the algorithm's parameter space in different phases. We also find that the system is maximally efficient close to the critical point. We derive analytical expressions that match the numerical results for finite size and permit us to extrapolate the behavior in the thermodynamic limit.

Structural phase transitions in monolayer molybdenum dichalcogenides

NASA Astrophysics Data System (ADS)

Choe, Duk-Hyun; Sung, Ha June; Chang, Kee Joo

2015-03-01

The recent discovery of two-dimensional materials such as graphene and transition metal dichalcogenides (TMDs) has provided opportunities to develop ultimate thin channel devices. In contrast to graphene, the existence of moderate band gap and strong spin-orbit coupling gives rise to exotic electronic properties which vary with layer thickness, lattice structure, and symmetry. TMDs commonly appear in two structures with distinct symmetries, trigonal prismatic 2H and octahedral 1T phases which are semiconducting and metallic, respectively. In this work, we investigate the structural and electronic properties of monolayer molybdenum dichalcogenides (MoX2, where X = S, Se, Te) through first-principles density functional calculations. We find a tendency that the semiconducting 2H phase is more stable than the metallic 1T phase. We show that a spontaneous symmetry breaking of 1T phase leads to various distorted octahedral (1T') phases, thus inducing a metal-to-semiconductor transition. We discuss the effects of carrier doping on the structural stability and the modification of the electronic structure. This work was supported by the National Research Foundation of Korea (NRF) under Grant No. NRF-2005-0093845 and Samsung Science and Technology Foundation under Grant No. SSTFBA1401-08.

Higher-order phase transitions on financial markets

NASA Astrophysics Data System (ADS)

Kasprzak, A.; Kutner, R.; Perelló, J.; Masoliver, J.

2010-08-01

Statistical and thermodynamic properties of the anomalous multifractal structure of random interevent (or intertransaction) times were thoroughly studied by using the extended continuous-time random walk (CTRW) formalism of Montroll, Weiss, Scher, and Lax. Although this formalism is quite general (and can be applied to any interhuman communication with nontrivial priority), we consider it in the context of a financial market where heterogeneous agent activities can occur within a wide spectrum of time scales. As the main general consequence, we found (by additionally using the Saddle-Point Approximation) the scaling or power-dependent form of the partition function, Z(q'). It diverges for any negative scaling powers q' (which justifies the name anomalous) while for positive ones it shows the scaling with the general exponent τ(q'). This exponent is the nonanalytic (singular) or noninteger power of q', which is one of the pilar of higher-order phase transitions. In definition of the partition function we used the pausing-time distribution (PTD) as the central one, which takes the form of convolution (or superstatistics used, e.g. for describing turbulence as well as the financial market). Its integral kernel is given by the stretched exponential distribution (often used in disordered systems). This kernel extends both the exponential distribution assumed in the original version of the CTRW formalism (for description of the transient photocurrent measured in amorphous glassy material) as well as the Gaussian one sometimes used in this context (e.g. for diffusion of hydrogen in amorphous metals or for aging effects in glasses). Our most important finding is the third- and higher-order phase transitions, which can be roughly interpreted as transitions between the phase where high frequency trading is most visible and the phase defined by low frequency trading. The specific order of the phase transition directly depends upon the shape exponent α defining the stretched

Phase transition thermodynamics of bisphenols.

PubMed

Costa, José C S; Dávalos, Juan Z; Santos, Luís M N B F

2014-10-16

Herein we have studied, presented, and analyzed the phase equilibria thermodynamics of a bisphenols (BP-A, BP-E, BP-F, BP-AP, and BP-S) series. In particular, the heat capacities, melting temperatures, and vapor pressures at different temperatures as well as the standard enthalpies, entropies, and Gibbs energies of phase transition (fusion and sublimation) were experimentally determined. Also, we have presented the phase diagrams of each bisphenol derivative and investigated the key parameters related to the thermodynamic stability of the condensed phases. When all the bisphenol derivatives are compared at the same conditions, solids BP-AP and BP-S present lower volatilities (higher Gibbs energy of sublimation) and high melting temperatures due to the higher stability of their solid phases. Solids BP-A and BP-F present similar stabilities, whereas BP-E is more volatile. The introduction of -CH3 groups in BP-F (giving BP-E and BP-A) leads an entropic differentiation in the solid phase, whereas in the isotropic liquids the enthalpic and entropic differentiations are negligible.

Suppression of Structural Phase Transition in VO2 by Epitaxial Strain in Vicinity of Metal-insulator Transition

PubMed Central

Yang, Mengmeng; Yang, Yuanjun; Bin Hong; Wang, Liangxin; Hu, Kai; Dong, Yongqi; Xu, Han; Huang, Haoliang; Zhao, Jiangtao; Chen, Haiping; Song, Li; Ju, Huanxin; Zhu, Junfa; Bao, Jun; Li, Xiaoguang; Gu, Yueliang; Yang, Tieying; Gao, Xingyu; Luo, Zhenlin; Gao, Chen

2016-01-01

Mechanism of metal-insulator transition (MIT) in strained VO2 thin films is very complicated and incompletely understood despite three scenarios with potential explanations including electronic correlation (Mott mechanism), structural transformation (Peierls theory) and collaborative Mott-Peierls transition. Herein, we have decoupled coactions of structural and electronic phase transitions across the MIT by implementing epitaxial strain on 13-nm-thick (001)-VO2 films in comparison to thicker films. The structural evolution during MIT characterized by temperature-dependent synchrotron radiation high-resolution X-ray diffraction reciprocal space mapping and Raman spectroscopy suggested that the structural phase transition in the temperature range of vicinity of the MIT is suppressed by epitaxial strain. Furthermore, temperature-dependent Ultraviolet Photoelectron Spectroscopy (UPS) revealed the changes in electron occupancy near the Fermi energy EF of V 3d orbital, implying that the electronic transition triggers the MIT in the strained films. Thus the MIT in the bi-axially strained VO2 thin films should be only driven by electronic transition without assistance of structural phase transition. Density functional theoretical calculations further confirmed that the tetragonal phase across the MIT can be both in insulating and metallic states in the strained (001)-VO2/TiO2 thin films. This work offers a better understanding of the mechanism of MIT in the strained VO2 films. PMID:26975328

Astrobiological Phase Transition: Towards Resolution of Fermi's Paradox

NASA Astrophysics Data System (ADS)

Ćirković, Milan M.; Vukotić, Branislav

2008-12-01

Can astrophysics explain Fermi’s paradox or the “Great Silence” problem? If available, such explanation would be advantageous over most of those suggested in literature which rely on unverifiable cultural and/or sociological assumptions. We suggest, instead, a general astrobiological paradigm which might offer a physical and empirically testable paradox resolution. Based on the idea of James Annis, we develop a model of an astrobiological phase transition of the Milky Way, based on the concept of the global regulation mechanism(s). The dominant regulation mechanisms, arguably, are γ-ray bursts, whose properties and cosmological evolution are becoming well-understood. Secular evolution of regulation mechanisms leads to the brief epoch of phase transition: from an essentially dead place, with pockets of low-complexity life restricted to planetary surfaces, it will, on a short (Fermi-Hart) timescale, become filled with high-complexity life. An observation selection effect explains why we are not, in spite of the very small prior probability, to be surprised at being located in that brief phase of disequilibrium. In addition, we show that, although the phase-transition model may explain the “Great Silence”, it is not supportive of the “contact pessimist” position. To the contrary, the phase-transition model offers a rational motivation for continuation and extension of our present-day Search for ExtraTerrestrial Intelligence (SETI) endeavours. Some of the unequivocal and testable predictions of our model include the decrease of extinction risk in the history of terrestrial life, the absence of any traces of Galactic societies significantly older than human society, complete lack of any extragalactic intelligent signals or phenomena, and the presence of ubiquitous low-complexity life in the Milky Way.

Astrobiological phase transition: towards resolution of Fermi's paradox.

PubMed

Cirković, Milan M; Vukotić, Branislav

2008-12-01

Can astrophysics explain Fermi's paradox or the "Great Silence" problem? If available, such explanation would be advantageous over most of those suggested in literature which rely on unverifiable cultural and/or sociological assumptions. We suggest, instead, a general astrobiological paradigm which might offer a physical and empirically testable paradox resolution. Based on the idea of James Annis, we develop a model of an astrobiological phase transition of the Milky Way, based on the concept of the global regulation mechanism(s). The dominant regulation mechanisms, arguably, are gamma-ray bursts, whose properties and cosmological evolution are becoming well-understood. Secular evolution of regulation mechanisms leads to the brief epoch of phase transition: from an essentially dead place, with pockets of low-complexity life restricted to planetary surfaces, it will, on a short (Fermi-Hart) timescale, become filled with high-complexity life. An observation selection effect explains why we are not, in spite of the very small prior probability, to be surprised at being located in that brief phase of disequilibrium. In addition, we show that, although the phase-transition model may explain the "Great Silence", it is not supportive of the "contact pessimist" position. To the contrary, the phase-transition model offers a rational motivation for continuation and extension of our present-day Search for ExtraTerrestrial Intelligence (SETI) endeavours. Some of the unequivocal and testable predictions of our model include the decrease of extinction risk in the history of terrestrial life, the absence of any traces of Galactic societies significantly older than human society, complete lack of any extragalactic intelligent signals or phenomena, and the presence of ubiquitous low-complexity life in the Milky Way.

Discrete-to-continuous transition in quantum phase estimation

NASA Astrophysics Data System (ADS)

Rządkowski, Wojciech; Demkowicz-Dobrzański, Rafał

2017-09-01

We analyze the problem of quantum phase estimation in which the set of allowed phases forms a discrete N -element subset of the whole [0 ,2 π ] interval, φn=2 π n /N , n =0 ,⋯,N -1 , and study the discrete-to-continuous transition N →∞ for various cost functions as well as the mutual information. We also analyze the relation between the problems of phase discrimination and estimation by considering a step cost function of a given width σ around the true estimated value. We show that in general a direct application of the theory of covariant measurements for a discrete subgroup of the U(1 ) group leads to suboptimal strategies due to an implicit requirement of estimating only the phases that appear in the prior distribution. We develop the theory of subcovariant measurements to remedy this situation and demonstrate truly optimal estimation strategies when performing a transition from discrete to continuous phase estimation.

Thickness-dependent phase transition in graphite under high magnetic field

NASA Astrophysics Data System (ADS)

Taen, Toshihiro; Uchida, Kazuhito; Osada, Toshihito

2018-03-01

Various electronic phases emerge when applying high magnetic fields in graphite. However, the origin of a semimetal-insulator transition at B ≃30 T is still not clear, while an exotic density-wave state is theoretically proposed. In order to identify the electronic state of the insulator phase, we investigate the phase transition in thin-film graphite samples that were fabricated on silicon substrate by a mechanical exfoliation method. The critical magnetic fields of the semimetal-insulator transition in thin-film graphite shift to higher magnetic fields, accompanied by a reduction in temperature dependence. These results can be qualitatively reproduced by a density-wave model by introducing a quantum size effect. Our findings establish the electronic state of the insulator phase as a density-wave state standing along the out-of-plane direction, and help determine the electronic states in other high-magnetic-field phases.

Phase transitions in dense matter

NASA Astrophysics Data System (ADS)

Dexheimer, Veronica; Hempel, Matthias; Iosilevskiy, Igor; Schramm, Stefan

2017-11-01

As the density of matter increases, atomic nuclei disintegrate into nucleons and, eventually, the nucleons themselves disintegrate into quarks. The phase transitions (PT's) between these phases can vary from steep first order to smooth crossovers, depending on certain conditions. First-order PT's with more than one globally conserved charge, so-called non-congruent PT's, have characteristic differences compared to congruent PT's. In this conference proceeding we discuss the non-congruence of the quark deconfinement PT at high densities and/or temperatures relevant for heavy-ion collisions, neutron stars, proto-neutron stars, supernova explosions, and compact-star mergers.

Statistical mechanics of soft-boson phase transitions

NASA Technical Reports Server (NTRS)

Gupta, Arun K.; Hill, Christopher T.; Holman, Richard; Kolb, Edward W.

1991-01-01

The existence of structure on large (100 Mpc) scales, and limits to anisotropies in the cosmic microwave background radiation (CMBR), have imperiled models of structure formation based solely upon the standard cold dark matter scenario. Novel scenarios, which may be compatible with large scale structure and small CMBR anisotropies, invoke nonlinear fluctuations in the density appearing after recombination, accomplished via the use of late time phase transitions involving ultralow mass scalar bosons. Herein, the statistical mechanics are studied of such phase transitions in several models involving naturally ultralow mass pseudo-Nambu-Goldstone bosons (pNGB's). These models can exhibit several interesting effects at high temperature, which is believed to be the most general possibilities for pNGB's.

Phase transition and equation of state of dense hydrous silica up to 63 GPa: DENSE HYDROUS PURE SILICA

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

Nisr, C.; Leinenweber, K.; Prakapenka, V.

Although it has previously been considered to be essentially anhydrous, Al-free stishovite can contain up to ~1.3 wt % of H2O, perhaps through the direct substitution ( math formula), according to recent studies. Yet the stability of such substitution and its impact on the properties of silica and rutile-structured hydrous phases (such as δ-AlOOH and phase H) are unknown at the conditions of the deeper mantle. We have synthesized hydrous and anhydrous Al-free stishovite samples at 723 K and 9 GPa, and 1473 K and 10 GPa, respectively. Synchrotron X-ray diffraction patterns show that the unit cell volume of hydrousmore » stishovite is 1.3% greater than that of anhydrous stishovite at 1 bar, suggesting significant incorporation of OH in the crystal structure (3.2 ± 0.5 wt % H2O). At 300 K, we found a lower and broader transition pressure from rutile type to CaCl2 type (28–42 GPa) in hydrous dense silica. We also found that hydrous silica polymorphs are more compressible than their anhydrous counterparts. After the phase transition, the unit cell volume of hydrous silica becomes the same as that of anhydrous silica, showing that the proton incorporation through a direct substitution can be further stabilized at high pressure. The lower pressure transition and the pressure stabilization of the proton incorporation in silica would provide ways to transport and store water in the lower mantle in silica-rich heterogeneities, such as subducted oceanic crust.« less

More is the Same; Phase Transitions and Mean Field Theories

NASA Astrophysics Data System (ADS)

Kadanoff, Leo P.

2009-12-01

This paper is the first in a series that will look at the theory of phase transitions from the perspectives of physics and the philosophy of science. The series will consider a group of related concepts derived from condensed matter and statistical physics. The key technical ideas go under the names of "singularity", "order parameter", "mean field theory", "variational method", "correlation length", "universality class", "scale changes", and "renormalization". The first four of these will be considered here. In a less technical vein, the question here is how can matter, ordinary matter, support a diversity of forms. We see this diversity each time we observe ice in contact with liquid water or see water vapor (steam) come up from a pot of heated water. Different phases can be qualitatively different in that walking on ice is well within human capacity, but walking on liquid water is proverbially forbidden to ordinary humans. These differences have been apparent to humankind for millennia, but only brought within the domain of scientific understanding since the 1880s. A phase transition is a change from one behavior to another. A first order phase transition involves a discontinuous jump in some statistical variable. The discontinuous property is called the order parameter. Each phase transition has its own order parameter. The possible order parameters range over a tremendous variety of physical properties. These properties include the density of a liquid-gas transition, the magnetization in a ferromagnet, the size of a connected cluster in a percolation transition, and a condensate wave function in a superfluid or superconductor. A continuous transition occurs when the discontinuity in the jump approaches zero. This article is about statistical mechanics and the development of mean field theory as a basis for a partial understanding of phase transition phenomena. Much of the material in this review was first prepared for the Royal Netherlands Academy of Arts and

Phase separation and second-order phase transition in the phenomenological model for a Coulomb-frustrated two-dimensional system

NASA Astrophysics Data System (ADS)

Mamin, R. F.; Shaposhnikova, T. S.; Kabanov, V. V.

2018-03-01

We have considered the model of the phase transition of the second order for the Coulomb frustrated 2D charged system. The coupling of the order parameter with the charge was considered as the local temperature. We have found that in such a system, an appearance of the phase-separated state is possible. By numerical simulation, we have obtained different types ("stripes," "rings," "snakes") of phase-separated states and determined the parameter ranges for these states. Thus the system undergoes a series of phase transitions when the temperature decreases. First, the system moves from the homogeneous state with a zero order parameter to the phase-separated state with two phases in one of which the order parameter is zero and, in the other, it is nonzero (τ >0 ). Then a first-order transition occurs to another phase-separated state, in which both phases have different and nonzero values of the order parameter (for τ <0 ). Only a further decrease of temperature leads to a transition to a homogeneous ordered state.

Strain-induced topological magnon phase transitions: applications to kagome-lattice ferromagnets

NASA Astrophysics Data System (ADS)

Owerre, S. A.

2018-06-01

A common feature of topological insulators is that they are characterized by topologically invariant quantity such as the Chern number and the index. This quantity distinguishes a nontrivial topological system from a trivial one. A topological phase transition may occur when there are two topologically distinct phases, and it is usually defined by a gap closing point where the topologically invariant quantity is ill-defined. In this paper, we show that the magnon bands in the strained (distorted) kagome-lattice ferromagnets realize an example of a topological magnon phase transition in the realistic parameter regime of the system. When spin–orbit coupling (SOC) is neglected (i.e. no Dzyaloshinskii–Moriya interaction), we show that all three magnon branches are dispersive with no flat band, and there exists a critical point where tilted Dirac and semi-Dirac point coexist in the magnon spectra. The critical point separates two gapless magnon phases as opposed to the usual phase transition. Upon the inclusion of SOC, we realize a topological magnon phase transition point at the critical strain , where D and J denote the perturbative SOC and the Heisenberg spin exchange interaction respectively. It separates two distinct topological magnon phases with different Chern numbers for and for . The associated anomalous thermal Hall conductivity develops an abrupt change at , due to the divergence of the Berry curvature in momentum space. The proposed topological magnon phase transition is experimentally feasible by applying external perturbations such as uniaxial strain or pressure.

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions

NASA Astrophysics Data System (ADS)

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-04-01

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switching technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. We also show that the strategy is efficient and scales optimally with problem size.

Bi-directional phase transition of Cu/6H-SiC(0 0 0 1) system discovered by positron beam study

NASA Astrophysics Data System (ADS)

Zhang, J. D.; Weng, H. M.; Shan, Y. Y.; Ching, H. M.; Beling, C. D.; Fung, S.; Ling, C. C.

2002-06-01

The slow positron beam facility at the University of Hong Kong has been used to study the Cu/6H-SiC(0 0 0 1) system. The S- E data show the presence of the Cu/SiC interface buried at a depth of 30 nm. Keeping the beam energy fixed and sweeping the sample temperature, sharp discontinuities are noted in the S-parameter at both ˜17 and ˜250 K. The S-parameter transitions, which are in opposite directions, are indicative of sharp free volume changes that come as a result of the sudden changes in the structure at the Cu/SiC interface accompanying some phase transition. Energy dispersive X-ray spectroscopy (EDXS) room temperature scans reveal the presence of O in addition to Cu, C, Si at the interface, and thus copper oxide phases should be considered in interpreting this new phenomenon. It is suggested that TEM investigation together with temperature dependent X-ray diffraction spectroscopy may be able to shed further light on the nature of this interesting bi-directional phase transition.

Spin-Hall effect and emergent antiferromagnetic phase transition in n-Si

NASA Astrophysics Data System (ADS)

Lou, Paul C.; Kumar, Sandeep

2018-04-01

Spin current experiences minimal dephasing and scattering in Si due to small spin-orbit coupling and spin-lattice interactions is the primary source of spin relaxation. We hypothesize that if the specimen dimension is of the same order as the spin diffusion length then spin polarization will lead to non-equilibrium spin accumulation and emergent phase transition. In n-Si, spin diffusion length has been reported up to 6 μm. The spin accumulation in Si will modify the thermal transport behavior of Si, which can be detected with thermal characterization. In this study, we report observation of spin-Hall effect and emergent antiferromagnetic phase transition behavior using magneto-electro-thermal transport characterization. The freestanding Pd (1 nm)/Ni80Fe20 (75 nm)/MgO (1 nm)/n-Si (2 μm) thin film specimen exhibits a magnetic field dependent thermal transport and spin-Hall magnetoresistance behavior attributed to Rashba effect. An emergent phase transition is discovered using self-heating 3ω method, which shows a diverging behavior at 270 K as a function of temperature similar to a second order phase transition. We propose that spin-Hall effect leads to the spin accumulation and resulting emergent antiferromagnetic phase transition. We propose that the length scale for Rashba effect can be equal to the spin diffusion length and two-dimensional electron gas is not essential for it. The emergent antiferromagnetic phase transition is attributed to the site inversion asymmetry in diamond cubic Si lattice.

Superionic phase transition in silver chalcogenide nanocrystals realizing optimized thermoelectric performance.

PubMed

Xiao, Chong; Xu, Jie; Li, Kun; Feng, Jun; Yang, Jinlong; Xie, Yi

2012-03-07

Thermoelectric has long been recognized as a potentially transformative energy conversion technology due to its ability to convert heat directly into electricity. However, how to optimize the three interdependent thermoelectric parameters (i.e., electrical conductivity σ, Seebeck coefficient S, and thermal conductivity κ) for improving thermoelectric properties is still challenging. Here, we put forward for the first time the semiconductor-superionic conductor phase transition as a new and effective way to selectively optimize the thermoelectric power factor based on the modulation of the electric transport property across the phase transition. Ultra low value of thermal conductivity was successfully retained over the whole investigated temperature range through the reduction of grain size. As a result, taking monodisperse Ag(2)Se nanocrystals for an example, the maximized ZT value can be achieved around the temperature of phase transition. Furthermore, along with the effective scattering of short-wavelength phonons by atomic defects created by alloying, the alloyed ternary silver chalcogenide compounds, monodisperse Ag(4)SeS nanocrystals, show better ZT value around phase transition temperature, which is cooperatively contributed by superionic phase transition and alloying at nanoscale. © 2012 American Chemical Society

Non-resonant collider signatures of a singlet-driven electroweak phase transition

DOE PAGES

Chen, Chien-Yi; Kozaczuk, Jonathan; Lewis, Ian M.

2017-08-22

We analyze the collider signatures of the real singlet extension of the Standard Model in regions consistent with a strong first-order electroweak phase transition and a singlet-like scalar heavier than the Standard Model-like Higgs. A definitive correlation exists between the strength of the phase transition and the trilinear coupling of the Higgs to two singlet-like scalars, and hence between the phase transition and non-resonant scalar pair production involving the singlet at colliders. We study the prospects for observing these processes at the LHC and a future 100 TeV pp collider, focusing particularly on double singlet production. We also discuss correlationsmore » between the strength of the electroweak phase transition and other observables at hadron and future lepton colliders. Searches for non-resonant singlet-like scalar pair production at 100 TeV would provide a sensitive probe of the electroweak phase transition in this model, complementing resonant di-Higgs searches and precision measurements. Our study illustrates a strategy for systematically exploring the phenomenologically viable parameter space of this model, which we hope will be useful for future work.« less

The local phase transitions of the solvent in the neighborhood of a solvophobic polymer at high pressures

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

Budkov, Yu. A., E-mail: urabudkov@rambler.ru; National Research University Higher School of Economics, Moscow; Department of Chemistry, Lomonosov Moscow State University, Moscow

2014-11-28

We investigate local phase transitions of the solvent in the neighborhood of a solvophobic polymer chain which is induced by a change of the polymer-solvent repulsion and the solvent pressure in the bulk solution. We describe the polymer in solution by the Edwards model, where the conditional partition function of the polymer chain at a fixed radius of gyration is described by a mean-field theory. The contributions of the polymer-solvent and the solvent-solvent interactions to the total free energy are described within the mean-field approximation. We obtain the total free energy of the solution as a function of the radiusmore » of gyration and the average solvent number density within the gyration volume. The resulting system of coupled equations is solved varying the polymer-solvent repulsion strength at high solvent pressure in the bulk. We show that the coil-globule (globule-coil) transition occurs accompanied by a local solvent evaporation (condensation) within the gyration volume.« less

Berni Alder and Phase Transitions in Two Dimensions

NASA Astrophysics Data System (ADS)

Kosterlitz, J. Michael

I do not know Berni Alder as a person, but I feel that I know him well through his seminal paper "Phase Transition in Elastic Disks𠇍 by B. J. Alder and T. E. Wainwright [1962], which was essential in motivating David Thouless and myself to think about phase transitions in two dimensional systems with a continuous symmetry. In the early 1970's, the conventional wisdom was that a crystalline solid could not exist in a two dimensional world because of the rigorous Mermin-Wagner theorem prohibiting true long range translational order at any non-zero temperature. This contradiction was settled by the theory of dislocation mediated melting to an intermediate hexatic phase followed by a second transition to the isotropic fluid at a higher temperature. This scenario, with its associated sophisticated theory, seemed to settle the controversy of two dimensional melting once and for all. However, in our elation at understanding the fundamental physics and the essential excitations of melting in 2D, we had all forgotten that the early work of Berni Alder also showed that this melting involved a weak first order transition while theory now predicted melting by two successive continuous transitions with no discontinuity in area at the critical pressure. This discrepancy could be hand waved away by arguing that Berni's system was far too small and his computers far too slow so that the areal discontinuity could be due to finite size effects or to failing to equilibrate the system. Experiments were not able to resolve the order of the transitions, but seemed to agree quantitatively with theory…

Non-equilibrium quantum phase transition via entanglement decoherence dynamics

PubMed Central

Lin, Yu-Chen; Yang, Pei-Yun; Zhang, Wei-Min

2016-01-01

We investigate the decoherence dynamics of continuous variable entanglement as the system-environment coupling strength varies from the weak-coupling to the strong-coupling regimes. Due to the existence of localized modes in the strong-coupling regime, the system cannot approach equilibrium with its environment, which induces a nonequilibrium quantum phase transition. We analytically solve the entanglement decoherence dynamics for an arbitrary spectral density. The nonequilibrium quantum phase transition is demonstrated as the system-environment coupling strength varies for all the Ohmic-type spectral densities. The 3-D entanglement quantum phase diagram is obtained. PMID:27713556

Partial inertia induces additional phase transition in the majority vote model.

PubMed

Harunari, Pedro E; de Oliveira, M M; Fiore, C E

2017-10-01

Explosive (i.e., discontinuous) transitions have aroused great interest by manifesting in distinct systems, such as synchronization in coupled oscillators, percolation regime, absorbing phase transitions, and more recently, the majority-vote model with inertia. In the latter, the model rules are slightly modified by the inclusion of a term depending on the local spin (an inertial term). In such a case, Chen et al. [Phys Rev. E 95, 042304 (2017)2470-004510.1103/PhysRevE.95.042304] have found that relevant inertia changes the nature of the phase transition in complex networks, from continuous to discontinuous. Here we give a further step by embedding inertia only in vertices with degree larger than a threshold value 〈k〉k^{*}, 〈k〉 being the mean system degree and k^{*} the fraction restriction. Our results, from mean-field analysis and extensive numerical simulations, reveal that an explosive transition is presented in both homogeneous and heterogeneous structures for small and intermediate k^{*}'s. Otherwise, a large restriction can sustain a discontinuous transition only in the heterogeneous case. This shares some similarities with recent results for the Kuramoto model [Phys. Rev. E 91, 022818 (2015)PLEEE81539-375510.1103/PhysRevE.91.022818]. Surprisingly, intermediate restriction and large inertia are responsible for the emergence of an extra phase, in which the system is partially synchronized and the classification of phase transition depends on the inertia and the lattice topology. In this case, the system exhibits two phase transitions.

Mixed-order phase transition of the contact process near multiple junctions.

PubMed

Juhász, Róbert; Iglói, Ferenc

2017-02-01

We have studied the phase transition of the contact process near a multiple junction of M semi-infinite chains by Monte Carlo simulations. As opposed to the continuous transitions of the translationally invariant (M=2) and semi-infinite (M=1) system, the local order parameter is found to be discontinuous for M>2. Furthermore, the temporal correlation length diverges algebraically as the critical point is approached, but with different exponents on the two sides of the transition. In the active phase, the estimate is compatible with the bulk value, while in the inactive phase it exceeds the bulk value and increases with M. The unusual local critical behavior is explained by a scaling theory with an irrelevant variable, which becomes dangerous in the inactive phase. Quenched spatial disorder is found to make the transition continuous in agreement with earlier renormalization group results.

Phase transitions in semisupervised clustering of sparse networks

NASA Astrophysics Data System (ADS)

Zhang, Pan; Moore, Cristopher; Zdeborová, Lenka

2014-11-01

Predicting labels of nodes in a network, such as community memberships or demographic variables, is an important problem with applications in social and biological networks. A recently discovered phase transition puts fundamental limits on the accuracy of these predictions if we have access only to the network topology. However, if we know the correct labels of some fraction α of the nodes, we can do better. We study the phase diagram of this semisupervised learning problem for networks generated by the stochastic block model. We use the cavity method and the associated belief propagation algorithm to study what accuracy can be achieved as a function of α . For k =2 groups, we find that the detectability transition disappears for any α >0 , in agreement with previous work. For larger k where a hard but detectable regime exists, we find that the easy/hard transition (the point at which efficient algorithms can do better than chance) becomes a line of transitions where the accuracy jumps discontinuously at a critical value of α . This line ends in a critical point with a second-order transition, beyond which the accuracy is a continuous function of α . We demonstrate qualitatively similar transitions in two real-world networks.

New insights in the electroweak phase transition in the NMSSM

NASA Astrophysics Data System (ADS)

Huang, Weicong; Kang, Zhaofeng; Shu, Jing; Wu, Peiwen; Yang, Jin Min

2015-01-01

We perform a detailed semianalytical analysis of the electroweak phase transition (EWPT) property in the Next-to-Minimal Supersymmetric standard model, which serves as a good benchmark model in which the 126 GeV Higgs mixes with a singlet. In this case, a strongly first-order electroweak phase transition (SFOEWPT) is achieved by the tree-level effects, and the phase transition strength γc is determined by the vacua energy gap at T =0 . We make an anatomy of the energy gap at both tree level and loop level and extract out a dimensionless phase transition parameter Rκ≡4 κ vs/Aκ, which can replace Aκ in the parameterization and affect the light CP-odd/even Higgs spectra. We find that SFOEWPT only occurs in Rκ˜-1 and positive Rκ≲O (10 ), which in the non-PQ limit case would prefer either a relatively light CP-odd or CP-even Higgs boson ˜(60 ,100 ) GeV , and therefore serves as a smoking gun signal and requires new search strategies at the LHC.

Mapping the phase inhomogeneity across first order spin flop transition

NASA Astrophysics Data System (ADS)

Tripathi, Malvika; Majumder, Supriyo; Choudhary, R. J.; Phase, D. M.

2018-04-01

As a consequence of spin reorientation phase transition (SRPT, TSRPT = 34K) in SmCrO3, the two phases, high temperature uncompensated anti-ferromagnetic Γ4 configuration and low temperature collinear anti-ferromagnetic phase Γ1 coexist in the vicinity of transition. The observed unexpectedly huge coercivity (Hc ˜2T) below SRPT at 25K questions on the behavior of two co-existing phases. In the present study, we have used the FORC diagrams to monitor the distribution of clusters related to different phases and to understand the nature of interaction among the clusters of distinct phases. We observed that the nature of interaction has indeed magnetic effect and the pining across phase boundaries may cause the enhancement of coercivity at 25K.

Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide

DOE PAGES

Whitfield, P. S.; Herron, N.; Guise, W. E.; ...

2016-10-21

Here, we examine the crystal structures and structural phase transitions of the deuterated, partially deuterated and hydrogenous organic-inorganic hybrid perovskite methyl ammonium lead iodide (MAPbI 3) using time-of-flight neutron and synchrotron X-ray powder diffraction. Near 330 K the high temperature cubic phases transformed to a body-centered tetragonal phase. The variation of the order parameter Q for this transition scaled with temperature T as Q (T c-T) , where T c is the critical temperature and the exponent was close to , as predicted for a tricritical phase transition. We also observed coexistence of the cubic and tetragonal phases over amore » range of temperature in all cases, demonstrating that the phase transition was in fact first-order, although still very close to tricritical. Upon cooling further, all the tetragonal phases transformed into a low temperature orthorhombic phase around 160 K, again via a first-order phase transition. Finally, based upon these results, we discuss the impact of the structural phase transitions upon photovoltaic performance of MAPbI 3 based solar cells.« less

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.

Surface Premelting Coupled with Bulk Phase Transitions in Colloidal Crystals

NASA Astrophysics Data System (ADS)

Li, Bo; Wang, Feng; Zhou, Di; Cao, Xin; Peng, Yi; Ni, Ran; Liao, Maijia; Han, Yilong

2015-03-01

Colloids have been used as outstanding model systems for the studies of various phase transitions in bulk, but not at interface yet. Here we obtained equilibrium crystal-vapor interfaces using tunable attractive colloidal spheres and studied the surface premelting at the single-particle level by video microscopy. We found that monolayer crystals exhibit a bulk isostructural solid-solid transition which triggers the surface premelting. The premelting is incomplete due to the interruption of a mechanical-instability-induced bulk melting. By contrast, two- or multilayer crystals do not have the solid-solid transition and the mechanical instability, hence they exhibit complete premelting with divergent surface-liquid thickness. These novel interplays between bulk and surface phase transitions cast new lights for both types of transitions.

Structural properties of pressure-induced structural phase transition of Si-doped GaAs by angular-dispersive X-ray diffraction

NASA Astrophysics Data System (ADS)

Lin, Kung-Liang; Lin, Chih-Ming; Lin, Yu-Sheng; Jian, Sheng-Rui; Liao, Yen-Fa; Chuang, Yu-Chun; Wang, Chuan-Sheng; Juang, Jenh-Yih

2016-02-01

Pressure-induced phase transitions in n-type silicon-doped gallium arsenide (GaAs:Si ) at ambient temperature were investigated by using angular-dispersive X-ray diffraction (ADXRD) under high pressure up to around 18.6 (1) GPa, with a 4:1 (in volume ratio) methanol-ethanol mixture as the pressure-transmitting medium. In situ ADXRD measurements revealed that n-type GaAs:Si starts to transform from zinc- blende structure to an orthorhombic structure [GaAs-II phase], space group Pmm2, at 16.4 (1) GPa. In contrast to previous studies of pure GaAs under pressure, our results show no evidence of structural transition to Fmmm or Cmcm phase. The fitting of volume compression data to the third-order Birch-Murnaghan equation of state yielded that the zero-pressure isothermal bulk moduli and the first-pressure derivatives were 75 (3) GPa and 6.4 (9) for the B3 phase, respectively. After decompressing to the ambient pressure, the GaAs:Si appears to revert to the B3 phase completely. By fitting to the empirical relations, the Knoop microhardness numbers are between H PK = 6.21 and H A = 5.85, respectively, which are substantially smaller than the values of 7-7.5 for pure GaAs reported previously. A discontinuous drop in the pressure-dependent lattice parameter, N- N distances, and V/ V 0 was observed at a pressure of 11.5 (1) GPa, which was tentatively attributed to the pressure-induced dislocation activities in the crystal grown by vertical gradient freeze method.

Quantitative Phase Imaging in a Volume Holographic Microscope

NASA Astrophysics Data System (ADS)

Waller, Laura; Luo, Yuan; Barbastathis, George

2010-04-01

We demonstrate a method for quantitative phase imaging in a Volume Holographic Microscope (VHM) from a single exposure, describe the properties of the system and show experimental results. The VHM system uses a multiplexed volume hologram (VH) to laterally separate images from different focal planes. This 3D intensity information is then used to solve the transport of intensity (TIE) equation and recover phase quantitatively. We discuss the modifications to the technique that were made in order to give accurate results.

Identifying quantum phase transitions with adversarial neural networks

NASA Astrophysics Data System (ADS)

Huembeli, Patrick; Dauphin, Alexandre; Wittek, Peter

2018-04-01

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

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.

Evolution from successive phase transitions to "morphotropic phase boundary" in BaTiO3-based ferroelectrics

NASA Astrophysics Data System (ADS)

Zhou, Chao; Ke, Xiaoqin; Yao, Yonggang; Yang, Sen; Ji, Yuanchao; Liu, Wenfeng; Yang, Yaodong; Zhang, Lixue; Hao, Yanshuang; Ren, Shuai; Zhang, Le; Ren, Xiaobing

2018-04-01

Obtaining superior physical properties for ferroic materials by manipulating the phase transitions is a key concern in solid state physics. Here, we investigated the dielectric permittivity, piezoelectric coefficient d33, storage modulus, and crystal symmetry of (1-x)Ba(Ti0.8Zr0.2)O3-x(Ba1-yCay)TiO3 (BZT-xBCyT) systems to demonstrate the gradual evolution process from successive phase transitions in BaTiO3 to the morphotropic phase boundary (MPB) regime in BZT-xBC0.3T. Furthermore, we analysed with a Landau-type theoretical model to show that the high field-sensitive response (dielectric permittivity) originates from a small polarization anisotropy and low energy barrier at the quadruple point. Together, the intermediate orthorhombic phase regime and the tetragonal-orthorhombic and orthorhombic-rhombohedral phase boundaries constitute the MPB. Our work not only reconciles the arguments regarding whether the structural state around the MPB corresponds to a single-phase regime or a multiple-phase-coexistence regime but also suggests an effective method to design high-performance functional ferroic materials by tailoring the successive phase transitions.

Non-equilibrium phase transitions in a driven-dissipative system of interacting bosons

NASA Astrophysics Data System (ADS)

Young, Jeremy T.; Foss-Feig, Michael; Gorshkov, Alexey V.; Maghrebi, Mohammad F.

2017-04-01

Atomic, molecular, and optical systems provide unique opportunities to study simple models of driven-dissipative many-body quantum systems. Typically, one is interested in the resultant steady state, but the non-equilibrium nature of the physics involved presents several problems in understanding its behavior theoretically. Recently, it has been shown that in many of these models, it is possible to map the steady-state phase transitions onto classical equilibrium phase transitions. In the language of Keldysh field theory, this relation typically only becomes apparent after integrating out massive fields near the critical point, leaving behind a single massless field undergoing near-equilibrium dynamics. In this talk, we study a driven-dissipative XXZ bosonic model and discover critical points at which two fields become gapless. Each critical point separates three different possible phases: a uniform phase, an anti-ferromagnetic phase, and a limit cycle phase. Furthermore, a description in terms of an equilibrium phase transition does not seem possible, so the associated phase transitions appear to be inherently non-equilibrium.

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

Spin-current probe for phase transition in an insulator

DOE PAGES

Qiu, Zhiyong; Li, Jia; Hou, Dazhi; ...

2016-08-30

Spin fluctuation and transition have always been one of the central topics of magnetism and condensed matter science. Experimentally, the spin fluctuation is found transcribed onto scattering intensity in the neutron-scattering process, which is represented by dynamical magnetic susceptibility and maximized at phase transitions. Importantly, a neutron carries spin without electric charge, and therefore it can bring spin into a sample without being disturbed by electric energy. However, large facilities such as a nuclear reactor are necessary. Here we present that spin pumping, frequently used in nanoscale spintronic devices, provides a desktop microprobe for spin transition; spin current is amore » flux of spin without an electric charge and its transport reflects spin excitation. Additionally, we demonstrate detection of antiferromagnetic transition in ultra-thin CoO films via frequency-dependent spin-current transmission measurements, which provides a versatile probe for phase transition in an electric manner in minute devices.« less

Phase Transition of Poly(acrylic acid-co-N-isopropylacrylamide) Core-shell Nanogels

NASA Astrophysics Data System (ADS)

Liu, Xiao-bing; Zhou, Jian-feng; Ye, Xiao-dong

2012-08-01

A series of poly(acrylic acid) macromolecular chain transfer agents with different molecular weights were synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization and characterized by 1H NMR and gel permeation chromatography. Multiresponsive core-shell nanogels were prepared by dispersion polymerization of N-isopropylacrylamide in water using these poly(potassium acrylate) macro-RAFT agents as the electrosteric stabilizer. The size of the nanogels decreases with the amount of the macro-RAFT agent, indicating that the surface area occupied by per polyelectrolyte group is a critical parameter for stabilizing the nanogels. The volume phase transition and the zeta potentials of the nanogels in aqueous solutions were studied by dynamic light scattering and zetasizer analyzer, respectively.

Strain-induced topological magnon phase transitions: applications to kagome-lattice ferromagnets.

PubMed

Owerre, S A

2018-06-20

A common feature of topological insulators is that they are characterized by topologically invariant quantity such as the Chern number and the [Formula: see text] index. This quantity distinguishes a nontrivial topological system from a trivial one. A topological phase transition may occur when there are two topologically distinct phases, and it is usually defined by a gap closing point where the topologically invariant quantity is ill-defined. In this paper, we show that the magnon bands in the strained (distorted) kagome-lattice ferromagnets realize an example of a topological magnon phase transition in the realistic parameter regime of the system. When spin-orbit coupling (SOC) is neglected (i.e. no Dzyaloshinskii-Moriya interaction), we show that all three magnon branches are dispersive with no flat band, and there exists a critical point where tilted Dirac and semi-Dirac point coexist in the magnon spectra. The critical point separates two gapless magnon phases as opposed to the usual phase transition. Upon the inclusion of SOC, we realize a topological magnon phase transition point at the critical strain [Formula: see text], where D and J denote the perturbative SOC and the Heisenberg spin exchange interaction respectively. It separates two distinct topological magnon phases with different Chern numbers for [Formula: see text] and for [Formula: see text]. The associated anomalous thermal Hall conductivity develops an abrupt change at [Formula: see text], due to the divergence of the Berry curvature in momentum space. The proposed topological magnon phase transition is experimentally feasible by applying external perturbations such as uniaxial strain or pressure.

Phase transitions in a system of hard rectangles on the square lattice

NASA Astrophysics Data System (ADS)

Kundu, Joyjit; Rajesh, R.

2014-05-01

The phase diagram of a system of monodispersed hard rectangles of size m ×mk on a square lattice is numerically determined for m =2,3 and aspect ratio k =1,2,...,7. We show the existence of a disordered phase, a nematic phase with orientational order, a columnar phase with orientational and partial translational order, and a solidlike phase with sublattice order, but no orientational order. The asymptotic behavior of the phase boundaries for large k is determined using a combination of entropic arguments and a Bethe approximation. This allows us to generalize the phase diagram to larger m and k, showing that for k ≥7, the system undergoes three entropy-driven phase transitions with increasing density. The nature of the different phase transitions is established and the critical exponents for the continuous transitions are determined using finite size scaling.

Phase-field model for isothermal phase transitions in binary alloys

NASA Technical Reports Server (NTRS)

Wheeler, A. A.; Boettinger, W. J.; Mcfadden, G. B.

1992-01-01

A new phase field model is described which models isothermal phase transitions between ideal binary alloy solution phases. Equations are developed for the temporal and spatial variation of the phase field, which describes the identity of the phase, and of the composition. An asymptotic analysis, as the gradient energy coefficient of the phase field becomes small, was conducted. From the analysis, it is shown that the model recovers classical sharp interface models of this situation when the interfacial layers are thin, and they show how to relate the parameters appearing in the phase field model to material and growth parameters in real systems. Further, three stages of temporal evolution are identified: the first corresponding to interfacial genesis which occurs very rapidly; the second to interfacial motion controlled by the local energy difference across the interface and diffusion; the last taking place on a long time scale in which curvature effects are important and which correspond to Ostwald ripening. The results of the numerical calculations are presented.

Manipulating the stability of crystallographic and magnetic sub-lattices: A first-order magnetoelastic transformation in transition metal based Laves phase

DOE PAGES

Yibole, H.; Pathak, A. K.; Mudryk, Y.; ...

2018-05-24

A first-order magnetoelastic transition (FOMT) is found near the triple point between ferromagnetic, antiferromagnetic and paramagnetic phases in the magneto-chemical phase diagram of (Hf1-xNbx)Fe2 Laves phase system. We show that bringing different magnetic states to the edge of stability, both as a function of the chemical composition and under the influence of external stimuli, such as temperature, pressure and magnetic field, is essential to obtain and control FOMTs. Temperature dependent X-ray diffraction experiments reveal a discontinuity in the lattice parameter a and the unit cell volume without the change in the crystal symmetry at the FOMT. Under applied pressure, themore » transition temperature drastically shifts downward at a remarkable rate of –122 K/GPa. It is this first-order magnetic transition that leads to a negative thermal expansion (NTE) with average ΔV/(VΔT) ≈ –15 × 10 –6 K –1 observed over a 90 K broad temperature range, which is uncommon for magnetoelastic NTE materials. Density functional theory calculations and microstructural analyses demonstrate that the unusual broadness of the FOMT originates from phase separation between ferro- and antiferromagnetic phases, which in turn is rooted in partial segregation of Hf and Nb and a peculiar microstructure. In conclusion, this new understanding of the composition-structure-property relationships in transition metal based Laves phases is an essential step toward a better control and more precise tailoring of rich functionalities in this group of material.« less

Manipulating the stability of crystallographic and magnetic sub-lattices: A first-order magnetoelastic transformation in transition metal based Laves phase

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

Yibole, H.; Pathak, A. K.; Mudryk, Y.

A first-order magnetoelastic transition (FOMT) is found near the triple point between ferromagnetic, antiferromagnetic and paramagnetic phases in the magneto-chemical phase diagram of (Hf1-xNbx)Fe2 Laves phase system. We show that bringing different magnetic states to the edge of stability, both as a function of the chemical composition and under the influence of external stimuli, such as temperature, pressure and magnetic field, is essential to obtain and control FOMTs. Temperature dependent X-ray diffraction experiments reveal a discontinuity in the lattice parameter a and the unit cell volume without the change in the crystal symmetry at the FOMT. Under applied pressure, themore » transition temperature drastically shifts downward at a remarkable rate of –122 K/GPa. It is this first-order magnetic transition that leads to a negative thermal expansion (NTE) with average ΔV/(VΔT) ≈ –15 × 10 –6 K –1 observed over a 90 K broad temperature range, which is uncommon for magnetoelastic NTE materials. Density functional theory calculations and microstructural analyses demonstrate that the unusual broadness of the FOMT originates from phase separation between ferro- and antiferromagnetic phases, which in turn is rooted in partial segregation of Hf and Nb and a peculiar microstructure. In conclusion, this new understanding of the composition-structure-property relationships in transition metal based Laves phases is an essential step toward a better control and more precise tailoring of rich functionalities in this group of material.« less

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

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.

Four-dimensional ultrafast electron microscopy of phase transitions

PubMed Central

Grinolds, Michael S.; Lobastov, Vladimir A.; Weissenrieder, Jonas; Zewail, Ahmed H.

2006-01-01

Reported here is direct imaging (and diffraction) by using 4D ultrafast electron microscopy (UEM) with combined spatial and temporal resolutions. In the first phase of UEM, it was possible to obtain snapshot images by using timed, single-electron packets; each packet is free of space–charge effects. Here, we demonstrate the ability to obtain sequences of snapshots (“movies”) with atomic-scale spatial resolution and ultrashort temporal resolution. Specifically, it is shown that ultrafast metal–insulator phase transitions can be studied with these achieved spatial and temporal resolutions. The diffraction (atomic scale) and images (nanometer scale) we obtained manifest the structural phase transition with its characteristic hysteresis, and the time scale involved (100 fs) is now studied by directly monitoring coordinates of the atoms themselves. PMID:17130445

Dynamics of a two-phase flow through a minichannel: Transition from churn to slug flow

NASA Astrophysics Data System (ADS)

Górski, Grzegorz; Litak, Grzegorz; Mosdorf, Romuald; Rysak, Andrzej

2016-04-01

The churn-to-slug flow bifurcations of two-phase (air-water) flow patterns in a 2mm diameter minichannel were investigated. With increasing a water flow rate, we observed the transition of slugs to bubbles of different sizes. The process was recorded by a digital camera. The sequences of light transmission time series were recorded by a laser-phototransistor sensor, and then analyzed using the recurrence plots and recurrence quantification analysis (RQA). Due to volume dependence of bubbles velocities, we observed the formation of periodic modulations in the laser signal.

A low membrane lipid phase transition temperature is associated with a high cryotolerance of Lactobacillus delbrueckii subspecies bulgaricus CFL1.

PubMed

Gautier, J; Passot, S; Pénicaud, C; Guillemin, H; Cenard, S; Lieben, P; Fonseca, F

2013-09-01

The mechanisms of cellular damage that lactic acid bacteria incur during freeze-thaw processes have not been elucidated to date. Fourier transform infrared spectroscopy was used to investigate in situ the lipid phase transition behavior of the membrane of Lactobacillus delbrueckii ssp. bulgaricus CFL1 cells during the freeze-thaw process. Our objective was to relate the lipid membrane behavior to membrane integrity losses during freezing and to cell-freezing resistance. Cells were produced by using 2 different culture media: de Man, Rogosa, and Sharpe (MRS) broth (complex medium) or mild whey-based medium (minimal medium commonly used in the dairy industry), to obtain different membrane lipid compositions corresponding to different recovery rates of cell viability and functionality after freezing. The lipid membrane behavior studied by Fourier transform infrared spectroscopy was found to be different according to the cell lipid composition and cryotolerance. Freeze-resistant cells, exhibiting a higher content of unsaturated and cyclic fatty acids, presented a lower lipid phase transition temperature (Ts) during freezing (Ts=-8°C), occurring within the same temperature range as the ice nucleation, than freeze-sensitive cells (Ts=+22°C). A subzero value of lipid phase transition allowed the maintenance of the cell membrane in a relatively fluid state during freezing, thus facilitating water flux from the cell and the concomitant volume reduction following ice formation in the extracellular medium. In addition, the lipid phase transition of freeze-resistant cells occurred within a short temperature range, which could be ascribed to a reduced number of fatty acids, representing more than 80% of the total. This short lipid phase transition could be associated with a limited phenomenon of lateral phase separation and membrane permeabilization. This work highlights that membrane phase transitions occurring during freeze-thawing play a fundamental role in the

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.

Spacelab experiment definition study on phase transition and critical phenomena in fluids: Interim report on experimental justification

NASA Technical Reports Server (NTRS)

Moldover, M. R.; Hocken, M. R.; Gammon, R. W.; Sengers, J. V.

1976-01-01

Pure fluids and fluid mixtures near critical points are identified and are related to the progress of several disciplines. Consideration is given to thermodynamic properties, transport properties, and the complex nonlinear phenomena which occur when fluids undergo phase transitions in the critical region. The distinction is made between practical limits which may be extended by advances in technology and intrinsic ones which arise from the modification of fluid properties by the earth's gravitational field. The kinds of experiments near critical points which could best exploit the low gravity environment of an orbiting laboratory are identified. These include studies of the index of refraction, constant volume specific heat, and phase separation.

Estimation of liquid volume fraction using ultrasound transit time spectroscopy

NASA Astrophysics Data System (ADS)

Al-Qahtani, Saeed M.; Langton, Christian M.

2016-12-01

It has recently been proposed that the propagation of an ultrasound wave through complex structures, consisting of two-materials of differing ultrasound velocity, may be considered as an array of parallel ‘sonic rays’, the transit time of each determined by their relative proportion; being a minimum (t min) in entire higher velocity material, and a maximum (t max) in entire lower velocity material. An ultrasound transit time spectrum (UTTS) describes the proportion of sonic rays at an individual transit time. It has previously been demonstrated that the solid volume fraction of a solid:liquid composite, specifically acrylic step-wedges immersed in water, may be reliably estimated from the UTTS. The aim of this research was to investigate the hypothesis that the volume fraction of a two-component liquid mixture, of unequal ultrasound velocity, may also be estimated by UTTS. A through-transmission technique incorporating two 1 MHz ultrasound transducers within a horizontally-aligned cylindrical tube-housing was utilised, the proportion of silicone oil to water being varied from 0% to 100%. The liquid volume fraction was estimated from the UTTS at each composition, the coefficient of determination (R 2%) being 98.9  ±  0.7%. The analysis incorporated a novel signal amplitude normalisation technique to compensate for absorption within the silicone oil. It is therefore envisaged that the parallel sonic ray concept and the derived UTTS may be further applied to the quantification of liquid mixture composition assessment.

Characterizing Phase Transitions in a Model of Neutral Evolutionary Dynamics

NASA Astrophysics Data System (ADS)

Scott, Adam; King, Dawn; Bahar, Sonya

2013-03-01

An evolutionary model was recently introduced for sympatric, phenotypic evolution over a variable fitness landscape with assortative mating (Dees & Bahar 2010). Organisms in the model are described by coordinates in a two-dimensional phenotype space, born at random coordinates with limited variation from their parents as determined by a mutation parameter, mutability. The model has been extended to include both neutral evolution and asexual reproduction in Scott et al (submitted). It has been demonstrated that a second order, non-equilibrium phase transition occurs for the temporal dynamics as the mutability is varied, for both the original model and for neutral conditions. This transition likely belongs to the directed percolation universality class. In contrast, the spatial dynamics of the model shows characteristics of an ordinary percolation phase transition. Here, we characterize the phase transitions exhibited by this model by determining critical exponents for the relaxation times, characteristic lengths, and cluster (species) mass distributions. Missouri Research Board; J.S. McDonnell Foundation

Gravitational waves from a very strong electroweak phase transition

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

Leitao, Leonardo; Mégevand, Ariel, E-mail: lleitao@mdp.edu.ar, E-mail: megevand@mdp.edu.ar

We investigate the production of a stochastic background of gravitational waves in the electroweak phase transition. We consider extensions of the Standard Model which can give very strongly first-order phase transitions, such that the transition fronts either propagate as detonations or run away. To compute the bubble wall velocity, we estimate the friction with the plasma and take into account the hydrodynamics. We track the development of the phase transition up to the percolation time, and we calculate the gravitational wave spectrum generated by bubble collisions, magnetohydrodynamic turbulence, and sound waves. For the kinds of models we consider, we findmore » parameter regions for which the gravitational waves are potentially observable at the planned space-based interferometer eLISA. In such cases, the signal from sound waves is generally dominant, while that from bubble collisions is the least significant of them. Since the sound waves and turbulence mechanisms are diminished for runaway walls, the models with the best prospects of detection at eLISA are those which do not have such solutions. In particular, we find that heavy extra bosons provide stronger gravitational wave signals than tree-level terms.« less

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.

Microstructural fingerprints of phase transitions in shock-loaded iron

NASA Astrophysics Data System (ADS)

Wang, S. J.; Sui, M. L.; Chen, Y. T.; Lu, Q. H.; Ma, E.; Pei, X. Y.; Li, Q. Z.; Hu, H. B.

2013-01-01

The complex structural transformation in crystals under static pressure or shock loading has been a subject of long-standing interest to materials scientists and physicists. The polymorphic transformation is of particular importance for iron (Fe), due to its technological and sociological significance in the development of human civilization, as well as its prominent presence in the earth's core. The martensitic transformation α-->ɛ (bcc-->hcp) in iron under shock-loading, due to its reversible and transient nature, requires non-trivial detective work to uncover its occurrence. Here we reveal refined microstructural fingerprints, needle-like colonies and three sets of {112}<111> twins with a threefold symmetry, with tell-tale features that are indicative of two sequential martensitic transformations in the reversible α-->ɛ phase transition, even though no ɛ is retained in the post-shock samples. The signature orientation relationships are consistent with previously-proposed transformation mechanisms, and the unique microstructural fingerprints enable a quantitative assessment of the volume fraction transformed.

Elastic behaviour and high-pressure phase transition of the P21/n LiAlGe2O6pyroxene

NASA Astrophysics Data System (ADS)

Artac, Andreas; Miletich-Pawliczek, Ronald; Nestola, Fabrizio; Redhammer, Günther J.; Secco, Luciano

2014-05-01

discover of such a transition in pyroxenes. The volume discontinuity at the transition is marked by a big volume decrease reaching a variation of about 3.6% between 5.207 and 5.249 GPa. The entire volume decrease up to 9 GPa is of nearly 10%. The equation of states of the two symmetries P2/n and P21/c clearly show that the high pressure phase is slightly less compressible than the P21/n and this is an anomalous behaviour in Li-bearing pyroxenes, which usually show the higher symmetry phase having a higher compressibility (i.e. Nestola et al. 2008). Structural details and elasticity data will be discussed. References Arlt T., Angel R.J. (2000) Displacive phase transitions in C-centered clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3. Physics and Chemistry of Minerals, 27, 719-731. Periotto B., Nestola F., Balic-Zunic T., Angel R.J., Miletich R., Olsen L.A. (2011) Comparison between beryllium and diamond-backing plates in diamond-anvil cells: Application to single-crystal x-ray diffraction high-pressure data. Review of Scientific Instruments, 82, Article Number: 055111. Redhammer G.J., Nestola F., Miletich R. (2012) Synthetic LiAlGe2O6: the first pyroxene with P21/n symmetry. American Mineralogist, 97, 1213-1218. Nestola F., Boffa Ballaran T., Ohashi H. (2008) The high-pressure C2/c - P21/c phase transition along the LiAlSi2O6-LiGaSi2O6 solid solution. Physics and Chemistry of Minerals, 35, 477-484.

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.

Van der Waals model for phase transitions in thermoresponsive surface films.

PubMed

McCoy, John D; Curro, John G

2009-05-21

Phase transitions in polymeric surface films are studied with a simple model based on the van der Waals equation of state. Each chain is modeled by a single bead attached to the surface by an entropic-Hooke's law spring. The surface coverage is controlled by adjusting the chemical potential, and the equilibrium density profile is calculated with density functional theory. The interesting feature of this model is the multivalued nature of the density profile seen at low temperature. This van der Waals loop behavior is resolved with a Maxwell construction between a high-density phase near the wall and a low-density phase in a "vertical" phase transition. Signatures of the phase transition in experimentally measurable quantities are then found. Numerical calculations are presented for isotherms of surface pressure, for the Poisson ratio, and for the swelling ratio.

Pressure induced phase transition in CdTe nanowire: A DFT study

NASA Astrophysics Data System (ADS)

Bhatia, Manjeet; Khan, Md. Shahzad; Srivastava, Anurag

2018-05-01

We have studied structural phase transition and electronic properties of CdTe nanowires in their wurtzite (B4) to rocksalt (B1) phase by first principles density functional calculations using SIESTA code. Nanowires are derived from wurtzite and rocksalt phase of bulk CdTe with growth direction along 100 planes. We observed structural phase transition from B4→B1 at 4.79 GPa. Wurtzite structure is found to have band gap 2.30 eV while rocksalt is metallic in nature. Our calculated lattice constant (4.55 Å for B4 and 5.84 Å for B1), transition pressure (4.79 GPa) and electronic structure results are in close agreement with the previous calculations on bulk and nanostructures.

Structural and topological phase transitions on the German Stock Exchange

NASA Astrophysics Data System (ADS)

Wiliński, M.; Sienkiewicz, A.; Gubiec, T.; Kutner, R.; Struzik, Z. R.

2013-12-01

We find numerical and empirical evidence for dynamical, structural and topological phase transitions on the (German) Frankfurt Stock Exchange (FSE) in the temporal vicinity of the worldwide financial crash. Using the Minimal Spanning Tree (MST) technique, a particularly useful canonical tool of the graph theory, two transitions of the topology of a complex network representing the FSE were found. The first transition is from a hierarchical scale-free MST representing the stock market before the recent worldwide financial crash, to a superstar-like MST decorated by a scale-free hierarchy of trees representing the market’s state for the period containing the crash. Subsequently, a transition is observed from this transient, (meta)stable state of the crash to a hierarchical scale-free MST decorated by several star-like trees after the worldwide financial crash. The phase transitions observed are analogous to the ones we obtained earlier for the Warsaw Stock Exchange and more pronounced than those found by Onnela-Chakraborti-Kaski-Kertész for the S&P 500 index in the vicinity of Black Monday (October 19, 1987) and also in the vicinity of January 1, 1998. Our results provide an empirical foundation for the future theory of dynamical, structural and topological phase transitions on financial markets.

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

High P-T phase transitions and P-V-T equation of state of hafnium

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

Hrubiak, Rostislav; Drozd, Vadym; Karbasi, Ali

2016-07-29

We measured the volume of hafnium at several pressures up to 67 GPa and at temperatures between 300 to 780 K using a resistively heated diamond anvil cell with synchrotron x-ray diffraction at the Advanced Photon Source. The measured data allows us to determine the P-V-T equation of state of hafnium. The previously described [Xia et al., Phys. Rev. B 42, 6736-6738 (1990)] phase transition from hcp ({alpha}) to simple hexagonal ({omega}) phase at 38 GPa at room temperature was not observed even up to 51 GPa. The {omega} phase was only observed at elevated temperatures. Our measurements have alsomore » improved the experimental constraint on the high P-T phase boundary between the {omega} phase and high pressure bcc ({beta}) phase of hafnium. Isothermal room temperature bulk modulus and its pressure derivative for the {alpha}-phase of hafnium were measured to be B{sub 0} = 112.9{+-}0.5 GPa and B{sub 0}'=3.29{+-}0.05, respectively. P-V-T data for the {alpha}-phase of hafnium was used to obtain a fit to a thermodynamic P-V-T equation of state based on model by Brosh et al. [CALPHAD 31, 173-185 (2007)].« less

Parameter diagnostics of phases and phase transition learning by neural networks

NASA Astrophysics Data System (ADS)

Suchsland, Philippe; Wessel, Stefan

2018-05-01

We present an analysis of neural network-based machine learning schemes for phases and phase transitions in theoretical condensed matter research, focusing on neural networks with a single hidden layer. Such shallow neural networks were previously found to be efficient in classifying phases and locating phase transitions of various basic model systems. In order to rationalize the emergence of the classification process and for identifying any underlying physical quantities, it is feasible to examine the weight matrices and the convolutional filter kernels that result from the learning process of such shallow networks. Furthermore, we demonstrate how the learning-by-confusing scheme can be used, in combination with a simple threshold-value classification method, to diagnose the learning parameters of neural networks. In particular, we study the classification process of both fully-connected and convolutional neural networks for the two-dimensional Ising model with extended domain wall configurations included in the low-temperature regime. Moreover, we consider the two-dimensional XY model and contrast the performance of the learning-by-confusing scheme and convolutional neural networks trained on bare spin configurations to the case of preprocessed samples with respect to vortex configurations. We discuss these findings in relation to similar recent investigations and possible further applications.

Proper time regularization and the QCD chiral phase transition

PubMed Central

Cui, Zhu-Fang; Zhang, Jin-Li; Zong, Hong-Shi

2017-01-01

We study the QCD chiral phase transition at finite temperature and finite quark chemical potential within the two flavor Nambu–Jona-Lasinio (NJL) model, where a generalization of the proper-time regularization scheme is motivated and implemented. We find that in the chiral limit the whole transition line in the phase diagram is of second order, whereas for finite quark masses a crossover is observed. Moreover, if we take into account the influence of quark condensate to the coupling strength (which also provides a possible way of how the effective coupling varies with temperature and quark chemical potential), it is found that a CEP may appear. These findings differ substantially from other NJL results which use alternative regularization schemes, some explanation and discussion are given at the end. This indicates that the regularization scheme can have a dramatic impact on the study of the QCD phase transition within the NJL model. PMID:28401889

Phase transitions in huddling emperor penguins

NASA Astrophysics Data System (ADS)

Richter, S.; Gerum, R.; Winterl, A.; Houstin, A.; Seifert, M.; Peschel, J.; Fabry, B.; Le Bohec, C.; Zitterbart, D. P.

2018-05-01

Emperor penguins (Aptenodytes forsteri) are highly adapted to the harsh conditions of the Antarctic winter: they are able to fast for up to 134 days during breeding. To conserve energy, emperor penguins form tight groups (huddles), which is key for their reproductive success. The effect of different meteorological factors on the huddling behaviour, however, is not well understood. Using time-lapse image recordings of an emperor penguin colony, we show that huddling can be described as a phase transition from a fluid to a solid state. We use the colony density as order parameter, and an apparent temperature that is perceived by the penguins as the thermodynamic variable. We approximate the apparent temperature as a linear combination of four meteorological parameters: ambient temperature, wind speed, global radiation and relative humidity. We find a wind chill factor of  ‑2.9 , a humidity chill factor of  ‑0.5 rel. humidity, and a solar radiation heating factor of 0.3 . In the absence of wind, humidity and solar radiation, the phase transition temperature (50% huddling probability) is  ‑48.2 °C for the investigated time period (May 2014). We propose that higher phase transition temperatures indicate a shrinking thermal insulation and thus can serve as a proxy for lower energy reserves of the colony, integrating pre-breeding foraging success at sea and energy expenditure at land due to environmental conditions. As current global change is predicted to have strong detrimental effects on emperor penguins within the next decades, our approach may thus contribute towards an urgently needed long-term monitoring system for assessing colony health.

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.

Interplay of the Glass Transition and the Liquid-Liquid Phase Transition in Water

PubMed Central

Giovambattista, Nicolas; Loerting, Thomas; Lukanov, Boris R.; Starr, Francis W.

2012-01-01

Water has multiple glassy states, often called amorphous ices. Low-density (LDA) and high-density (HDA) amorphous ice are separated by a dramatic, first-order like phase transition. It has been argued that the LDA-HDA transformation connects to a first-order liquid-liquid phase transition (LLPT) above the glass transition temperature Tg. Direct experimental evidence of the LLPT is challenging to obtain, since the LLPT occurs at conditions where water rapidly crystallizes. In this work, we explore the implications of a LLPT on the pressure dependence of Tg(P) for LDA and HDA by performing computer simulations of two water models – one with a LLPT, and one without. In the absence of a LLPT, Tg(P) for all glasses nearly coincide. When there is a LLPT, different glasses exhibit dramatically different Tg(P) which are directly linked with the LLPT. Available experimental data for Tg(P) are only consistent with the scenario including a LLPT. PMID:22550566

Interplay of the Glass Transition and the Liquid-Liquid Phase Transition in Water

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Loerting, Thomas; Lukanov, Boris R.; Starr, Francis W.

2012-05-01

Water has multiple glassy states, often called amorphous ices. Low-density (LDA) and high-density (HDA) amorphous ice are separated by a dramatic, first-order like phase transition. It has been argued that the LDA-HDA transformation connects to a first-order liquid-liquid phase transition (LLPT) above the glass transition temperature Tg. Direct experimental evidence of the LLPT is challenging to obtain, since the LLPT occurs at conditions where water rapidly crystallizes. In this work, we explore the implications of a LLPT on the pressure dependence of Tg(P) for LDA and HDA by performing computer simulations of two water models - one with a LLPT, and one without. In the absence of a LLPT, Tg(P) for all glasses nearly coincide. When there is a LLPT, different glasses exhibit dramatically different Tg(P) which are directly linked with the LLPT. Available experimental data for Tg(P) are only consistent with the scenario including a LLPT.

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.

Microscopic Studies of Quantum Phase Transitions in Optical Lattices

NASA Astrophysics Data System (ADS)

Bakr, Waseem S.

2011-12-01

In this thesis, I report on experiments that microscopically probe quantum phase transitions of ultracold atoms in optical lattices. We have developed a "quantum gas microscope" that allowed, for the first time, optical imaging and manipulation of single atoms in a quantum-degenerate gas on individual sites of an optical lattice. This system acts as a quantum simulator of strongly correlated materials, which are currently the subject of intense research because of the technological potential of high--T c superconductors and spintronic materials. We have used our microscope to study the superfluid to Mott insulator transition in bosons and a magnetic quantum phase transition in a spin system. In our microscopic study of the superfluid-insulator transition, we have characterized the on-site number statistics in a space- and time-resolved manner. We observed Mott insulators with fidelities as high as 99%, corresponding to entropies of 0.06kB per particle. We also measured local quantum dynamics and directly imaged the shell structure of the Mott insulator. I report on the first quantum magnetism experiments in optical lattices. We have realized a quantum Ising chain in a magnetic field, and observed a quantum phase transition between a paramagnet and antiferromagnet. We achieved strong spin interactions by encoding spins in excitations of a Mott insulator in a tilted lattice. We detected the transition by measuring the total magnetization of the system across the transition using in-situ measurements as well as the Neel ordering in the antiferromagnetic state using noise-correlation techniques. We characterized the dynamics of domain formation in the system. The spin mapping introduced opens up a new path to realizing more exotic states in optical lattices including spin liquids and quantum valence bond solids. As our system sizes become larger, simulating their physics on classical computers will require exponentially larger resources because of entanglement build

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.

Phase Transition in a Healthy Human Heart Rate

NASA Astrophysics Data System (ADS)

Kiyono, Ken; Struzik, Zbigniew R.; Aoyagi, Naoko; Togo, Fumiharu; Yamamoto, Yoshiharu

2005-07-01

A healthy human heart rate displays complex fluctuations which share characteristics of physical systems in a critical state. We demonstrate that the human heart rate in healthy individuals undergoes a dramatic breakdown of criticality characteristics, reminiscent of continuous second order phase transitions. By studying the germane determinants, we show that the hallmark of criticality—highly correlated fluctuations—is observed only during usual daily activity, and a breakdown of these characteristics occurs in prolonged, strenuous exercise and sleep. This finding is the first reported discovery of the dynamical phase transition phenomenon in a biological control system and will be a key to understanding the heart rate control system in health and disease.

Phases and phase transition in insoluble and adsorbed monolayers of amide amphiphiles: Specific characteristics of the condensed phases.

PubMed

Vollhardt, D

2015-08-01

For understanding the role of amide containing amphiphiles in inherently complex biological processes, monolayers at the air-water interface are used as simple biomimetic model systems. The specific characteristics of the condensed phases and phase transition in insoluble and adsorbed monolayers of amide amphiphiles are surveyed to highlight the effect of the chemical structure of the amide amphiphiles on the interfacial interactions in model monolayers. The mesoscopic topography and/or two-dimensional lattice structures of selected amino acid amphiphiles, amphiphilic N-alkylaldonamide, amide amphiphiles with specific tailored headgroups, such as amide amphiphiles based on derivatized ethanolamine, e.g. acylethanolamines (NAEs) and N-,O-diacylethanolamines (DAEs) are presented. Special attention is devoted the dominance of N,O-diacylated ethanolamine in mixed amphiphilic acid amide monolayers. The evidence that a first order phase transition can occur in adsorption layers and that condensed phase domains of mesoscopic scale can be formed in adsorption layers was first obtained on the basis of the experimental characteristics of a tailored amide amphiphile. New thermodynamic and kinetic concepts for the theoretical description of the characteristics of amide amphiphile's monolayers were developed. In particular, the equation of state for Langmuir monolayers generalized for the case that one, two or more phase transitions occur, and the new theory for phase transition in adsorbed monolayers are experimentally confirmed at first by amide amphiphile monolayers. Despite the significant progress made towards the understanding the model systems, these model studies are still limited to transfer the gained knowledge to biological systems where the fundamental physical principles are operative in the same way. The study of biomimetic systems, as described in this review, is only a first step in this direction. Copyright © 2014 Elsevier B.V. All rights reserved.

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

How tetraquarks can generate a second chiral phase transition

DOE PAGES

Pisarski, Robert D.; Skokov, Vladimir V.

2016-09-09

We consider how tetraquarks can affect the chiral phase transition in theories like QCD, with light quarks coupled to three colors. For two flavors the tetraquark field is an isosinglet, and its effect is minimal. For three flavors, however, the tetraquark field transforms in the same representation of the chiral symmetry group as the usual chiral order parameter, and so for very light quarks there may be two chiral phase transitions, which are both of first order. In QCD, results from the lattice indicate that any transition from the tetraquark condensate is a smooth crossover. In the plane of temperature,more » T, and quark chemical potential, μ, though, a crossover line for the tetraquark condensate is naturally related to the transition line for color superconductivity. For four flavors we suggest that a triquark field, antisymmetric in both flavor and color, combine to form hexaquarks.« less

Understanding crumpling lipid vesicles at the gel phase transition

NASA Astrophysics Data System (ADS)

Hirst, Linda; Ossowski, Adam; Fraser, Matthew

2011-03-01

Wrinkling and crumpling transitions in different membrane types have been studied extensively in recent years both theoretically and computationally. There has also been very interesting recent work on defects in liquid crystalline shells. Lipid bilayer vesicles, widely used in biophysical research can be considered as a single layer smectic shell in the liquid crystalline phase. On cooling the lipid vesicle a transition to the gel phase may take place in which the lipid chains tilt and assume a more ordered packing arrangement. We observe large scale morphological changes in vesicles close to this transition point using fluorescence microscopy and investigate the possible mechanisms for this transition. Confocal microscopy is used to map 3D vesicle shape and crumpling length-scales. We also employ the molecular tilt sensitive dye, Laurdan to investigate the role of tilt domain formation on macroscopic structure. Funded by NSF CAREER award (DMR - BMAT #0852791).

Wetting Transitions Displayed by Persistent Active Particles

NASA Astrophysics Data System (ADS)

Sepúlveda, Néstor; Soto, Rodrigo

2017-08-01

A lattice model for active matter is studied numerically, showing that it displays wetting transitions between three distinctive phases when in contact with an impenetrable wall. The particles in the model move persistently, tumbling with a small rate α , and interact via exclusion volume only. When increasing the tumbling rates α , the system transits from total wetting to partial wetting and unwetting phases. In the first phase, a wetting film covers the wall, with increasing heights when α is reduced. The second phase is characterized by wetting droplets on the wall with a periodic spacing between them. Finally, the wall dries with few particles in contact with it. These phases present nonequilibrium transitions. The first transition, from partial to total wetting, is continuous and the fraction of dry sites vanishes continuously when decreasing the tumbling rate α . For the second transition, from partial wetting to dry, the mean droplet distance diverges logarithmically when approaching the critical tumbling rate, with saturation due to finite-size effects.

Remarks on the Phase Transition in QCD

NASA Astrophysics Data System (ADS)

Wilczek, Frank

The significance of the question of the order of the phase transition in QCD, and recent evidence that real-world QCD is probably close to having a single second order transition as a function of temperature, is reviewed. Although this circumstance seems to remove the possibility that the QCD transition during the big bang might have had spectacular cosmological consequences, there is some good news: it allows highly non-trivial yet reliable quantitative predictions to be made for the behavior near the transition. These predictions can be tested in numerical simulations and perhaps even eventually in heavy ion collisions. The present paper is a very elementary discussion of the relevant concepts, meant to be an accessible introduction for those innocent of the renormalization group approach to critical phenomena and/or the details of QCD.

One-Way Deficit and Quantum Phase Transitions in XX Model

NASA Astrophysics Data System (ADS)

Wang, Yao-Kun; Zhang, Yu-Ran

2018-02-01

Quantum correlations including entanglement and quantum discord have drawn much attention in characterizing quantum phase transitions. Quantum deficit originates in questions regarding work extraction from quantum systems coupled to a heat bath (Oppenheim et al. Phys. Rev. Lett. 89, 180402, 2002). It links quantum thermodynamics with quantum correlations and provides a new standpoint for understanding quantum non-locality. In this paper, we evaluate the one-way deficit of two adjacent spins in the bulk for the XX model. In the thermodynamic limit, the XX model undergoes a first order transition from fully polarized to a critical phase with quasi-long-range order with decrease of quantum parameter. We find that the one-way deficit becomes nonzero after the critical point. Therefore, the one-way deficit characterizes the quantum phase transition in the XX 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.

Paraelectric-antiferroelectric phase transition in achiral liquid crystals

NASA Astrophysics Data System (ADS)

Pociecha, Damian; Gorecka, Ewa; Čepič, Mojca; Vaupotič, Nataša; Gomola, Kinga; Mieczkowski, Jozef

2005-12-01

Critical freezing of molecular rotation in an achiral smectic phase, which leads to polar ordering through the second order paraelectric-antiferroelectric (Sm-A→Sm-APA) phase transition is studied theoretically and experimentally. Strong softening of the polar mode in the Sm-A phase and highly intensive dielectric mode in the Sm-APA phase are observed due to weak antiferroelectric interactions in the system. In the Sm-APA phase the dielectric response behaves critically upon biasing by a dc electric field. Such a behavior is found general for the antiferroelectric smectic phase with significant quadrupolar interlayer coupling.

Absorbing phase transitions in deterministic fixed-energy sandpile models

NASA Astrophysics Data System (ADS)

Park, Su-Chan

2018-03-01

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

Absorbing phase transitions in deterministic fixed-energy sandpile models.

PubMed

Park, Su-Chan

2018-03-01

We investigate the origin of the difference, which was noticed by Fey et al. [Phys. Rev. Lett. 104, 145703 (2010)PRLTAO0031-900710.1103/PhysRevLett.104.145703], between the steady state density of an Abelian sandpile model (ASM) and the transition point of its corresponding deterministic fixed-energy sandpile model (DFES). Being deterministic, the configuration space of a DFES can be divided into two disjoint classes such that every configuration in one class should evolve into one of absorbing states, whereas no configurations in the other class can reach an absorbing state. Since the two classes are separated in terms of toppling dynamics, the system can be made to exhibit an absorbing phase transition (APT) at various points that depend on the initial probability distribution of the configurations. Furthermore, we show that in general the transition point also depends on whether an infinite-size limit is taken before or after the infinite-time limit. To demonstrate, we numerically study the two-dimensional DFES with Bak-Tang-Wiesenfeld toppling rule (BTW-FES). We confirm that there are indeed many thresholds. Nonetheless, the critical phenomena at various transition points are found to be universal. We furthermore discuss a microscopic absorbing phase transition, or a so-called spreading dynamics, of the BTW-FES, to find that the phase transition in this setting is related to the dynamical isotropic percolation process rather than self-organized criticality. In particular, we argue that choosing recurrent configurations of the corresponding ASM as an initial configuration does not allow for a nontrivial APT in the DFES.

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

Critical phenomena at the complex tensor ordering phase transition

NASA Astrophysics Data System (ADS)

Boettcher, Igor; Herbut, Igor F.

2018-02-01

We investigate the critical properties of the phase transition towards complex tensor order that has been proposed to occur in spin-orbit-coupled superconductors. For this purpose, we formulate the bosonic field theory for fluctuations of the complex irreducible second-rank tensor order parameter close to the transition. We then determine the scale dependence of the couplings of the theory by means of the perturbative renormalization group (RG). For the isotropic system, we generically detect a fluctuation-induced first-order phase transition. The initial values for the running couplings are determined by the underlying microscopic model for the tensorial order. As an example, we study three-dimensional Luttinger semimetals with electrons at a quadratic band-touching point. Whereas the strong-coupling transition of the model receives substantial fluctuation corrections, the weak-coupling transition at low temperatures is rendered only weakly first order due to the presence of a fixed point in the vicinity of the RG trajectory. If the number of fluctuating complex components of the order parameter is reduced by cubic anisotropy, the theory maps onto the field theory for frustrated magnetism.

Visualization of a stable intermediate phase in photoinduced metal-to-insulator transition in manganites

NASA Astrophysics Data System (ADS)

Lin, Hanxuan; Liu, Hao; Bai, Yu; Miao, Tian; Yu, Yang; Zhu, Yinyan; Chen, Hongyan; Kou, Yunfang; Niu, Jiebin; Wang, Wenbin; Yin, Lifeng; Shen, Jian

First order metal-insulator transition, accounting for various intriguing phenomena, is one of the most important phase transitions in condensed matter systems. Aside from the initial and final states, i.e. the metallic and insulating phases, no stable intermediate phase has been experimentally identified in such first order phase transition, though some transient phases do exist at the ultrafast time scale. Here, using our unique low-temperature, high-field magnetic force microscopy with photoexcitation, we directly observed a stable intermediate phase emerging and mediating the photoinduced first order metal-insulator transition in manganites. This phase is characteristic of low net magnetization and high resistivity. Our observations unveil the microscopic details of the photoinduced metal-insulator transition in manganites, which may be insightful to study first order metal-insulator transition in other condensed matter systems. This work was supported by National Key Research Program of China (2016YFA0300702), National Basic Research Program of China (973 Program) under the Grant No. 2013CB932901 and 2014CB921104; National Natural Science Foundation of China (11274071, 11504053).

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

PubMed

Bar, Amir; Mukamel, David

2014-01-10

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

Surface charge sensing by altering the phase transition in VO2

NASA Astrophysics Data System (ADS)