Critical point and mechanism of the fluid–fluid phase transition in warm dense hydrogen

The density functional theory is used to calculate the equation of state and the proton–proton pair correlation functions in the range of hydrogen temperatures and densities where the fluid–fluid phase transition is expected. The metastable states are considered. The critical temperature has been estimated to be ~4000 K. We propose a two-step mechanism: the partial ionization of molecules to produce H ₂ ⁺ ions at the phase transition followed by the formation of H ₃ ⁺ ions.     

Qualitative change of fluctuation observed in real traffic flow

We studied the nature of fluctuations around the phase transition of vehicular traffic by analyzing a time series of successive variations of velocity, obtained from single-vehicle data measured by an onboard apparatus. We found that the probability density function calculated from the time series of variation of velocity is transformed irreversibly in the critical region, where a Gaussian distribution changes into a Lévy stable symmetrical distribution. The power-law tail in the Lévy distribution indicated that the time series of velocity variation exhibits the nature of the critical fluctuations generally observed in phase transitions driven far from equilibrium. Furthermore, single-vehicle data enabled us to calculate the time evolution of the local flux–density relation, which suggested that the vehicular traffic system spontaneously approaches a delicate balance between metastable states and congested-flow states. The nature of fluctuations enables us to understand mechanisms behind the spontaneous decay of the metastable branch at the phase transition. The power-law tail in the probability density function suggests that dynamical processes of vehicular traffic in the critical region are related to a time-discrete stochastic process driven by random amplification with additive external noise.     

Finite Size Effects and Metastability in Zero-Range Condensation

We study zero-range processes which are known to exhibit a condensation transition, where above a critical density a non-zero fraction of all particles accumulates on a single lattice site. This phenomenon has been a subject of recent research interest and is well understood in the thermodynamic limit. The system shows large finite size effects, and we observe a switching between metastable fluid and condensed phases close to the critical point, in contrast to the continuous limiting behaviour of relevant observables. We describe the leading order finite size effects and establish a discontinuity near criticality in a rigorous scaling limit. We also characterise the metastable phases using a current matching argument and an extension of the fluid phase to supercritical densities. This constitutes an interesting example where the thermodynamic limit fails to capture essential parts of the dynamics, which are particularly relevant in applications with moderate system sizes such as traffic flow or granular clustering.     

Anomalous Scenario for Termination of Metastable Melting in Simplified Coulomb Models in the Zero‐Temperature Limit

Two non‐standard scenarios of melting termination in deep metastable states are studied in the zero‐temperature limit on the base of two variants of modified one‐component Coulomb models. These additional scenarios supplement the previously studied standard case of “spinodal decomposition” (Iosilevskiy and Chigvintsev, arXiv:0609059) when liquid binodal of metastable freezing (liquidus) is terminated in intersection with gas‐liquid spinodal. In the first new scenario hypothetical unique crystal‐fluid global phase coexistence is realized as smooth superposition of melting and sublimation transitions (without gas‐liquid transition and corresponding critical point). The second new type of “spinodal decomposition” scenario is related to the situation when solid binodal of metastable melting (solidus) intersects spinodal of metastable isostructural crystal‐crystal phase transition. Modified one‐component Coulomb models allow one to investigate in details all features of such “spinodal decomposition” scenarios (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Dissociation and dissociative phase transition in dense hydrogen

A simple physical model is proposed for dissociating dense fluid hydrogen. We propose that free dissociated atoms interact via quantum electron-electron exchange analogously to the interaction in the liquid-metal phase of alkali metals. The density dependence of a hydrogen atom’s binding energy in such a quasi-liquid is calculated. It is shown that the transition from the molecular fluid to liquid hydrogen is a first-order phase transition. The critical parameters of the transition are determined: P _c = 72 GPa, T _c = 10500 K, and ρ _c = 0.5 g/cm³. The possibility of the metastable existence of atomic liquid hydrogen in a dissociated molecular fluid under decreased pressure is established.     

Bonding in the superionic phase of water

The predicted superionic phase of water is investigated via ab initio molecular dynamics at densities of 2.0--3.0 g/cc (34-115 GPa) along the 2000 K isotherm. We find that extremely rapid (superionic) diffusion of protons occurs in a fluid phase at pressures between 34 and 58 GPa. A transition to a stable body-centered cubic O lattice with superionic proton conductivity is observed between 70 and 75 GPa, a much higher pressure than suggested in prior work. We find that all molecular species at pressures greater than 75 GPa are too short lived to be classified as bound states. Up to 95 GPa, we find a solid superionic phase characterized by covalent O-H bonding. Above 95 GPa, a transient network phase is found characterized by symmetric O-H hydrogen bonding with nearly 50% covalent character. In addition, we describe a metastable superionic phase with quenched O disorder.     

高压下Fe从bcc到hcp结构相变机理的第一性原理计算

采用基于密度泛函理论的第一性原理方法, 分别研究了压力作用下Fe从体心立方 (bcc,α 相) 结构到六角密排(hcp, ε相) 结构相变的两种不同的相变机理: 相变过程中出现亚稳定的面心立方(fcc) 结构(bcc-fcc-hcp) , 以及相变过程中没有出现亚稳定的fcc结构(bcc-hcp) . 计算结果表明: 静水压力条件下, 相变过程中并不会产生亚稳定的fcc结构, 这与最近的原位XRD实验测量结果相一致. 随着压力的增加, fcc-hcp的相变势垒逐渐增加, 压力趋向于阻止Fe从fcc结构到hcp结构的相变. 计算得到了相变过程中原子磁性和结构的详细信息, 分析表明相变过程中涉及复杂的磁性转变, 并且讨论了原子磁性对结构转变影响的物理机理. 此外, 对分子动力学模拟中产生亚稳定的fcc结构的原因也进行了讨论. 关键词： 相变机理 静水压力 第一性原理 铁     

Relaxation Height in Energy Landscapes: An Application to Multiple Metastable States

The study of systems with multiple (not necessarily degenerate) metastable states presents subtle difficulties from the mathematical point of view related to the variational problem that has to be solved in these cases. We prove sufficient conditions to identify multiple metastable states. Since this analysis typically involves non-trivial technical issues, we give different conditions that can be chosen appropriately depending on the specific model under study. We show how these results can be used to attack the problem of multiple metastable states via the use of the modern approaches to metastability. We finally apply these general results to the Blume–Capel model for a particular choice of the parameters for which the model happens to have two multiple not degenerate in energy metastable states. We estimate in probability the time for the transition from the metastable states to the stable state. Moreover we identify the set of critical configurations that represent the minimal gate for the transition.     

Phase transitions in nuclear matter: metastability and fluctuations

Supercooled and overheated metastable states near the phase transition between hadronic matter and the quark-gluon plasma are considered. The Blaizot-Ollitraut equation of state is generalized to include metastable states. A stability criterion is formulated and its connection with the Ginzburg parameter, familiar in the theory of phase transitions, is established. Fluctuations and bubble creation as well as an inflation scenario of the universe during its hadronic era are discussed.     

Isotropic to nematic liquid crystalline phase transition of F-actin varies from continuous to first order

We report that the properties of the isotropic to nematic liquid crystalline phase transition of F-actin depend critically on the average filament length. For average filament lengths longer than 2 microm, we confirm previous findings that the phase transition is continuous in both alignment and concentration. For average filament lengths shorter than 2 microm, we show for the first time a first order transition with a clear discontinuity in both alignment and concentration. Tactoidal droplets of coexisting isotropic and nematic phases, differing in concentration by approximately 30%, form over the course of hours and appear to settle into near equilibrium metastable states.     

Equilibration and dynamic phase transitions of a driven vortex lattice

We report on the observation of two types of current driven transitions in metastable vortex lattices. The metastable states, which are missed in usual slow transport measurements, are detected with a fast transport technique in the vortex lattice of undoped 2H-NbSe2. The transitions are seen by following the evolution of these states when driven by a current. At low currents we observe an equilibration transition from a metastable to a stable state, followed by a dynamic crystallization transition at high currents.     

Instability of a Low-Frequency Gravity—Capillary Wave under Stationary Ultrasonic Irradiation

JETP Letters - Equilibrium and metastable states of a liquid are studied near the liquid-crystal phase transition point in a metallic melt using a time-dependent four-point correlation function....     

Rydberg spectroscopy in an optical lattice: blackbody thermometry for atomic clocks

We show that optical spectroscopy of Rydberg states can provide accurate in situ thermometry at room temperature. Transitions from a metastable state to Rydberg states with principal quantum numbers of 25-30 have 200 times larger fractional frequency sensitivities to blackbody radiation than the strontium clock transition. We demonstrate that magic-wavelength lattices exist for both strontium and ytterbium transitions between the metastable and Rydberg states. Frequency measurements of Rydberg transitions with 10(-16) accuracy provide 10 mK resolution and yield a blackbody uncertainty for the clock transition of 10(-18).     

Wetting behaviour of a model symmetric binary mixture with partially miscible components from a density functional approach

We investigate wetting transitions in a binary fluid at a solid surface by means of a density functional approach. For this purpose we use the symmetric binary mixture model, which exhibits a demixing in a bulk phase. We concentrate on the evaluation of the phase diagrams in the case of adsorption from a gas phase at a fixed composition. Our calculations have revealed different scenarios, leading to the change of wettability of the surface. In the case of adsorption from an equimolar bulk gas the wetting transition may be of the first or of the second order. In the case of non-equimolar bulk composition we observe either a transition from partial to complete wetting, or a first-order transition between two partial wetting states.     

Collective Motion of Atoms in a Superheated Crystal and a Supercooled Melt of a Simple Metal

JETP Letters - Stable and metastable states of a crystal and a melt have been studied near the equilibrium crystal–melt phase transition point using a four-point correlation coefficient...     

Monte Carlo simulation of a random-field Ising antiferromagnet

Phase transitions in the three-dimensional diluted Ising antiferromagnet in an applied magnetic field are analyzed numerically. It is found that random magnetic field in a system with spin concentration below a certain threshold induces a crossover from second-order phase transition to first-order transition to a new phase characterized by a spin-glass ground state and metastable energy states at finite temperatures.     

Structure of phase change materials for data storage

Phase change materials based on chalcogenide alloys play an important role in optical and electrical memory devices. Both applications rely on the reversible phase transition of these alloys between amorphous and metastable cubic states. However, their atomic arrangements are not yet clear, which results in the unknown phase change mechanism of the utilization. Here using ab initio calculations we have determined the atomic arrangements. The results show that the metastable structure consists of special repeated units possessing rocksalt symmetry, whereas the so-called vacancy positions are highly ordered and layered and just result from the cubic symmetry. Finally, the fast and reversible phase change comes from the intrinsic similarity in the structures of the amorphous and metastable states.     

Topological winding and unwinding in metastable Bose-Einstein condensates

Topological winding and unwinding in a quasi-one-dimensional metastable Bose-Einstein condensate are shown to be manipulated by changing the strength of interaction or the frequency of rotation. Exact diagonalization analysis reveals that quasidegenerate states emerge spontaneously near the transition point, allowing a smooth crossover between topologically distinct states. On a mean-field level, the transition is accompanied by formation of gray solitons, or density notches, which serve as an experimental signature of this phenomenon.     

Experimental evidence of a phase transition in a closed turbulent flow

We experimentally study the susceptibility to symmetry breaking of a closed turbulent von Kármán swirling flow from Re=150 to Re?10?. We report a divergence of this susceptibility at an intermediate Reynolds number Re=Re(χ)?90,000 which gives experimental evidence that such a highly space and time fluctuating system can undergo a "phase transition." This transition is furthermore associated with a peak in the amplitude of fluctuations of the instantaneous flow symmetry corresponding to intermittencies between spontaneously symmetry breaking metastable states.