Existence of enantiomeric phase separation in a three-dimensional lattice gas model

A three-dimensional lattice gas model for enantiomeric phase separation is introduced. The enantiomeric molecules (d andl) are the two nonsuperimposable mirror images having the molecular structure C(AB)₂, where C is a tetrahedrally bonded carbon atom with one bond to each end of two AB groups. The lattice gas model consists of a body-centered cubic lattice, each site of which can be either vacant or occupied by a molecule oriented so that the A and B groups point toward neighboring lattice sites. Pairs of molecules interact with short-range, orientationally-dependent interactions. For a domain of interaction parameters, the Pirogov-Sinai extension of the Peierls argument is used to prove thatd-rich andl-rich phases exist in the model at sufficiently low temperature. For another domain of interaction parameters, at sufficiently high chemical potential there is an infinite number of ground states, each containing a racemic mixture ofd andl molecules.     

Frustration and quantum phase transitions in an anisotropic antiferromagnet on a square lattice

We study the effect of frustration between nearest and next-nearest neighbors of the quantum S=1 anisotropic Heisenberg model on a square lattice using the bond operator technique. A single-site anisotropy term induces a quantum phase transition in the system. We calculate the effect of zero-temperature quantum fluctuations on the magnetization for the Néel and collinear antiferromagnetic phases.     

Phase transitions in lattice gas models for water

Water-like lattice gases on the triangular and body-centered cubic lattices are investigated. Molecules may reside on the lattice sites in either of two possible orientations, a hydrogen bond being formed between molecules on neighboring sites if they have the proper orientation with respect to one another. For a range of chemical potential at sufficiently low temperatures, the models are shown to have an ordered phase consisting of an open, hydrogen-bonded, icelike structure. The models are shown to be transitionfree at sufficiently high temperature, indicating the existence of a critical point.Research supported in part by the U.S. National Science Foundation, Grant CHE-7726177, and by The Robert A. Welch Foundation, Grant P-446.     

Fluctuation corrections at first order phase transitions: Application to C60

The temperature dependence of the elastic constants in C₆₀ is quite unusual in the vicinity of the order-disorder phase transition at 260 K, in sharp contrast to simple mean-field calculations. The observed deviations seem to be a combination of dynamical processes, the influence of defects and fluctuation effects. The latter are expected to be important, since the Landau free energy admits a third order term in the order parameter. We develop field theoretic perturbation theory for general models of this type. The formalism is applied to a simple scalar model of C₆₀ and the resulting temperature dependence of elastic constants is discussed.     

Magnetic phase structure on the Penrose lattice

The Ising model on a two-dimensional Penrose tiling is studied by means of the Migdal-Kadanoff scheme. This approximate renormalization method closely follows the inflation rules of the tiling, which are easily described in terms of Robinson triangles, and lead to the consideration of four types of nearest neighbor couplings. The ferromagnetic phase transition is similar to the usual one encountered on periodic lattices. When the couplings have both signs, the presence of frustration without randomness yields a fairly intricate phase diagram, essentially made up of two regions with a very complicated border. Region I consists of quasiferromagnetic models, which exhibit long-range order below some finite critical temperature. The models of region II are paramagnetic at nonzero (low) temperature, but may become ordered (reen-trant phases) in a higher temperature range.     

格子Boltzmann方法在相变过程中的应用

提出了一种新的描述气液相变过程的单组分格子Boltzmann模型,利用该模型模拟水以及氨分别在R-K,RKS和P-R状态方程控制下的相变过程,发现相对于R-K和RKS状态方程,水以及氨在P-R状态方程控制下模拟结果均与实验值更接近;特别地,P-R状态方程更适合描述氨.为验证该模型处理两相问题的能力,利用该模型模拟不同温度下水以及氨在P-R状态方程控制下的界面密度梯度,所得的结果与经典的界面理论相符.为此,进一步探讨了气泡(液滴)与周围液体(气体)处于力平衡和热平衡时,气泡(液滴)内外压力差在不同温度下与其半径之间的关系,所得的结果满足Laplace定律,并得到了不同温度下水以及氨的表面张力,发现均与实验值符合得很好,且与表面张力临界理论甚为相符.     

Variation of cluster properties in lattice percolation problem: A prototype of phase transition

Properties of clusters appearing in the site percolation problem on square and cubic lattices are expressed in a way that emphasizes the thermodynamic analogy. It is shown that the analog of the specific heat exhibits expected critical behaviour as a function of the analog of the temperature. The results support the notion that the partition of the specific heat of Ising systems (Borstnik and Lukman, Phys. Rev. E 60, 2595 (1999)) into the structural and populational component is a meaningful one. Another cluster property which is taken under the scrutiny is the fractal dimensionality of clusters which also indicates the presence of phase transition. Received 31 August 1999 and Received in final form 14 February 2000     

Simulating liquid-vapor phase separation under shear with lattice Boltzmann method

We study liquid-vapor phase separation under shear via the Shan-Chen lattice Boltzmann model. Besides the rheological characteristics, we analyze the Kelvin-Helmholtz (K-H) instability resulting from the tangential velocity difference of the fluids on two sides of the interface. We discuss also the growth behavior of droplets. The domains being close to the walls are lamellar-ordered, where the hydrodynamic effects dominate. The patterns in the bulk of the system are nearly isotropic, where the domain growt...     

Non-equilibrium phase transition of the fully frustrated square lattice Coulomb gas model

The non-equilibrium phase transitions of the fullyfrustrated (f = 1/2) square lattice Coulomb gas (CG) modeldriven by external electrical fields are studied in the frameworkof the short-time dynamic scaling approach. The criticaltemperature T_c, the static and dynamic critical exponents2β/ν, ν, and z are obtained for several smalldriving fields. The results show that T_c decreases with theincrease of electric field, and 2β/ν and z arestrongly dependent on the external electric field. Interestingly,contrary to the equilibrium case, in the presence of smallelectric field, the calculated exponent ν is close to that inpure 2D Ising model, which provides numerical evidence thatexternal electric field may change the universality class of thef = 1/2 CG system.     

Phase transitions in a driven lattice gas at two temperatures

By suitably combining the uniformly driven lattice gas and the two-temperature kinetic Ising model, we obtain a generalized model that allows us to probe a variety of nonequilibrium phase transitions, including a type not previously observed. This new type of transition involves longitudinally ordered steady states, which are phase-segragated states with interface normalsparallel to the drive. Using computer simulations on a two-dimensional lattice gas, we map out the structure of the phase diagram, and the nature of the transitions, in the three-dimensional space of the drive and the two temperatures. While recovering anticipated results in most cases, we find one surprise, namely, that the transition from disorder to longitudinal order is continuous. Unless it turns out to be very weakly first order, this result is inconsistent with the expectation of field-theoretic renormalization group calculations.     

Power-law falloff in the kosterlitz-Thouless phase of a two-dimensional lattice Coulomb gas

We give a rigorous proof of power-law falloff in the Kosterlitz-Thouless phase of a two-dimensional Coulomb gas in the sense that there exists a critical inverse temperaturegb and a constant >0 such that for all> and all external charges R we have , whereG (x) is the two-point external charges correlation function,=dist(, Z), and for 0$$ " align="middle" border="0"> . In the case of a hard-core or standard Coulomb gas with activityz, we may choose=(z) such that(z)24 asz0.     

Phase separation in a three-dimensional,two-phase,hydrodynamic lattice gas

The dynamics of phase separation is explored using an immiscible 3D lattice-gas model. Scaling laws for the growth rate and power spectraS(k) of the growth patterns are computed. For small wavenumbersS(k) shows a crossover fromk ² tok ⁴ behavior. The theoretical prediction for the asymptotic domain growthRt ^2/3 is supported by our results. We discuss the possibility to observe an intermediatet scaling. We show the influence of hydrodynamic forces in symmetric and asymmetric mixtures by comparing simulations with and without momentum conservation. The structure functionS(k) is not significantly modified by hydrodynamics, but the growth rate changes clearly. As a general result, it is shown that, in spite of the unusual thermodynamics of this model, many characteristics of the growth dynamics are surprisingly in agreement with the classical theoretical and experimental results.     

Vibrational spectroscopy of alkaline tungsten oxyfluoride crystals: structure,lattice dynamics,ordering processes,and phase transitions

Raman scattering (RS) and infrared absorption (IR) of ammonium oxyfluoride crystals (NH₄)₃WO₃F₃, (NH₄)₂KWO₃F₃, and Cs₂(NH₄)WO₃F₃are compared. Conformation of the WO₃F₃ octahedral groups has been established; anomalies have been found close to the transition temperatures in the internal vibrational regions of ammonium and WO₃F₃ groups. The phase transition in (NH₄)₃WO₃F₃ is associated mostly with the ordering of octahedral groups and formation of W O···H N hydrogen bonds. In (NH₄)₂KWO₃F₃ crystal, the transition is not related to the ordering processes; Cs₂(NH₄)WO₃F₃ retains its disordered structure down to 10 K. Copyright © 2010 John Wiley & Sons, Ltd.     

Phase transitions in a driven lattice gas in two planes

We report on a Monte Carlo study of ordering in a nonequilibrium system. The system is a lattice gas that comprises two equal, parallel square lattices with stochastic particle-conserving irreversible dynamics. The particles are driven along a principal direction under the competition of the heat bath and a large, constant external electric field. There is attraction only between particles on nearest-neighbor sites within the same lattice. Particles may jump from one plane to the other; therefore, density fluctuations have an extra mechanism to decay and build up. It helps to obtain the steady-state accurately. Spatial correlations decay with distance according to a power law at high enough temperature, as for the ordinary two-dimensional case. We find two kinds of nonequilibrium phase transitions. The first one has a critical point for half occupation of the lattice, and seems to be related to the anisotropic phase transition reported before for the plane. This transition becomes discontinuous for low enough density. The difference of density between the planes changes discontinuously for any density at a lower temperature. This seems to correspond to a phase transition that does not have a counterpart in equilibrium nor in the two-dimensional nonequilibrium case.     

Reentrant phase transitions and multicompensation points in the mixed-spin Ising ferrimagnet on a decorated Bethe lattice

A mixed-spin Ising model on a decorated Bethe lattice is rigorously solved by combining the decoration–iteration transformation with the method of exact recursion relations. Exact results for critical lines, compensation temperatures, total and sublattice magnetizations are obtained from a precise mapping relationship with the corresponding spin-1/2 Ising model on a simple (undecorated) Bethe lattice. The effect of next-nearest-neighbour interaction and single-ion anisotropy on magnetic properties of the ferrimagnetic model is investigated in particular. It is shown that the total magnetization may exhibit multicompensation phenomenon and the critical temperature vs. the single-ion anisotropy dependence basically changes with the coordination number of the underlying Bethe lattice. The possibility of observing reentrant phase transitions is related to a high enough coordination number of the underlying Bethe lattice.     

Coarse-graining approach to first-order phase transitions

On an example of a simple spin system with two ground states and no symmetry, we show how to control low-temperature systems near first-order phase transitions by a straightforward renormalization group argument. The method, as opposed to the Pirogov-Sinai approach, also works for complex Hamiltonians.     

Quantum corrections to the thermodynamics and phase transition of a black hole surrounded by a cavity in the extended phase space

In the extended phase space, we investigate the rainbow gravity-corrected thermodynamic phenomena and phase structure of the Schwarzschild black hole surrounded by a spherical cavity. The results show that rainbow gravity has a very significant effect on the thermodynamic phenomena and phase structure of the black hole. It prevents the black hole from total evaporation and leads to a remnant with a limited temperature but no mass. Additionally, we restore the P − V criticality and obtain the critical quantities of the canonical ensemble. When the temperature or pressure is smaller than the critical quantities, the system undergoes two Hawking-Page-like phase transitions and one first-order phase transition, which never occurs in the original case. Remarkably, our findings demonstrate that the thermodynamic behavior and phase transition of the rainbow SC black hole surrounded by a cavity in the extended phase space are analogous to those of the Reissner–Nordström anti-de Sitter black hole. Therefore, rainbow gravity activates the effect of electric charge and cutoff factor in the evolution of the black hole.     

Three-dimensional correlated-fermion phase separation from analysis of the geometric mean of the individual susceptibilities

A quasi-Gaussian approximation scheme is formulated to study the strongly correlated imbalanced Fermions thermodynamics, where the mean-field theory is not applicable. The non-Gaussian correlation effects are understood to be captured by the statistical geometric mean of the individual susceptibilities. In the three-dimensional unitary fermions ground state, a universal nonlinear scaling transformation relates the physical chemical potentials with the individual Fermi kinetic energies. For the partial polarization phase separation to full polarization, the calculated critical polarization ratio is δ _C = [1−(1−ξ)^6/5]/[1+(1−ξ)^6/5] ≐ 0.34. ξ = 4/9 gives the ratio of the symmetric ground state energy density to that of the ideal fermion gas. Supported by the National Natural Science Foundation of China (Grant Nos. 10875050 and 10675052), the Fund of Central China Normal University, and the Foundation of Ministry of Education of China (Grant No. IRT0624)     

Applications of optical activity to studies of phase transitions

This article reviews at an introductory level the physics of optical activity and its recent applications to studies of phase transitions of ferroelectrics. Optical activity is a kind of internal perturbation of the refractive index, and accordingly induces a resonating effect on the eigenstates of the susceptibility. This is the reason why optical activity provides us with unreplaceable information concerning the chirality of the structure and specific bonding nature of constituent atoms. The principles of our high accuracy universal polarimeter (defined as HAUP) method are described, which realized for the first time simultaneous measurements of birefringence, optical activity, and rotation angles of the indicatrices of any crystals, even those belonging to monoclinic and triclinic systems. The utility of the HAUP method is exemplified by our recent experiments. The origin of the occurrence of incommensurate states in some A₂BX₄ crystals was theoretically explained from the fact that they showed optical activity. It is of particular interest that the origin is also resonance of eigenstates of the dynamical matrix. The merits of the HAUP method have been extended to the evaluation of the soliton density in the incommensurate phase, discrimination of the twin mechanism of the ferroelectric domains, and search for the origin of ferroelectricity of Rochelle salt.     

A theoretical study of magnetic phase transitions in ultra-thin films: Application to NiO

Phase diagrams and critical temperatures of projected onto fcc (1 0 0) layers, which is believed to be applicable to first-row transition metal oxides such as VO, MnO and NiO, are obtained from mean field theory and Monte Carlo simulations. Within the regime, J_se > 0, which includes MnO and NiO, both approaches predict bicritical behaviour of the AF₂ and AF₃ antiferromagnetic spin alignments for odd numbers of layers greater than one and monocritical behaviour for even numbers of layers, even when films are described by single values of J_d and J_se. The ferromagnetic alignment, on the other hand, exhibits monocritical behaviour for all thicknesses from the monolayer through to the bulk. For values of (x = J_d/J_se) which are close to those obtained from first principles calculations for NiO and also those derived from measured magnon spectra, estimates of the thickness dependence of the critical temperature from Monte Carlo simulations are similar to that derived from linear polarised X-ray absorption spectra of NiO(1 0 0) ultra-thin films grown epitaxially on MgO(1 0 0) [D. Alders, L.H. Tjeng, F.C. Voogt, T. Hibma, G.A. Sawatzky, J. Vogel, M. Sacchi, S. Iacobucci, Phys. Rev. B 57 (1998) 11623].