Theoretical investigations of the vapour-liquid equilibrium and dielectric properties of dipolar Yukawa fluids in an external field

In a low field approximation, using the dipolar Yukawa fluid model (in mean spherical approximation as a reference system) a consistent field-dependent free energy expression is proposed for the calculation of the vapour-liquid equilibrium of polar fluids in an applied electric field. A perturbation theory high field approximation expression of the free energy is also proposed to study the field-dependent properties of fluids. In the high field approximation, equations for the field-dependent polarization and for the nonlinear dielectric constant (or Piekara constant) are also predicted. It has been discussed that our approximations are appropriate to describe the vapour-liquid-like phase equilibria and the magnetization curves of magnetic fluids.     

Two-sided bounds on the free energy from local states in Monte Carlo simulations

We show that a precise assessment of free energy estimates in Monte Carlo simulations of lattice models is possible by using cluster variation approximations in conjunction with the local states approximations proposed by Meirovitch. The local states method (LSM) utilizes entropy expressions which recently have been shown to correspond to a converging sequence of upper bounds on the thermodynamic limit entropy density (i.e., entropy per lattice site), whereas the cluster variation method (CVM) supplies formulas that in some cases have been proven to be, and in other cases are believed to be, lower bounds. We have investigated CVM-LSM combinations numerically in Monte Carlo simulations of the two-dimensional Ising model and the two-dimensional five-states ferromagnetic Potts model. Even in the critical region the combination of upper and lower bounds enables an accurate and reliable estimation of the free energy from data of a single run. CVM entropy approximations are therefore useful in Monte Carlo simulation studies and in establishing the reliability of results from local states methods.     

Exact and approximate solutions for the dilute Ising model

The ground state energy and entropy of the dilute mean field Ising model is computed exactly by a single order parameter as a function of the dilution coefficient. An analogous exact solution is obtained in the presence of a magnetic field with random locations. Results lead to a complete understanding of the geography of the associated random graph. In particular, we give the size of the giant component (continent) and the number of isolated clusters of connected spins of all given size (islands). We also compute the average number of bonds per spin in the continent and in the islands. Then, we tackle the problem of solving the dilute Ising model at strictly positive temperature. In order to obtain the free energy as a function of the dilution coefficient and the temperature, it is necessary to introduce a second order parameter. We are able to find out the exact solution in the paramagnetic region and exactly determine the phase transition line. In the ferromagnetic region we provide a solution in terms of an expansion with respect to the second parameter which can be made as accurate as necessary. All results are reached in the replica frame by a strategy which is not based on multi-overlaps.     

A variational perturbation approximation method in Tsallis non-extensive statistical physics

For the generalized statistical mechanics based on the Tsallis entropy, a variational perturbation approximation method with the principle of minimal sensitivity is developed by calculating the generalized free energy up to the third order in variational perturbation expansion. The approximation up to the first order amounts to a variational approach which covers the variational method developed by E.K. Lenzi, L.C. Malacarne, R.S. Mendes [Phys. Rev. Lett. 80 (1998) 218] and the approximations up to higher orders can systematically improve variational results. As an illustrated example, the generalized free energy for a classical harmonic oscillator (considered in the Lenzi's joint work) are calculated up to the third order, and the resultant approximations up to the first, second, and third orders are numerically compared with the exact result.     

Theory of the successive phase transitions in KNbO3

The microscopic mechanism of the successive cubic-tetragonal-orthorhombic-rhombohedral phase transitions in KNbO₃ is discussed quantitatively from the microscopic free energy based upon the mean field approximation where the Nb ions are displaced to create spontaneous deformations. From the calculation of the microscopic free energy, it is shown that the order of the phase transitions and the experimental values of the transition entropy in KNbO₃ are well explained by this model.     

Sine-Gordon Theory for the Equation of State of Classical Hard-Core Coulomb Systems. III. Loopwise Expansion

We present an exact field theoretical representation of an ionic solution made of charged hard spheres. The action of the field theory is obtained by performing a Hubbard–Stratonovich transform of the configurational Boltzmann factor. It is shown that the Stillinger–Lovett sum rules are satisfied if and only if all the field correlation functions are short range functions. The mean field, Gaussian and two-loops approximations of the theory are derived and discussed. The mean field approximation for the free energy constitutes an exact lower bound for the exact free energy, while the mean field pressure is an exact upper bound. The one-loop order approximation is shown to be identical with the random phase approximation of the theory of liquids. Finally, at the two-loop order and in the pecular case of the restricted primitive model, one recovers results obtained in the framework of the mode expansion theory.     

Thermodynamic States of the Mixed Spin 1/2 and Spin 1 Hexagonal Nanowire System Obtained from a Seven-Site Cluster Within an Improved Mean Field Approximation

The mean field approximation results in the mixedspin 1/2 Ising model and spin 1 Blume-Capel model, in the hexagonal nanowire system, are obtained from the Bogoliubov inequality. The Gibbs free energy, magnetization, and critical frontiers are obtained. Besides the stable branches of the order parameters, we obtain the metastable and unstable parts of these curves and also find phase transitions of the metastable branches of the order parameters. The classification of the stable, metastable, and unstable states is made by comparing the free energy values of these states.     

Variational principle for regular and random Ising models on the cactus tree or on the usual lattice in the “cactus approximation”

The distribution functions and the free energy are expressed in terms of the effective fields for the regular and random Ising models of an arbitrary spin S on the generalized cactus tree. The same expressions apply to systems on the usual lattice in the “cactus approximation” in the cluster variation method. For an ensemble of random Ising models of an arbitrary spin S on the generalized cactus tree, the equation for the probability distribution function of the effective fields is set up and the averaged free energy is expressed in terms of the probability distribution. The same expressions apply to the system on the usual lattice in the “cactus approximation”. We discuss the quantities on the usual lattice when the system or the ensemble of random systems has the translational symmetry. Variational properties of the free energy for a system and of the averaged free energy for an ensemble of random systems are noted. The “cactus approximations” are applicable to the Heisenberg model as well as to the Ising model of an arbitrary spin, and to ensembles of random systems of these models.     

Spin compensation temperatures induced by longitudinal fields in a mixed spin-3/2 and spin-5/2 Ising ferrimagnet

I studied the ferrimagnetic Ising model with nearest neighbour interactions for a square lattice and simple cubic one, using mean field theory. The free energy of a mixed spin Ising ferrimagnetic model was calculated from a mean field approximation of the Hamiltonian. By minimizing the free energy, I obtained the equilibrium magnetizations and the compensation temperatures. Clear indications of the single-ion anisotropies on the compensation points of the mixed spin-3/2 and spin-5/2 ferrimagnetic lattices are found. Some interesting behaviors of these systems are obtained depending not only on the values of magnetic anisotropies for both sublattice sites but also on the lattice structure. The longitudinal magnetic fields dependence of the spin compensation temperature is the main focus of research. The possibility of many compensation temperatures is indicated.     

Interfacial free energy of the two-dimensional Ising model from the renormalization group

The interfacial free energy of a two-dimensional Ising model is calculated by using various renormalization group schemes. The results obtained are quantitatively consistent with known exact results. In addition, a general discussion of various drawbacks within different renormalization group approximations is given. The best result are obtained with the 4×4 finite cluster approximation, while the Migdal-Kadanoff approximation seems to be inherently unsuitable for calculation of interfacial properties.     

Interface free energy and transition temperature of the square-lattice Ising antiferromagnet at finite magnetic field

We use a simple method to calculate interface properties of the square-lattice Ising antiferromagnet with nearest neighbour interaction. The method bypasses the more complicated bulk problem by taking into account only interface configurations of spins and allows the inclusion of a finite magnetic field. From this we derive two new results: 1) the interface free energy associated with the coexistence of the two antiferromagnetic phases at finite magnetic field, and 2) the transition temperature as a function of the magnetic field which determines the phase boundary.     

Variational approximations for square lattice models in statistical mechanics

This paper concerns a square lattice, Ising-type model with interactions between the four spins at the corners of each face. These may include nearest and next-nearest-neighbor interactions, and interactions with a magnetic field. Provided the Hamiltonian is symmetric with respect to both row reversal and column reversal, a rapidly convergent sequence of variational approximations is obtained, giving the free energy and other thermodynamic properties. For the usual Ising model, the lowest such approximations are those of Bethe and of Kramers and Wannier. The method provides a new definition of corner transfer matrices.     

An introduced effective-field theory study of spin-1 transverse Ising model with crystal field anisotropy in a longitudinal magnetic field

A spin-1 transverse Ising model with longitudinal crystal field in a longitudinal magnetic field is examined by introducing an effective field approximation (IEFT) which includes the correlations between different spins that emerge when expanding the identities. The effects of the crystal field as well as the transverse and longitudinal magnetic fields on the thermal and magnetic properties of the spin system are discussed in detail. The order parameters, Helmholtz free energy, entropy and specific heat curves are calculated numerically as functions of the temperature and Hamiltonian parameters. A number of interesting phenomena such as reentrant phenomena originating from the temperature, crystal field, transverse and longitudinal magnetic fields have been found.     

Phase boundary of the square-lattice Ising antiferromagnet by real space renormalization group methods

The transition temperature of the square lattice Ising antiferromagnet at finite magnetic field is calculated by three different approximations within the real space renormalization group approach. The most refined approximation is an extension of Kadanoff's potential moving method to a larger cell-size. The results of this approximation are in good agreement with recent Monte Carlo simulations and the Müller-Hartmann/Zittartz conjecture for the phase boundary.     

Analytic Approximations for the Velocity of Field-Driven Ising Interfaces

We present analytic approximations for the field, temperature, and orientation dependences of the interface velocity in a two-dimensional kinetic Ising model in a nonzero field. The model, which has nonconserved order parameter, is useful for ferromagnets, ferroelectrics, and other systems undergoing order–disorder phase transformations driven by a bulk free-energy difference. The solid-on-solid (SOS) approximation for the microscopic surface structure is used to estimate mean spin-class populations, from which the mean interface velocity can be obtained for any specific single-spin-flip dynamic. This linear-response approximation remains accurate for higher temperatures than the single-step and polynuclear growth models, while it reduces to these in the appropriate low-temperature limits. The equilibrium SOS approximation is generalized by mean-field arguments to obtain field-dependent spin-class populations for moving interfaces, and thereby a nonlinear-response approximation for the velocity. The analytic results for the interface velocity and the spin-class populations are compared with Monte Carlo simulations. Excellent agreement is found in a wide range of field, temperature, and interface orientation.     

Thermodynamics of an interfacial fluid membrane

We discuss a closed system of field equations for a semipermeable membrane which has particle and heat exchange with its surroundings. In this case we consider a surface with an arbitrary shape for specific quantities and mechanical properties. A representation of the constitutive equations follows from the principle of material objectivity in space as well as on surfaces. The constitutive equations can be restricted by an entropy principle. We present both the Gibbs equation and the entropy flux. Furthermore, we obtain the surface stress and the chemical potential in terms of the specific free energy of the membrane. Both the heat flux and the particle flux normal to the membrane depend on the mean curvature and the friction between the particle across the membrane. The interaction tangential to the interface is dependent up on gradients of the surface stress as well as the chemical potential of the interface.     

Magnetic fluids in an external field

Within mean field approximation we investigate the phase diagrams of magnetic fluids in presence of a magnetic field. In a finite field the magnetic phase transition is absent, but instead a line of first order liquid-liquid transitions ending in a critical point occurs for a magnetic interaction, which is sufficiently strong. Varying the magnetic field these critical points extend from the tricritical point at H=0 to a critical endpoint. For a fluid with Ising spins we calculate the critical lines and several tricritical exponents analytically. For Heisenberg fluids we obtain the phase diagrams from a numerical solution of the mean field equations of state. Received 20 March 1998     

A Generalization of Mean Field Theory in a Cluster with Many Sites on the Ising Model from the Bogoliubov Inequality: Hexagonal Nanowire and Nanotube

A generalization of mean field theory in a cluster with many sites was obtained for the spin-1/2 Ising model from the Gibbs-Bogoliubov inequality. The expressions for the free energy and the magnetization were obtained. The generalization was applied in a structure of the nanowire and nanotube hexagonal lattices, for clusters of seven sites and six sites, respectively. The results for the magnetization, the free energy, the internal energy, the entropy, the specific heat, and the critical frontiers were obtained. The critical temperature and the compensation temperature in a cylindrical Ising nanowire are investigated, in order to clarify the distinction between the ferromagnetic and ferrimagnetic behaviors when the core-shell exchange coupling takes a different sign. The results were compared with other works.     

动态广义球对称含荷黑洞的量子熵

计算了广义球对称含荷黑洞视界上标量场的量子态数和自由能，得到了黑洞熵与视界面积成 正比的结论，表明黑洞熵就是其视界上的量子态的熵．考虑广义不确定原理对黑洞熵的影响 ，采用二维膜模型，克服了brick-wall模型中的发散困难，计算中无须任何截断，且brick- wall模型中的小质量近似也可以避免．对视界外二维膜上的量子场的熵做了级数展开讨论， 得到了一些值得探讨的结论． 关键词： 广义不确定原理 黑洞熵 视界 截断     

Modelling of a displacive transformation in two-dimensional system within four-body approximation of Continuous Displacement Cluster Variation Method

Following our previous study on distorted to non-distorted displacive phase transformation in the two-dimensional square lattice based on the continuous displacement cluster variation method (CDCVM) within the Bragg–Williams (BW) approximation, we performed a higher order approximation, four-body approximation, in the entropy term and compared the results obtained by the two approximations. The transformation temperature decreases with the higher order approximation, which shares the common feature with conventional CVM studies on replacive transformations. The present study predicts the first-order transformation, which is markedly different from the previous study based on the BW approximation. Furthermore, by employing the four-body approximation, we are able to reproduce the o-type distribution of displaced atoms around a Bravais lattice point by changing the atomic interaction energy, which was by no means possible by the BW approximation.