Related papers: Extension of structure integration to magnetic sys…
We propose a new approach, "structure integration", enabling direct evaluation of configurational free energy for large systems. The present approach is based on the statistical information of lattice. Through first-principles-based…
We have substantially extended the high-temperature and low-magnetic-field (and the related low-temperature and high-magnetic-field) bivariate expansions of the free energy for the conventional three-dimensional Ising model and for a…
We present a Monte Carlo simulation technique by which the free energy of disordered systems can be computed directly. It is based on thermodynamic integration. The central idea is to construct an analytically solvable reference system from…
In this paper, we review the physical concepts of the nonequilibrium techniques for the calculation of free energies applied to magnetic systems using Monte Carlo simulations of different nonequilibrium processes. The methodology allows the…
Among lattice configurations of densely packed hard ellipses, Monte Carlo simulations are used to identify the so-called parallel and diagonal lattices as the two favourable states. The free energies of these two states are computed for…
Generative models have advanced significantly in sampling material systems with continuous variables, such as atomistic structures. However, their application to discrete variables, like atom types or spin states, remains underexplored. In…
In a previous work, the n-vicinity method for approximate calculation of the partition function of a spin system was proposed. The equation of state was obtained in the most general form. In the present paper, we analyze the applicability…
The signed loop method is a beautiful way to rigorously study the two-dimensional Ising model with no external field. In this paper, we explore the foundations of the method, including details that have so far been neglected or overlooked…
We present a method for the direct evaluation of the difference between the free energies of two crystalline structures, of different symmetry. The method rests on a Monte Carlo procedure which allows one to sample along a path, through…
The partition functions for two-dimensional nearest neighbour Ising model in a non-zero magnetic field have been derived for finite square lattices with the help of graph theoretical procedures, show-bit algorithm, enumeration of…
We present a Monte Carlo method for the direct evaluation of the difference between the free energies of two crystal structures. The method is built on a lattice-switch transformation that maps a configuration of one structure onto a…
Excess contributions to the free energy due to interfaces occur for many problems encountered in the statistical physics of condensed matter when coexistence between different phases is possible (e.g. wetting phenomena, nucleation, crystal…
The new algorithm of the finite lattice method is applied to generate the high-temperature expansion series of the simple cubic Ising model to $\beta^{50}$ for the free energy, to $\beta^{32}$ for the magnetic susceptibility and to…
The partition function of the square lattice Ising model on the rectangle with open boundary conditions in both directions is calculated exactly for arbitrary system size $L\times M$ and temperature. We start with the dimer method of…
The description of a three-dimensional Ising-like magnet in the presence of an external field in the vicinity of the critical point by the collective variables method is proposed. Using the renormalization group transformations, the scaling…
We obtain the diagonal reflection matrices for a recently introduced family of dilute ${\rm A}_L$ lattice models in which the ${\rm A}_3$ model can be viewed as an Ising model in a magnetic field. We calculate the surface free energy from…
We present an efficient Monte-Carlo method for long-range interacting systems to calculate free energy as a function of an order parameter. In this method, a variant of the Wang-Landau method regarding the order parameter is combined with…
Numerical methods are used to examine the thermodynamic characteristics of the two-dimensional Ising model as a function of the number of spins N. Onsager's solution is generalized to a finite-size lattice, and experimentally validated…
In 2002 Biskup et al. [Europhys. Lett. 60, 21 (2002)] sketched a rigorous proof for the behavior of the 2D Ising lattice gas, at a finite volume and a fixed excess \delta M of particles (spins) above the ambient gas density (spontaneous…
For the 2D Ising model, we analyzed dependences of thermodynamic characteristics on number of spins by means of computer simulations. We compared experimental data obtained using the Fisher-Kasteleyn algorithm on a square lattice with…