相关论文: Nonequilibrium free-energy calculation of phase-bo…
Estimating the eigenvalue or energy gap of a Hamiltonian H is vital for studying quantum many-body systems. Particularly, many of the problems in quantum chemistry, condensed matter physics, and nuclear physics investigate the energy gap…
The classical phase-field modeling approaches for multiphase problems represent each phase using a regularized characteristic function, which necessarily introduces a simplex constraint for the phase-field variables. Additionally, the…
We have simulated the three-dimensional Heisenberg model on simple cubic lattices, using the single-cluster Monte Carlo update algorithm. The expected pronounced reduction of critical slowing down at the phase transition is verified. This…
In this paper we numerically research the solutions of the phase field system for the spherically symmetric Stefan-Gibbs-Thomson problem in the case of interaction of the free boundaries. We analyze the effect of the soliton type…
The computational modelling of reactions is simple in theory but can be quite tricky in practice. This article aims at the purpose of providing an assistance to a proper way of describing reactions theoretically and provides rough…
Using functional integral methods, we investigate the non-Abelian Casimir energy in the Curci-Ferrari model, which offers an effective description of the infrared regime of Yang-Mills theory. We consider a 3+1D (resp.\ 2+1D) system of two…
This paper proposes a single-domain dual-reciprocity inclusion-based boundary element method (DR-iBEM) for a three-dimensional fully bonded bi-layered composite embedded with ellipsoidal inhomogeneities under transient/harmonic thermal…
We investigate the density of states (DOS) in an antiferromagnetic spin-system on a square lattice described by the Blume-Capel (BC) model. We use a new and very efficient simulation method, proposed by Wang and Landau, in which we estimate…
The Non-thermal phase transition in high energy collisions is studied in some detail in the framework of random cascade model. The relation between the characteristic parameter $\lambda_q$ of phase transition and the rank $q$ of moment is…
We calculate thermal fluctuation properties: volume-averaged order parameter, Helmholtz free and internal energies, and their variances of a supersaturated disordered phase in the Gibbs canonical ensemble for an asymmetric (third-order…
Free energy calculations in molecular simulations have a variety of applications including determining the strength of molecular processes such as solvation and binding. It has been recently shown that when removing the VDW and Coulomb…
Equilibrium molecular dynamics simulations are used to calculate the thermal conductivity of the one component plasma (OCP) via the Green-Kubo formalism over a broad range of Coulomb coupling strength, $0.1\le\Gamma\le180$. These…
We introduce a diffuse-interface Landau-de Gennes free energy for nematic liquid crystals (NLC) systems, with free boundaries, in three dimensions submerged in isotropic liquid, and a phase field is introduced to model the deformable…
We study a simple model of a nematic liquid crystal made of parallel ellipsoidal particles interacting via a repulsive Gaussian law. After identifying the relevant solid phases of the system through a careful zero-temperature scrutiny of as…
The complexity of the interactions between the constituent granular and liquid phases of a suspension requires an adequate treatment of the constituents themselves. A promising way for numerical simulations of such systems is given by…
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…
A simple, efficient, and accurate method is proposed to map multi-dimensional free energy landscapes. The method combines the temperature-accelerated molecular dynamics (TAMD) proposed in [Maragliano & Vanden-Eijnden, Chem. Phys. Lett. 426,…
Neutral-atom quantum simulators offer a promising approach to the exploration of strongly interacting many-body systems, with applications spanning condensed matter, statistical mechanics, and high-energy physics. Through a combination of…
Couplings of a system to other degrees of freedom (that is, environmental degrees of freedom) lead to energy dissipation when the number of environmental degrees of freedom is large enough. Here we discuss quantal treatments for such energy…
We provide an explicit analytical calculation that shows the asymptotic approach of the one dimensional Caldeira-Leggett model to thermal equilibrium in the high temperature and weak coupling limit. We investigate a free particle and a…