相关论文: The role of three-body interactions in two-dimensi…

Pressure-induced phase transitions of spin-crossover materials were simulated by a Monte Carlo simulation in the constant pressure ensemble for the first time. Here, as the origin of the cooperative interaction, we adopt elastic interaction…

Motivated by a recent adsorption experiment [M.O. Blunt et al., Science 322, 1077 (2008)], we study tilings of the plane with three different types of rhombi. An interaction disfavors pairs of adjacent rhombi of the same type. This is shown…

By simulating the first order globule-crystal transition of a flexible homopolymer chain, both by collision dynamics and Monte Carlo with non-kinetic moves, we show that the effective and the thermodynamic transition temperatures are…

Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a…

We study the thermodynamic phase transition of a spin Hamiltonian comprising two 3D magnetic sublattices. Each sublattice contains XY spins coupled by the usual bilinear exchange, while spins in different sublattices only interact via…

We analyze the hard-core Bose-Hubbard model with both the three-body and nearest neighbor repulsions on the triangular lattice. The phase diagram is achieved by means of the semi-classical approximation and the quantum Monte Carlo…

We study the phase structure of a surface model by using the canonical Monte Carlo simulation technique on triangulated, fixed connectivity, and spherical surfaces with many fine holes. The size of a hole is assumed to be of the order of…

The order-disorder layering transitions, of the Blume-Capel model, are studied using the Monte Carlo (MC) simulations, in the presence of a variable crystal field. For a very low temperature, the results are in good agreement with the…

We study a solution of interacting semiflexible polymers with curvature energy in poor-solvent conditions on the d-dimensional cubic lattice using mean-field theory and Monte Carlo computer simulations. Building upon past studies on a…

The interaction-driven Mott transition in the half-filled Hubbard model is a first-order phase transition that terminates at a critical point $(T_\mathrm{c},U_\mathrm{c})$ in the temperature-interaction plane $T-U$. A number of crossovers…

We investigate the cooperative behavior of regular monolayers of driven two-level dipoles, using classical electrodynamics simulations. The dipolar response results from the interference of many cooperative eigenmodes, each…

Within self-consistent field theory we study the phase behavior of a symmetrical binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A…

The Hartree-Fock approximation to the many-fermion problem can break exact symmetries, and in some cases by changing a parameter in the interaction one can drive the Hartree-Fock minimum from a symmetry-breaking state to a…

We use a one-dimensional random walk on $D$-dimensional hyper-spheres to determine the critical behavior of statistical systems in hyper-spherical geometries. First, we demonstrate the properties of such walk by studying the phase diagram…

Within self-consistent field theory we study the phase behaviour of a symmetric binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A component…

Conformational phases of a semiflexible off-lattice homopolymer model near an attractive substrate are investigated by means of multicanonical computer simulations. In our polymer-substrate model, nonbonded pairs of monomers as well as…

Dynamics of a polymer chain in solution gets significantly affected by the temperature and the frictional forces arising due to solvent viscosity. Here, using an explicit solvent framework for polymer simulation with the liberty to tune the…

We study order-disorder transitions in three-dimensional \textsl{multi-colored} loop models using Monte Carlo simulations. We show that the nature of the transition is intimately related to the nature of the loops. The symmetric loops…

We investigate the melting behavior of two-dimensional colloidal crystals stabilized by a core-softened potential featuring two competing interaction length scales. Using molecular dynamics simulations, we analyze three polymorphic solid…

We consider two-dimensional systems of point particles located on rectangular lattices and interacting via pairwise potentials. The goal of this paper is to investigate the phase transitions (and their nature) at fixed density for the…