Related papers: Monte-Carlo Simulations for model bent-core molecu…
We simulate the sintering of particle aggregates due to surface diffusion. As a method we use Kinetic Monte-Carlo simulations in which elasticity can explicitly be taken into account. Therefore it is possible to investigate the shape…
Time-dependent speckle pattern of paraelectric barium titanate observed in a soft x-ray laser pump-probe measurement is theoretically investigated as a correlated optical response to the pump and probe pulses. The scattering probability is…
We use analytical calculations and Monte Carlo simulations to determine the thermal fluctuation spectrum of a membrane patch of a few tens of nanometer in size, whose corners are located at a fixed distance $d$ above a plane rigid surface.…
Using determinantal quantum Monte Carlo, we compute the properties of a lattice model with spin $\frac 1 2$ itinerant electrons tuned through a quantum phase transition to an Ising nematic phase. The nematic fluctuations induce…
We perform Dynamic Monte Carlo simulations to investigate the equilibrium dynamics of hard colloidal cuboids in oblate and prolate nematic liquid crystals. In particular, we characterise the particles' diffusion along the nematic director…
We investigated the nematic to smectic transition undergone by parallel hard spherocylinders in the framework provided by the residual multi-particle entropy (RMPE) formalism. The RMPE is defined as the sum of all contributions to the…
We investigate by means of Monte Carlo simulations the fully connected p-state Potts model for different system sizes in order to see how the static and dynamic properties of a finite model compare with the, exactly known, behavior of the…
In conventional molecular simulation, metastable structures often survive over considerable computational time, resulting in difficulties in simulating equilibrium states. In order to overcome this difficulty, here we propose a newly…
We present Monte Carlo simulations in a modification of the north-or-east-or-front model recently investigated by Berthier and Garrahan [J. Phys. Chem. B 109, 3578 (2005)]. In this coarse-grained model for relaxation in supercooled liquids,…
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…
The results of a detailed histogram Monte-Carlo study of critical-fluctuation effects on the magnetic-field temperature phase diagram associated with the hexagonal Heisenberg antiferromagnet with weak axial anisotropy are reported. The…
While developing nuclear materials, predicting their behavior under long-term irradiation regimes spanning decades poses a significant challenge. We developed a novel Kinetic Monte Carlo (KMC) model to explore the precipitation behavior of…
Molecular dynamics simulations are performed for a finite non-relativistic system of particles with Lennard-Jones potential. We study the effect of liquid-gas mixed phase on particle number fluctuations in coordinate subspace. A metastable…
Three types of surface tensions can be defined for lipid membranes: the internal tension, $\sigma$, conjugated to the real membrane area in the Hamiltonian, the mechanical frame tension, $\tau$, conjugated to the projected area, and the…
The conventional theory of homogeneous and heterogeneous nucleation in a supersaturated vapor is tested by Monte Carlo simulations of the lattice gas (Ising) model with nearest-neighbor attractive interactions on the simple cubic lattice.…
Influence of an external magnetic field on the nematic-isotropic ($N-I$) phase transition in a dispersion model of nematic liquid crystals, where the molecules are either perfectly uniaxial or biaxial (board-like), has been studied by Monte…
We present the results of molecular dynamics simulations of the Gay-Berne model of liquid crystals, supercooled from the nematic phase. We find a glass transition to a metastable phase with nematic order and frozen translational and…
We applied a mean-field approach associated to Monte Carlo simulations in order to study the spin-1 ferromagnetic Blume-Capel model in the square and the linear lattice. This new technique, which we call MFT-MC, determines the molecular…
We propose and use a novel, hybrid Monte Carlo algorithm that combines configurational bias particle swaps with parallel tempering. We use this new method to simulate a standard model of a glass forming binary mixture above and below the…
Dynamic relaxation of the XY model quenched from a high temperature state to the critical temperature or below is investigated with Monte Carlo methods. When a non-zero initial magnetization is given, in the short-time regime of the dynamic…