Related papers: Dynamics of surface steps
Monte Carlo methods play important part in modern statistical physics. The application of these methods suffer from two main difficulties.The first is caused by the relatively small number of particles that can participate in any numerical…
Kinetic equations model distributions of particles in position-velocity phase space. Often, one is interested in studying the long-time behavior of particles in high-collisional regimes in which an approximate (advection)-diffusion model…
The liquid-gas transition in free atomic clusters is investigated theoretically based on simple unimolecular rate theories and assuming sequential evaporations. A kinetic Monte Carlo scheme is used to compute the time-dependent properties…
A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…
In this communication we introduce a pair of coupled continuum equations to model overlayer growth with evaporation-accretion due to thermal or mechanical agitations of the substrate. We gain insight into the dynamics of growth via one-loop…
By means of detailed Monte Carlo (MC) simulations, we have presented dynamic phase transition (DPT) properties of ferromagnetic thin-films. Thermal variations of surface, bulk and total dynamical order parameters (DOP) for a film and total…
We investigate energy transport in several two-level atom or spin-1/2 models by a direct coupling to heat baths of different temperatures. The analysis is carried out on the basis of a recently derived quantum master equation which…
The phase diagram of soft spheres with size dispersion has been studied by means of an optimized Monte Carlo algorithm which allows to equilibrate below the kinetic glass transition for all sizes distribution. The system ubiquitously…
Active matter has been intensely studied for its wealth of intriguing properties such as collective motion, motility-induced phase separation (MIPS), and giant fluctuations away from criticality. However, the precise connection of active…
A new Monte Carlo approach is proposed to investigate the fluid-solid phase transition of the polydisperse system. By using the extended ensemble, a reversible path was constructed to link the monodisperse and corresponding polydisperse…
The investigation of freezing transitions of single polymers is computationally demanding, since surface effects dominate the nucleation process. In recent studies we have systematically shown that the freezing properties of flexible,…
We study the evolution of step bunches on vicinal surfaces using a thermodynamically consistent step-flow model that (i) circumvents the quasistatic approximation that prevails in the literature by accounting for the dynamics of adatom…
The simple realistic model of the tippe top is considered. An averaged system of equations of motion is obtained in special evolutionary variables. Through the qualitative analysis of this system the general features of the motion of the…
The path-integral formulation of the statistical mechanics of quantum many-body systems is described, with the purpose of introducing practicaltechniques for the simulation of solids. Monte Carlo and molecular dynamics methods for…
We use Stokesian Dynamics simulations to study the microscopic motion of particles suspended in fluids passing through porous media. We construct model porous media with fixed spherical particles, and allow mobile ones to move through this…
Taking the two-dimensional Ising model for example, short-time behavior of critical dynamics with a conserved order parameter is investigated by Monte Carlo simulations. Scaling behavior is observed, but the dynamic exponent $z$ is updating…
An extrinsic curvature surface model is investigated by Monte Carlo simulations on a disk. We found that the model undergoes a first-order transition separating the smooth phase from the collapsed phase. The results in this paper together…
We consider a thin droplet that spreads over a flat, horizontal and chemically heterogeneous surface. The droplet is subjected to changes in its volume though a prescribed, arbitrary spatiotemporal function, which varies slowly and vanishes…
We couple a free solute diffusion model to a model of crystal surface growth represented by, but not limited to, a (2 + 1)-dimensional solid-on-solid (SOS) model confined by a flat surface. We use kinetic Monte Carlo (KMC) with dissolution…
The Diffusion Monte Carlo method is devoted to the computation of electronic ground-state energies of molecules. In this paper, we focus on implementations of this method which consist in exploring the configuration space with a {\bf fixed}…