相关论文: Dynamics of Br Electrosorption on Single-Crystal A…
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…
The one-dimensional nonlinear equations for the blood flow motion in distensible vessels are considered using the kinetic approach. It is shown that the Lattice Boltzmann (LB) model for non-ideal gas is asymptotically equivalent to the…
We propose a model for charge density waves in ring shaped crystals, which depicts frustration between intra- and inter-chain couplings coming from cylindrical bending. It is then mapped to a three dimensional uniformly frustrated XY model…
The lattice parameters of MgB2 up to pressures of 8 GPa were determined using high-resolution x-ray powder diffraction in a diamond anvil cell. The bulk modulus, B0, was determined to be 151 +-5 GPa. Both experimental and first-principles…
We present a novel thermodynamically guided, low-noise, time-scale bridging, and pertinently efficient strategy for the dynamic simulation of microscopic models for complex fluids. The systematic coarse-graining method is exemplified for…
We present the phase diagram of a far from equilibrium system, mapped by Monte Carlo simulation. The model is a lattice gas of two species of particles and holes. The two species are biased to hop in opposite directions and interact via…
Discrete particle simulation, a combined approach of computational fluid dynamics and discrete methods such as DEM (Discrete Element Method), DSMC (Direct Simulation Monte Carlo), SPH (Smoothed Particle Hydrodynamics), PIC…
We study Bragg spectroscopy of strongly interacting one dimensional bosons loaded in an optical lattice plus an additional parabolic potential. We calculate the dynamic structure factor by using Monte Carlo simulations for the Bose-Hubbard…
Motivated by recent developments in twisted bilayer graphene moir\'e superlattices, we investigate the effects of electron-electron interactions in a honeycomb lattice with an applied periodic potential using a finite-temperature…
We present a numerical study of the Blume-Capel model with quenched disorder in 3D. The phase diagram is characterized by spin-glass/paramagnet phase transitions of both first and second order in the thermodynamic sense. Numerical…
We report the status of a high-statistics Monte Carlo simulation of non-self-avoiding crystalline surfaces with extrinsic curvature on lattices of size up to $128^2$ nodes. We impose free boundary conditions. The free energy is a gaussian…
It is experimentally observed and theoretically proved that the distance between topmost layers of a metal surface has a contraction. However, well-known potentials such as Lennard-Jones and Morse potentials lead to an expansion of the…
We introduce and implement a Monte Carlo scheme to study the equilibrium statistics of polymers in the globular phase. It is based on a model of "interacting elastic lattice polymers" and allows a sufficiently good sampling of long and…
We present structural studies of V$_{1-x}$Cr$_x$O$_2$ (pure, 0.7% and 2.5% Cr doped) compounds at room temperature in a diamond anvil cell for pressures up to 20 GPa using synchrotron x-ray powder diffraction. All the samples studied show a…
Ionic transport in solid electrolytes can often be approximated as ions performing a sequence of hops between distinct lattice sites. If these hops are uncorrelated, quantitative relationships can be derived that connect microscopic hopping…
The metastable behaviour of two dimensional anisotropic Blume-Capel ferromagnet, under the influence of graded and stepped like variations of magnetic field, has been investigated by extensive Monte Carlo simulation using Metropolis single…
The self-organized Monte Carlo simulations of 2D Ising ferromagnet on the square lattice are performed. The essence of devised simulation method is the artificial dynamics consisting of the single-spin-flip algorithm of Metropolis…
In this paper we extend the Gaussian self-consistent method to permit study of the equilibrium and kinetics of conformational transitions for heteropolymers with any given primary sequence. The kinetic equations earlier derived by us are…
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…
We consider the Constrained-degree percolation model in random environment on the square lattice. In this model, each vertex $v$ has an independent random constraint ${\kappa}_v$ which takes the value $j\in \{0,1,2,3\}$ with probability…