相关论文: Dynamics of Br Electrosorption on Single-Crystal A…
The hard square lattice gas model on a square lattice is known to undergo a continuous phase transition from a low density fluid-like phase to high density phase with columnar or smectic order. We estimate the critical activity $z_c$ by…
Coherent bremsstrahlung of high energy electrons moving in a three-dimensional imperfect periodic lattice consisting of a complicated system of atoms is considered. On the basis of the normalized probability density function of the…
We have measured the complex surface impedance of 2H-NbSe_2 in the mixed state over a wide range of magnetic field(0-2T) and frequency(10-3000MHz). A crossover between pinned and viscous dynamics of flux-lines is observed at a pinning…
The breaking of a chemical bond is fundamental in most chemical reactions. To understand chemical processes in heterogeneous catalysis or on-surface polymerization the study of bond dissociation in molecules adsorbed on crystalline surfaces…
In this work we present results from NPT(isobaric-isothermal) Monte Carlo Simulation studies of Liquid Crystalline Dendrimer (LCDr) systems confined in a slit-pore made of two parallel flat walls. We investigate the substrate induced…
The study focuses on the 3D electro-hydrodynamic (EHD) instability for flow between to parallel electrodes with unipolar charge injection with and without cross-flow. Lattice Boltzmann Method (LBM) with two-relaxation time (TRT) model is…
The breakdown of crystalline order in a disordered background connects to some of the most challenging problems in condensed matter physics. For a superconducting vortex lattice, the equilibrium state in the presence of impurities is…
A lattice gas model of adsorption inside cylindrical pores is evaluated with Monte Carlo simulations. The model incorporates two kinds of site: (a line of) ``axial'' sites and surrounding ``cylindrical shell'' sites, in ratio 1:7. The…
We report the equilibrium vortex phase diagram of a rotating two-band Fermi gas confined to a cylindrically symmetric parabolic trapping potential, using the recently developed finite-temperature effective field theory [Phys. Rev. A…
We present a lattice Monte Carlo algorithm based on the one originally proposed by Maggs and Rossetto for simulating electrostatic interactions in inhomogeneous dielectric media. The original algorithm is known to produce attractive…
Using extensive Monte Carlo simulations, we investigate the surface adsorption of self-avoiding trails on the triangular lattice with two- and three-body on-site monomer-monomer interactions. In the parameter space of two-body, three-body,…
Polymer chains undergoing a continuous adsorption-desorption transition are studied through extensive computer simulations. A three-dimensional self-avoiding walk lattice model of a polymer chain grafted onto a surface has been treated for…
We study, using simulations the dynamical properties of complex ferromagnetic granular materials. The system of grains is modeled by a disordered two-dimensional lattice in which the grains are embedded, while the magnitude and direction of…
We obtain, using extensive Monte Carlo simulations, virial expansion and a high-density perturbation expansion about the fully packed monodispersed phase, the phase diagram of a system of bidispersed hard rods on a square lattice. We show…
Phase diagram of vortex states of high-$T_{\rm c}$ superconductors with {\it sparse and weak} columnar defects is obtained by large-scale Monte Carlo simulations of the three-dimensional anisotropic, frustrated XY model. The Bragg-Bose…
We report diffusion Monte Carlo (DMC) calculations on MgO in the rock-salt and CsCl structures. The calculations are based on Hartree-Fock pseudopotentials, with the single-particle orbitals entering the correlated wave function being…
We study some aspects of a Monte Carlo method invented by Maggs and Rossetto for simulating systems of charged particles. It has the feature that the discretized electric field is updated locally when charges move. Results of simulations of…
The Dynamic Monte Carlo (DMC) method is an established molecular simulation technique for the analysis of the dynamics in colloidal suspensions. An excellent alternative to Brownian Dynamics or Molecular Dynamics simulation, DMC is…
We introduce a complete physical model for the single-particle electronic structure of twisted bilayer graphene (tBLG), which incorporates the crucial role of lattice relaxation. Our model, based on $k \cdot p$ perturbation theory, combines…
The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion (SALR) potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk.…