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One-dimensional model of interacting-step fluctuations on vicinal surfaces:Analytical formulas and kinetic Monte Carlo simulations
One-dimensional model interacting-step fluctuations vicinal surfaces Analytical formulas kinetic Monte Carlo simulations
2015/10/16
We study analytically and numerically a one-dimensional model of interacting line defects steps fluctuating on a vicinal crystal. Our goal is to formulate and validate analytical techniques for appr...
CONNECTION OF KINETIC MONTE CARLO MODEL FOR SURFACES TO ONE-STEP FLOW THEORY IN 1+1 DIMENSIONS
kinetic Monte Carlo Burton–Cabrera–Frank theory low-density approximation near-equilibrium condition master equation maximum principle
2015/10/16
The Burton–Cabrera–Frank (BCF) theory of step flow has been recognized as a valuable tool for describing nanoscale evolution of crystal surfaces. We formally derive a single-step BCF-type model from a...
ERROR ANALYSIS OF COARSE-GRAINED KINETIC MONTE CARLO METHOD
Coarse grain kinetic monte carlo simulation grid the stochastic dynamics structural model
2014/12/25
In this paper we investigate the approximation properties of the coarse-graining procedure applied to kinetic Monte Carlo simulations of lattice stochastic dynamics. We provide both analytical and num...
Diffusion and growth of metal clusters in nanocomposites: a Kinetic Monte Carlo study
metal clusters, bulk and surface diffusion, agglomeration, Kinetic Monte Carlo
2011/9/2
Nobel metals that are deposited on a polymer surface exhibit surface diffusion and diffusion into the bulk. At the same time the metal atoms tend to form clusters because their cohesive energy is abou...