Fast kinetic Monte Carlo simulation of strained heteroepitaxy in three dimensions

Thumbnail Image

Date

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Description

Accelerated algorithms for simulating the morphological evolution of strained heteroeptiaxy based on a ball and spring lattice model in three dimensions are explained. We derive exact Green's function formalisms for boundary values in the associated lattice elasticity problems. The computational efficiency is further enhanced by using a superparticle surface coarsening approximation. Atomic hoppings simulating surface diffusion are sampled using a multi-step acceptance-rejection algorithm. It utilizes quick estimates of the atomic elastic energies from extensively tabulated values modulated by the local strain. A parameter controls the compromise between accuracy and efficiency of the acceptance-rejection algorithm.
10 pages, 4 figures, submitted to Proceedings of Barrett Lectures 2007, Journal of Scientific Computing

Keywords

Statistical Mechanics, Materials Science

Citation

URI

http://salesiana.dossiersoluciones.com/handle/123456789/155841

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/0802.4133
 http://arxiv.org/abs/0802.4133

Collections

arXiv