Multiscale Kinetic Monte-Carlo for Simulating Epitaxial Growth
Abstract
We present a fast Monte-Carlo algorithm for simulating epitaxial surface growth, based on the continuous-time Monte-Carlo algorithm of Bortz, Kalos and Lebowitz. When simulating realistic growth regimes, much computational time is consumed by the relatively fast dynamics of the adatoms. Continuum and continuum-discrete hybrid methods have been developed to approach this issue; however in many situations, the density of adatoms is too low to efficiently and accurately simulate as a continuum. To solve the problem of fast adatom dynamics, we allow adatoms to take larger steps, effectively reducing the number of transitions required. We achieve nearly a factor of ten speed up, for growth at moderate temperatures and large D/F.
Cite
@article{arxiv.cond-mat/0504272,
title = {Multiscale Kinetic Monte-Carlo for Simulating Epitaxial Growth},
author = {J. P. DeVita and L. M. Sander and P. Smereka},
journal= {arXiv preprint arXiv:cond-mat/0504272},
year = {2009}
}
Comments
7 pages, 6 figures; revised text, accepted by PRB