Multiscale Kinetic Monte-Carlo for Simulating Epitaxial Growth

Details Multiscale Kinetic Monte-Carlo for Simulating Epitaxial Growth Multiscale Kinetic Monte-Carlo for Simulating Epitaxial Growth

2005-04-12

arxiv.org/abs/cond-mat/0504272v2

Physics

Condensed Matter

Materials Science

7 pages, 6 figures; revised text, accepted by PRB

Scientific paper

10.1103/PhysRevB.72.205421

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.

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