Multiscale kinetic Monte Carlo algorithm for simulating epitaxial growth

被引:39
作者
DeVita, JP [1 ]
Sander, LM
Smereka, P
机构
[1] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA
[2] Univ Michigan, Dept Math, Ann Arbor, MI 48109 USA
基金
美国国家科学基金会;
关键词
D O I
10.1103/PhysRevB.72.205421
中图分类号
T [工业技术];
学科分类号
08 [工学];
摘要
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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页数:7
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