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Title: Mixed KMC/Continuum models for the evolution of rough surfaces
Authors: Gill, S. P. A.
Spencer, P. E.
Cocks, A. C. F.
First Published: 2005
Citation: International Journal of Multiscale Computational Engineering, 2005, 3 (2), pp.239-256
Abstract: An atomistic solid-on-solid (SOS) kinetic Monte Carlo (KMC) model for surface diffusion is found to exhibit curvature-driven decay. An equivalent continuum Mullins-Herring equation is derived and the two systems are shown to be compatible. A mixed KMC-continuum model is proposed that allows discrete atomistic simulations to be embedded within a smooth continuum. A blending region is introduced between the two model descriptions, which allow mass to be transferred between them in a consistent manner. The implementation of this multiscale modeling approach is illustrated with simulations of the decay of a sinusoid and a Gaussian peak.
DOI Link: 10.1615/IntJMultCompEng.v3.i2.80
ISSN: 1543-1649
Type: Article
Appears in Collections:Published Articles, Dept. of Engineering

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