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ISSN: 1543-1649 Print
ISSN: 1940-4352 Online
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DOI: 10.1615/IntJMultCompEng.v3.i2
Pages: 125
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DOI: 10.1615/IntJMultCompEng.v3.i2.80
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Article price - $35.00 |
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Mixed KMC-Continuum Models for the Evolution of Rough Surfaces
Simon P.A. Gill
Department of Engineering, University of Leicester, University Road Leicester, LE1 7RH, United Kingdom
Paul E. Spencer
Department of Engineering, University of Leicester, University Road Leicester, LE1 7RH, United Kingdom
Alan C. E. Cocks
Department of Engineering, University of Leicester, University Road Leicester, LE1 7RH, United Kingdom
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.
pages 239-256
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