International Journal for Multiscale Computational Engineering
Published 6 issues per year
ISSN Print: 1543-1649
ISSN Online: 1940-4352
IF:
1.4
5-Year IF:
1.3
Immediacy Index:
2.2
Eigenfactor:
0.00034
JCI:
0.46
SJR:
0.333
SNIP:
0.606
CiteScore™::
3.1
H-Index:
31
Indexed in
Mixed KMC-Continuum Models for the Evolution of Rough Surfaces
Volume 3,
Issue 2, 2005,
pp. 239-256
DOI: 10.1615/IntJMultCompEng.v3.i2.80
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.
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