International Journal for Multiscale Computational Engineering

ISSN for PRINT: 1543-1649

For Online Access

Best Paper Award Selection - Editorial Board Site

2005, Volume3

Issue 2

125 pages

DOI: 10.1615/IntJMultCompEng.v3.i2

Issue price - $178.00

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

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: 10.1615/IntJMultCompEng.v3.i2.80 Download article, 239-256 pages

Article price - $35.00

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