Concurrent Multiscale Kinetic Monte Carlo-Continuum Models for the Evolution of Solids via Diffusion

Abstract:

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A kinetic Monte Carlo (KMC) model for surface diffusion on a 2D lattice is proposed. An equivalent continuum cellular automaton (CA) model is derived from this. These models are shown to produce similar results at high temperatures. A hybrid KMC-CA model is derived which consistently allows material to transfer between a deterministic CA model and a stochastic KMC model concurrently embedded within it. The quality of the model is demonstrated by simulating the flattening of a sinusoidal surface profile and the evolution of an elliptical body into a circular one.

Info:

Periodical:

Solid State Phenomena (Volume 129)

Edited by:

R. Kozubski, G.E. Murch and P. Zięba

Pages:

19-24

DOI:

10.4028/www.scientific.net/SSP.129.19

Citation:

S. P.A. Gill and P. E. Spencer, "Concurrent Multiscale Kinetic Monte Carlo-Continuum Models for the Evolution of Solids via Diffusion ", Solid State Phenomena, Vol. 129, pp. 19-24, 2007

Online since:

November 2007

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Price:

$35.00

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