Concurrent Multiscale Kinetic Monte Carlo-Continuum Models for the Evolution of Solids via Diffusion |
| Journal |
Solid State Phenomena (Volume 129) |
| Volume |
MULTISCALE KINETIC MODELLING OF MATERIALS |
| Edited by |
R. Kozubski, G.E. Murch and P. Zięba |
| Pages |
19-24 |
| DOI |
10.4028/www.scientific.net/SSP.129.19 |
| Online since |
November, 2007 |
| Authors |
Simon P.A. Gill,
Paul E. Spencer
|
| Keywords |
Concurrent, Hybrid, Kinetic Monte Carlo, Multiscale, Surface Diffusion |
| Abstract |
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. |
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