Concurrent Multiscale Kinetic Monte Carlo-Continuum Models for the Evolution of Solids via Diffusion |
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| Journal | Solid State Phenomena (Volume 129) |
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| 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 |
| Citation | Simon P.A. Gill et al., 2007, Solid State Phenomena, 129, 19 |
| Online since | November, 2007 |
| Authors | Simon P.A. Gill, Paul E. Spencer |
| Keywords | Concurrent, Hybrid, Kinetic Monte Carlo, Multi-Scale, 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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