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

Author(s):  
Simon P.A. Gill ◽  
Paul E. Spencer
2012 ◽  
Vol 85 (1) ◽  
Author(s):  
Ariel Balter ◽  
Guang Lin ◽  
Alexandre M. Tartakovsky

2007 ◽  
Vol 129 ◽  
pp. 19-24
Author(s):  
Simon P.A. Gill ◽  
Paul E. Spencer

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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