Journal
JOURNAL OF COMPUTATIONAL PHYSICS
Volume 227, Issue 10, Pages 5184-5199Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcp.2008.01.056
Keywords
multiscale simulation; kinetic Monte Carlo; stochastic simulation algorithm; copper electrodeposition
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A hybrid multiscale kinetic Monte Carlo (HMKMC) method for speeding up the simulation of copper electrodeposition is presented. The fast diffusion events are simulated deterministically with a heterogeneous diffusion model which considers site-blocking effects of additives. Chemical reactions are simulated by an accelerated (tau-leaping) method for discrete stochastic simulation which adaptively selects exact discrete stochastic simulation for the appropriate reaction whenever that is necessary. The HMKMC method is seen to be accurate and highly efficient. (C) 2008 Elsevier Inc. All rights reserved.
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