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A hybrid multiscale kinetic Monte Carlo method for simulation of copper electrodeposition

โœ Scribed by Zheming Zheng; Ryan M. Stephens; Richard D. Braatz; Richard C. Alkire; Linda R. Petzold

Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
756 KB
Volume
227
Category
Article
ISSN
0021-9991

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โœฆ Synopsis

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.

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