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Monte Carlo Simulation of Electrodeposition of Copper: A Multistep Free Energy Calculation

โœ Scribed by Harinipriya, S.; Subramanian, Venkat R.


Book ID
121467696
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
528 KB
Volume
112
Category
Article
ISSN
0022-3654

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A hybrid multiscale kinetic Monte Carlo
โœ Zheming Zheng; Ryan M. Stephens; Richard D. Braatz; Richard C. Alkire; Linda R. ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 756 KB

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 si