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

Zheming Zheng, Ryan M. Stephens, Richard D. Braatz, Richard C. Alkire, Linda R. Petzold

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish (US)
Pages (from-to)5184-5199
Number of pages16
JournalJournal of Computational Physics
Volume227
Issue number10
DOIs
StatePublished - May 1 2008

Keywords

  • Copper electrodeposition
  • Kinetic Monte Carlo
  • Multiscale simulation
  • Stochastic simulation algorithm

ASJC Scopus subject areas

  • Numerical Analysis
  • Modeling and Simulation
  • Physics and Astronomy (miscellaneous)
  • General Physics and Astronomy
  • Computer Science Applications
  • Computational Mathematics
  • Applied Mathematics

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