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 language | English (US) |
---|---|
Pages (from-to) | 5184-5199 |
Number of pages | 16 |
Journal | Journal of Computational Physics |
Volume | 227 |
Issue number | 10 |
DOIs | |
State | Published - 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