Coupling kinetic Monte-Carlo and continuum models with application to epitaxial growth

by: Tim P Schulze, Peter Smereka, Weinan

Journal of Computational Physics, Vol. 189, No. 1. (20 July 2003), pp. 197-211.

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Abstract

We present a hybrid method for simulating epitaxial growth that combines kinetic Monte-Carlo (KMC) simulations with the Burton-Cabrera-Frank model for crystal growth. This involves partitioning the computational domain into KMC regions and regions where we time-step a discretized diffusion equation. Computational speed and accuracy are discussed. We find that the method is significantly faster than KMC while accounting for stochastic fluctuations in a comparable way.

@article{citeulike:2599509, abstract = {We present a hybrid method for simulating epitaxial growth that combines kinetic Monte-Carlo (KMC) simulations with the Burton-Cabrera-Frank model for crystal growth. This involves partitioning the computational domain into KMC regions and regions where we time-step a discretized diffusion equation. Computational speed and accuracy are discussed. We find that the method is significantly faster than KMC while accounting for stochastic fluctuations in a comparable way.}, author = {Schulze, Tim P. and Smereka, Peter and Weinan}, citeulike-article-id = {2599509}, doi = {10.1016/S0021-9991(03)00208-0}, journal = {Journal of Computational Physics}, keywords = {epitaxial\_growth, kmc, multiscale}, month = {July}, number = {1}, pages = {197--211}, posted-at = {2008-03-26 18:58:01}, priority = {2}, title = {Coupling kinetic Monte-Carlo and continuum models with application to epitaxial growth}, url = {http://dx.doi.org/10.1016/S0021-9991(03)00208-0}, volume = {189}, year = {2003} }

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TY - JOUR ID - citeulike:2599509 TI - Coupling kinetic Monte-Carlo and continuum models with application to epitaxial growth JF - Journal of Computational Physics VL - 189 IS - 1 SP - 197 EP - 211 N2 - We present a hybrid method for simulating epitaxial growth that combines kinetic Monte-Carlo (KMC) simulations with the Burton-Cabrera-Frank model for crystal growth. This involves partitioning the computational domain into KMC regions and regions where we time-step a discretized diffusion equation. Computational speed and accuracy are discussed. We find that the method is significantly faster than KMC while accounting for stochastic fluctuations in a comparable way. KW - epitaxial_growth KW - kmc KW - multiscale AU - Schulze, Tim AU - Smereka, Peter AU - Weinan PY - 2003/07/20/ UR - http://dx.doi.org/10.1016/S0021-9991(03)00208-0 ER -

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