Research Activities > Programs > Nonequilibrium Interface and Surface Dynamics 2007

Efficient Computation of Strained Heteroepitaxy Using Kinetic Monte Carlo

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Efficient Computation of Strained Heteroepitaxy Using Kinetic Monte Carlo

Professor Peter Smereka

University of Michigan


Abstract:   Simulation of heteroeptixial growth using kinetic Monte Carlo is computationally challenging due the long range nature of elastic interactions. This talk will address several ideas that we have developed in order improve the efficiency of our algorithms. First, the Fourier-Multigrid method for fast computation of the elastic displacement field will be dicussed. Next, the principle of energy localization will be stated which combined with the expanding box method allows one to accurately compute changes elastic energy using local calculations. A technique for obtaining inexpensive upper bounds on transition rates will be presented. These ideas are combined to allow one simulate heteroeptitaxy using KMC in physically interesting regimes. This is joint work with G. Russo and T. Schulze.
[slides]

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