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Nonequilibrium Interface and Surface Dynamics 2007
Efficient Computation of Strained
Heteroepitaxy Using Kinetic Monte Carlo
CSIC Building (#406),
Seminar Room 4122.
Efficient Computation of Strained Heteroepitaxy
Using Kinetic Monte Carlo
University of Michigan
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.