Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/30069
Title: Fast kinetic Monte Carlo simulation of strained heteroepitaxy in three dimensions
Authors: Lam, CH 
Lung, MT
Sander, LM
Keywords: Heteroepitaxy
Monte Carlo simulation
Surfaces
Thin films
Issue Date: 2008
Publisher: Springer/Plenum Publishers
Source: Journal of scientific computing, 2008, v. 37, no. 1, p. 73-88 How to cite?
Journal: Journal of Scientific Computing 
Abstract: Accelerated algorithms for simulating the morphological evolution of strained heteroepitaxy based on a ball and spring lattice model in three dimensions are explained. We derive exact Green's function formalisms for boundary values in the associated lattice elasticity problems. The computational efficiency is further enhanced by using a superparticle surface coarsening approximation. Atomic hoppings simulating surface diffusion are sampled using a multi-step acceptance-rejection algorithm. It utilizes quick estimates of the atomic elastic energies from extensively tabulated values modulated by the local strain. A parameter controls the compromise between accuracy and efficiency of the acceptance-rejection algorithm.
URI: http://hdl.handle.net/10397/30069
DOI: 10.1007/s10915-008-9205-9
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