Title
Fast Kinetic Monte Carlo Simulation of Strained Heteroepitaxy in Three Dimensions
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.
Year
DOI
Venue
2008
10.1007/s10915-008-9205-9
J. Sci. Comput.
Keywords
Field
DocType
heteroepitaxy · monte carlo simulation · surfaces · thin films,multi-step acceptance-rejection algorithm,associated lattice elasticity problem,spring lattice model,acceptance-rejection algorithm,computational efficiency,fast kinetic monte carlo,atomic hoppings,superparticle surface,surface diffusion,atomic elastic energy,strained heteroepitaxy,accelerated algorithm,statistical mechanics,thin films,materials science,monte carlo simulation,elastic energy,thin film,three dimensions,kinetic monte carlo,lattice model,surfaces
Statistical physics,Monte Carlo method,Mathematical optimization,Lattice (order),Kinetic Monte Carlo,Lattice model (finance),Thin film,Elasticity (economics),Rotation formalisms in three dimensions,Mathematics,Surface diffusion
Journal
Volume
Issue
ISSN
37
1
1573-7691
Citations 
PageRank 
References 
0
0.34
1
Authors
3
Name
Order
Citations
PageRank
Chi-Hang Lam100.34
M. T. Lung200.34
Leonard M. Sander3132.68