Fast kinetic Monte Carlo simulation of strained heteroepitaxy in three dimensions

DOI10.1007/S10915-008-9205-9MaRDI QIDQ618405zbMATH OpenOpenAlexFDO

Authors Chi-Hang Lam, M. T. Lung, Leonard M. Sander

Publication date 16 January 2011

Published in Journal of Scientific Computing (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/0802.4133

zbMATH Keywords

heteroepitaxyMonte Carlo simulationsurfacesthin films

Mathematics Subject Classification ID

Monte Carlo methods (65C05)

Abstract: Accelerated algorithms for simulating the morphological evolution of strained heteroeptiaxy 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.

Recommendations

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Cites work

• Computation of strained epitaxial growth in three dimensions by kinetic Monte Carlo
• The stress driven instability in elastic crystals: Mathematical models and physical manifestations
• Thin Film Materials

Cited in

(5)

• Enhanced calculation of eigen-stress field and elastic energy in atomistic interdiffusion of alloys
• Kinetic Monte Carlo simulation of strained heteroepitaxial growth with intermixing
• Computation of strained epitaxial growth in three dimensions by kinetic Monte Carlo
• Off-lattice Kinetic Monte Carlo Simulations of Strained Heteroepitaxial Growth
• An energy localization principle and its application to fast kinetic Monte Carlo simulation of heteroepitaxial growth

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Uses Software

• SERBA

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