2008/02/28 by Chi-Hang Lam, Lam, Chi-Hang, M. T. Lung +3
Earth and Planetary Sciences · Engineering · Materials Science · Physics and Astronomy · #Block Copolymer Self-Assembly #Metal and Thin Film Mechanics #cond-mat.mtrl-sci #cond-mat.stat-mech #nanoparticles nucleation surface interactions
paper · pdf · doi:10.48550/arxiv.0802.4133
10 pages, 4 figures, submitted to Proceedings of Barrett Lectures 2007, Journal of Scientific Computing
arxiv created 2008/02/28 · arxiv updated 2009/12/01
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.