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- W2076156655 abstract "We present an approximate off-lattice kinetic Monte Carlo (KMC) method for simulating heteroepitaxial growth. The model aims to retain the speed and simplicity of lattice based KMC methods while capturing essential features that can arise in an off-lattice setting. Interactions between atoms are defined by an interatomic potential which determines the arrangement of the atoms. In this formulation we assign rates for configuration changes that are keyed to individual surface atoms in a fashion similar to bond-counting schemes. The method is validated by simulations of heteroepitaxial growth, annealing of strained bilayer systems, and a qualitative verification of Stoney's formula. The algorithm captures the effects of misfit on the growth modes, anticorrelation of quantum dots grown on both sides of a substrate, the effects of deposition flux on island size, the formation of edge dislocations to relieve strain, and naturally incorporates intermixing." @default.
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- W2076156655 date "2014-01-01" @default.
- W2076156655 modified "2023-09-26" @default.
- W2076156655 title "Approximating Off-Lattice Kinetic Monte Carlo" @default.
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- W2076156655 doi "https://doi.org/10.1137/130927528" @default.
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