Advances in Simulation Tools for Assembly, Crystallization and Microstructure Evolution

Abstract: While continuum, or field-based, models are often most computationally practical for simulating diffusion-aggregation processes, discrete-particle simulation methods, such as molecular dynamics or kinetic Monte Carlo, are important for validating mechanistic assumptions and simplifications. In this presentation, recent advances are presented in the application lattice kinetic Monte Carlo (LKMC) simulations to situations that are broadly relevant to crystal growth and microstructural evolution in bulk crystalline phases.

Advances in Simulation Tools for Assembly, Crystallization and Microstructure Evolution, PRISM (Princeton Institute for the Science and Technology of Materials), Princeton University, Princeton, December 2009.