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Full-Text Articles in Numerical Analysis and Computation
Flexible Memory Allocation In Kinetic Monte Carlo Simulations, Aaron David Craig
Flexible Memory Allocation In Kinetic Monte Carlo Simulations, Aaron David Craig
Masters Theses
We introduce two new algorithms for Kinetic Monte Carlo simulations: the minimal and flexible allocation algorithms. The theory and computational challenges associated with K.M.C. simulations are briefly discussed. We outline the simple cubic, solid-on-solid model of epitaxial growth and analyze four methods for its simulation: the linear search, standard inverted list, minimal allocation, and flexible allocation algorithms. We then implement these algorithms, analyze their performances, and discuss implications of the results.