Kinetic Monte Carlo simulations of Ag(111) island coarsening

The results of parallel kinetic Monte Carlo simulations of submonolayer island coarsening on the Ag(111) surface are presented. Our simulations are carried out using a large database of activation barriers which has been generated from previous self-learning kinetic Monte Carlo simulations of small and medium-size clusters. In this database, which includes both single-atom and multi-atom concerted moves, interactions between a central atom and all other adatoms within the first two nearest-neighbor rings are taken into account, while the symmetry of the (111) surface is also used. In order to reach extended time and length-scales we have implemented a novel parallel kinetic Monte Carlo scheme in which processor domains are dynamically assigned in order to minimize boundary events. Preliminary results using an open database corresponding to a true self-learning kinetic Monte Carlo simulation will also be presented.