Multiscale Modeling of Self-Organized Mono-layer Surface Atomic Clusters

Keywords:
multiscale modelling, thin film, adatom clusters

Abstract:
We present here a novel multiscale modeling approach to investigate the conditions for atomic cluster self-organization on atomically flat substrates during epitaxy deposition processes. A phase field model is developed for the free energy of the system, which includes short-range chemical-type as well as long-range elastic-type interactions between deposited atoms and atom clusters. The effects of externally applied periodic strain fields through the substrate are investigated. At very low atomic coverage, a Kinetic Monte Carlo method is used to determine the nucleation conditions for atomic clusters forming on surfaces with periodic strain fields.

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Nanotech 2005 Conference Program Abstract