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

We present here a novel multiscale modelling approach to investigate the conditions for atomic cluster self-organization on atomically flat substrates during epitaxial deposition processes. A phase field model is developed for the free energy of the system, which includes short-range as well as long-range elastic interactions between deposited atoms and atom clusters. The effects of externally applied periodic strain fields through the substrate are also 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.