Authors: G. Gilmer, J. Dalla Torre, F.H. Baumann and T. Diaz de la Rubia
Affilation: Lawrence Livermore National Laboratory, United States
Pages: 166 - 168
Keywords: ionized physical vapor deposition, island coalescence, nanocluster arrays
In this paper we discuss the use of atomistic Monte Carlo simulations to predict fim microstructure evolution. We discuss physical vapor deposition, and are primarily concerned with films that are formed by the nucleation and coalescence of 3D islands. Multi-scale modeling is used in the sense that information obtained from molecular dynamics  and first principles calculations  provide atomic interaction energies, surface and grain boundary properties and diffusion rates for use in the Monte Carlo model. In this paper, we discuss some fundamental issues associated with thin film formation, together with an assessment of the sensitivity of the film morphology to the deposition conditions and materials properties.