Nano Science and Technology Institute
Nanotech 2002 Vol. 2
Nanotech 2002 Vol. 2
Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
Chapter 8: Extended-Scale Atomistics

Monte Carlo Modeling of Thin Film Deposition: Factors that influence 3D islands

Authors:G. Gilmer, J. Dalla Torre, F.H. Baumann and T. Diaz de la Rubia
Affilation:Lawrence Livermore National Laboratory, US
Pages:166 - 168
Keywords:ionized physical vapor deposition, island coalescence, nanocluster arrays
Abstract: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 [1] and first principles calculations [2] 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.
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