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Lattice gas models and kinetic Monte Carlo simulations of epitaxial growth. (English) Zbl 1082.82521

Voigt, Axel (ed.), Multiscale modeling in epitaxial growth. Papers based on the presentation at the workshop, Oberwolfach, Germany, January 18–24, 2004. Basel: Birkhäuser (ISBN 3-7643-7208-7/hbk). ISNM. International Series of Numerical Mathematics 149, 3-18 (2005).
Summary: A brief introduction is given to Kinetic Monte Carlo (KMC) simulations of epitaxial crystal growth. Molecular Beam Epitaxy (MBE) serves as the prototype example for growth far from equilibrium. However, many of the aspects discussed here would carry over to other techniques as well. A variety of approaches to the modeling and simulation of epitaxial growth have been applied. They range from the detailed quantum mechanics treatment of microscopic processes to the coarse grained description in terms of stochastic differential equations or other continuum approaches. Here, the focus is on discrete representations such as lattice gas and Solid-On-Solid (SOS) models. The basic ideas of the corresponding Kinetic Monte Carlo methods are presented. Strengths and weaknesses become apparent in the discussion of several levels of simplification that are possible in this context.
For the entire collection see [Zbl 1078.82001].

MSC:

82C24 Interface problems; diffusion-limited aggregation in time-dependent statistical mechanics
82C80 Numerical methods of time-dependent statistical mechanics (MSC2010)