ICAMS / Interdisciplinary Centre for Advanced Materials Simulation
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Two-scale modeling of adsorption processes at structured surfaces

J. Kundin, M. Radke de Cuba, S. Gemming, H. Emmerich.

Physica D: Nonlinear Phenomena, 238, 117–125, (2009)

We present an algorithm for the simulation of vicinal surface growth. It combines a lattice gas anisotropic Ising model with a phase-field model. The molecular behavior of individual adatoms is described by the lattice gas model. The microstructure dynamics on the vicinal surface are calculated using the phase-field method. In this way, adsorption processes on two different length scales can be described: nucleation processes on the terraces (lattice gas model) and step-flow growth (phase field model). The hybrid algorithm that is proposed here, is therefore able to describe an epitaxial layer-by-layer growth controlled by temperature and by deposition rate. This method is faster than kinetic Monte Carlo simulations and can take into account the stochastic processes in a comparable way.

Keyword(s): vicinal surfaces; phase-field model; epitaxial growth; thermodynamic and statistic modeling
DOI: 10.1016/j.physd.2008.10.007
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