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Two-scale modeling of adsorption processes at structured surfaces
Authors:Julia Kundin  Maria Radke de Cuba  Heike Emmerich
Institution:a Computational Materials Engineering (CME), Institute for Minerals Engineering, Center for Computational Engineering Science, Jülich-Aachen Research Alliance, RWTH Aachen University, DE-52056 Aachen, Germany
b Forschungszentrum Dresden-Rossendorf, Bautzner Landstrasse 128, DE-01328 Dresden, Germany
Abstract: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.
Keywords:68  35  Fx  68  55  Ac  81  65  Cf
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