Two-scale modeling of adsorption processes at structured surfaces |
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Authors: | Julia Kundin Maria Radke de Cuba Heike Emmerich |
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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 |
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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. |
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Keywords: | 68 35 Fx 68 55 Ac 81 65 Cf |
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