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