Two-Scale Modeling of Adsorption Processes at Structured Surfaces


Two-Scale Modeling of Adsorption Processes at Structured Surfaces

de Cuba, M. R.; Kundin, J.; Emmerich, H.; Gemming, S.

We present a hybrid algorithm for the simulation of vicinal surface growth which combines a lattice gas Ising model with a phase-field model. The molecular behavior of individual adatoms is resolved by the kinetic Monte-Carlo (KMC) generated dynamics of the anisotropic Ising model. The microstructure dynamics on the vicinal surface are calculated using the phase-field method. Therefore adsorption processes on two different scales are described. In addition to step-flow growth the hybrid algorithm describes nucleation processes on the terraces which lead to an epitaxial layer-by-layer growth controlled by temperature and by deposition rate. The method is faster than pure KMC simulation and can take into account the stochastic processes in a comparable way.

Keywords: hybdir model; phase-field; Monte Carlo; vicinal surface

Permalink: https://www.hzdr.de/publications/Publ-10495
Publ.-Id: 10495