Multi-scale Simulations of Thin-Film Metal Epitaxial Growth

Autor: Borovikov, Valery V.
Jazyk: angličtina
Rok vydání: 2008
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Druh dokumentu: Text
Popis: The main objective of the work presented in this thesis is tocontribute to the understanding of how the growth conditions mayaffect the surface morphology during deposition. In thin filmgrowth physical processes in a very wide range of time and lengthscales are relevant. A set of quite different methods of modelingis required when aiming at a more or less complete realisticpicture of the growth process. Accordingly, both computersimulations/modeling and analytic calculations were employed inour studies of thin film growth. In particular, a hybridmulti-scale model, which combines a kinetic Monte Carlo (KMC) simulationfor the thermal surface diffusion with a Molecular Dynamics (MD)simulation of deposition events, was developed and successfullyemployed to study Cu/Cu(100) growth at a range of substratetemperatures and deposition angles. Predictive capabilities ofthis model allowed us to explain a number of puzzling experimentalobservations.Another accomplishment presented in this thesis isan analytic calculation of the surface current and selected moundangle for the case of epitaxial growth on fcc(111) surface. Theresults of this calculation help to understand the morphologiesobserved experimentally for a wide range of systems and depositionconditions.
Databáze: Networked Digital Library of Theses & Dissertations