Get 20M+ Full-Text Papers For Less Than $1.50/day. Start a 14-Day Trial for You or Your Team.

Learn More →

Development of a Versatile Kinetic Monte Carlo Code to Simulate Physical Processes in Thin Film Nucleation and Growth

Development of a Versatile Kinetic Monte Carlo Code to Simulate Physical Processes in Thin Film... Thin film development and nanoscale oxidation studies have been of great interest recent years. Nucleation rate theory(1‐3) has been successfully used to describe metal heteroepitaxy (4) and qualitatively explained the initial stage of oxidation behavior(5). To further quantitative understanding of these nano‐scale processes and the morphology evolution in general gas‐metal reactions and thin film development, a powerful simulation tool is urgently needed. The Thin Film Oxidation (TFOx) model is an atomistic Kinetic Monte Carlo (KMC) model, which has been developed of this purpose. The TFOx model includes all of the relevant microscopic processes in thin film growth. It simulates various steps and phenomenon during thin film development, which includes deposition, decomposition, adatom diffusion, nucleation, adatom desorption, island growth and et.al. TFOx has a large amount of input parameters compared to other KMC models to assure the realistic and accuracy, which also makes itself a versatile tool of studying the thin film development. Some application of TFOx in simulating the Cu (100) oxidation behavior will also be discussed in this paper. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Multidiscipline Modeling in Materials and Structures Emerald Publishing

Development of a Versatile Kinetic Monte Carlo Code to Simulate Physical Processes in Thin Film Nucleation and Growth

Loading next page...
 
/lp/emerald-publishing/development-of-a-versatile-kinetic-monte-carlo-code-to-simulate-07r0BR53Np

References (5)

Publisher
Emerald Publishing
Copyright
Copyright © 2007 Emerald Group Publishing Limited. All rights reserved.
ISSN
1573-6105
DOI
10.1163/157361107781360068
Publisher site
See Article on Publisher Site

Abstract

Thin film development and nanoscale oxidation studies have been of great interest recent years. Nucleation rate theory(1‐3) has been successfully used to describe metal heteroepitaxy (4) and qualitatively explained the initial stage of oxidation behavior(5). To further quantitative understanding of these nano‐scale processes and the morphology evolution in general gas‐metal reactions and thin film development, a powerful simulation tool is urgently needed. The Thin Film Oxidation (TFOx) model is an atomistic Kinetic Monte Carlo (KMC) model, which has been developed of this purpose. The TFOx model includes all of the relevant microscopic processes in thin film growth. It simulates various steps and phenomenon during thin film development, which includes deposition, decomposition, adatom diffusion, nucleation, adatom desorption, island growth and et.al. TFOx has a large amount of input parameters compared to other KMC models to assure the realistic and accuracy, which also makes itself a versatile tool of studying the thin film development. Some application of TFOx in simulating the Cu (100) oxidation behavior will also be discussed in this paper.

Journal

Multidiscipline Modeling in Materials and StructuresEmerald Publishing

Published: Jan 1, 2007

Keywords: Kinetic Monte Carlo; KMC, simulation; Nanoscale oxidation; Thin film; Island density; Island morphology

There are no references for this article.