title: Monte Carlo Modeling of Thin Film Deposition: Factors that Influence 3D
 Islands
creator: Gilmer, G H
creator: Dalla Torre, J
creator: Baumann, F H
creator: Diaz de la Rubia, T
contributor: United States. Department of Energy.
publisher: Lawrence Livermore National Laboratory
date: 2002-01-04
language: English
description: In this paper we discuss the use of atomistic Monte Carlo
 simulations to predict film microstructure evolution. We discuss physical
 vapor deposition, and are primarily concerned with films that are formed by
 the nucleation and coalescence of 3D islands. Multi-scale modeling is used in
 the sense that information obtained from molecular dynamics and first
 principles calculations provide atomic interaction energies, surface and grain
 boundary properties and diffusion rates for use in the Monte Carlo model. In
 this paper, we discuss some fundamental issues associated with thin film
 formation, together with an assessment of the sensitivity of the film
 morphology to the deposition conditions and materials properties.
subject: Sensitivity
subject: Diffusion
subject: Physical Vapor Deposition
subject: 36
subject: Simulation
subject: Coalescence
subject: Nucleation
subject: Deposition
subject: Microstructure
subject: Morphology
subject: Thin Films
source: 2002 International Conference on Computational Nanoscience and
 Nanotechnology, San Juan, Puerto Rico, Apr 22 - Apr 25, 2002
type: Article
format: PDF-file: 7 pages; size: 10.6 Mbytes
format: Text
identifier: rep-no: UCRL-JC-146710
identifier: grantno: W-7405-ENG-48
identifier: osti: 15004119
identifier: https://digital.library.unt.edu/ark:/67531/metadc1407354/
identifier: ark: ark:/67531/metadc1407354