Monte Carlo Modeling of Thin Film Deposition: Factors that Influence 3D Islands
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.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 15004119
- Report Number(s):
- UCRL-JC-146710; TRN: US201015%%353
- Resource Relation:
- Conference: 2002 International Conference on Computational Nanoscience and Nanotechnology, San Juan, Puerto Rico, Apr 22 - Apr 25, 2002
- Country of Publication:
- United States
- Language:
- English
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