A contribution of molecular dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition
| Autor: | B. Gottwald, E. Westkämper, A. Gemmler, P. Baumann, S. Sommadossi, P. Klein |
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| Přispěvatelé: | Publica |
| Jazyk: | angličtina |
| Rok vydání: | 2005 |
| Předmět: |
Mesoscopic physics
Materials science Sputtertechnik Cauchy stress tensor coating Nanotechnology Surfaces and Interfaces General Chemistry Sputter deposition engineering.material Condensed Matter Physics Molekulardynamik Surfaces Coatings and Films Stress (mechanics) stress tensor Coating Sputtering Chemical physics Physical vapor deposition Dichte-Funktions-Theorie Materials Chemistry engineering Spannungstensor Layer (electronics) density functional theory |
| Popis: | Usually, the development of sputtered layer systems as well as their manufacturing are characterised by empirical methods. Therefore, a simulation tool based on Molecular Dynamics (MD) for sophisticated engineering of PVD sputter deposition was developed. With this tool it is possible to correlate coating relevant process parameters to resulting coating properties. The existing MD had to be extended: mesoscopic boundary conditions for MD had to be developed in order to describe the substrate and a continuously differentiable atomistic observable for the local stress tensor consistent with thermodynamics had to be formulated. Input parameters for MD simulation are the substrate temperature and the in situ monitored data of the particle flow. Due to this approach more detailed information about the microscopic origin of stress formation and coating morphology is obtained. |
| Databáze: | OpenAIRE |
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