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Atomistic modeling of Zn deposition on the low index faces of Cu |
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| Authors: | Shamus Funk,Jorge E. Garcé s |
| Affiliation: | a Department of Chemistry and Molecular Biology, North Dakota State University, Fargo, ND 58105, USA b Ohio Aerospace Institute, 22800 Cedar Point Road, Cleveland, OH 44142, USA c NASA Glenn Research Center, Mail Stop 23-2, Cleveland, OH 44135, USA d Centro Atómico Bariloche, CNEA, 8400 Bariloche, Argentina |
| Abstract: | The formation process of Zn/Cu surface alloys is investigated using the Bozzolo-Ferrante-Smith (BFS) method for alloys. The effects of the crystallographic orientation on the deposition process, formation of surface alloys as a function of temperature and coverage, Zn surface migration, and interdiffusion in the Cu substrate, are modeled and discussed with atom-by-atom energy analyses and large scale simulations. |
| Keywords: | Adatoms Computer simulations Zinc Copper Surface alloys Surface structure Semi-empirical methods and model calculations |
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