A variable charge molecular dynamics stu
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S. Garruchet; O. Politano; P. Arnoux; V. Vignal
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Article
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2010
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Elsevier Science
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English
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The oxidation of nickel single crystals is investigated by using variable charge molecular dynamics. The simulations are performed on three nickel low-index surfaces ((1 0 0), (1 1 0) and (1 1 1)) at temperatures between 300 K and 950 K. The results show that the shape of the oxidation kinetics is i