Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field

标题
Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field
作者
关键词
Molecular dynamics, ReaxFF, Vacancy, Diffusion, Oxidation
出版物
ACTA MATERIALIA
Volume 83, Issue -, Pages 102-112
出版商
Elsevier BV
发表日期
2014-10-22
DOI
10.1016/j.actamat.2014.09.047

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