Stability of vacancy-oxygen complexes in bulk nickel: Atomistic and ab initio calculations - Zenia, H.; Lounis, K.; Megchiche, E.H.; Mijoule, C. (Computational materials science, 2016)
Keywords: Clusters; Divacancies; Mathematical analysis; Molecular statics; Nickel; Oxidation; Oxygen; Oxygen atoms; ReaxFF; Stability; Vacancies; Vacancies-oxygen complexes; Vacancy clusters; ReaxFF; Vacancy clusters; Nickel; Oxidation; Molecular statics; Vacancies-oxygen complexes