The formation and migration of the vacancies in HCP metal Mg |
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| Authors: | Jian-Min Zhang Hua-Zhi Yu Ke-Wei Xu Yan Zhang Vincent Ji |
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| Institution: | 1. College of Physics and Information Technology, Shaanxi Normal University , Xian, 710062, Shaanxi, People's Republic of China jianm_zhang@yahoo.com;3. College of Physics and Information Technology, Shaanxi Normal University , Xian, 710062, Shaanxi, People's Republic of China;4. State Key Laboratory for Mechanical Behavior of Materials , Xian Jiaotong University , Xian, 710049, Shaanxi, People's Republic of China;5. ICMMO/LEMHE UMR, CNRS 8182 , Université de Paris-Sud 11 , 91405, Orsay Cedex, France |
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| Abstract: | The formation and migration energies of the mono- and di-vacancy in Mg crystal have been calculated using the modified analytical embedded atom method. The results show that, for mono-vacancy, the migration in the basal plane is slightly preferred to the migration out of the basal plane. For di-vacancy, the 1NN and 2NN configurations are not only easier to form but also more stable than the other configurations. The preferred migration mechanisms of the 1NN and 2NN di-vacancy are either invariable 1NN or 2NN configurations during migration in the basal plane or exchange 1NN for 2NN or 2NN for 1NN for migration out of the basal plane. These two-jump migration mechanisms of the di-vacancy, especially the former, are still preferred over the migration of the mono-vacancy. It is concluded that the greater the number of resting vicinity vacancies, the easier the migrating vacancy moves. |
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| Keywords: | Mg vacancy migration MAEAM HCP |
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