The Effect of Vacancies on Grain Boundary Segregation in Ferromagnetic <i>fcc</i> Ni
This work presents a comprehensive and detailed ab initio study of interactions between the tilt Σ5(210) grain boundary (GB), impurities X (X = Al, Si) and vacancies (Va) in ferromagnetic <i>fcc</i> nickel. To obtain reliable results, two methods of structure relaxation were employed: th...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-04-01
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| Series: | Nanomaterials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-4991/10/4/691 |