Using density functional theory calculations in conjunction with the climbing images nudged elastic band method, we studied the vacancy formation and migration in clean and Re-doped Ni 3 Al. Both the chemical potential of the species and the magnetic effect are considered to determine the vacancy fo
First-principles study of the properties of Ni/Ni3Al interface doped with B or P
โ Scribed by P. Peng; D.W. Zhou; J.S. Liu; R. Yang; Z.Q. Hu
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 483 KB
- Volume
- 416
- Category
- Article
- ISSN
- 0921-5093
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