| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561452 | Computational Materials Science | 2013 | 7 Pages |
Abstract
⺠Al, Mn, Fe, Co atoms prefer to substitute Ni atoms in the 3g sites. ⺠LaNi4.5Mn0.5 alloy has the most stable structure among five systems. ⺠The interactions of Mn, Ni, Co and Ni atoms are stronger than the Ni-Ni interaction. ⺠H atoms mainly go through from the region of La-Ni (2c) atoms into the host alloy. ⺠LaNi4.5Mn0.5 has the best capacity of bounding hydrogen atoms among four systems.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Chuanyu Zhang, Yiliang Liu, Xiaofeng Zhao, Min Yan, Tao Gao,