| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7962169 | Computational Materials Science | 2012 | 6 Pages |
Abstract
⺠Grain boundary co-segregation of Ni and S atoms in iron make brittle experimentally. ⺠The phenomenon is reproduced by first-principles calculation. ⺠The cohesive energy of grain boundary is reduced by Ni addition. ⺠The embrittlement comes from the occupation of anti-bonding states between S atoms.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Hideaki Sawada,