| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1563901 | Computational Materials Science | 2009 | 7 Pages |
Abstract
The sulfur induced embrittlement of nickel Σ 5 (0 1 2), a symmetrical tilt grain boundary, has been studied to understand why and how impurity atoms weaken the grain boundaries of nickel. By using first-principles calculations, the effect of concentration of sulfur has been investigated to comprehend the basic rules on the deterioration of a nickel grain boundary. We have found that the extension of the nickel grain boundary is a result of the repulsion of the segregated and neighboring sulfur atoms.
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Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
H.H. Kart, M. Uludogan, T. Cagin,