Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1599755 | Intermetallics | 2015 | 6 Pages |
Abstract
The site preferences of co-alloying elements (Mo-Ta, Mo-Re, Mo-Cr) in Ni3Al are studied using first-principles calculations, and the effects of these alloying elements on the elastic properties of Ni3Al are evaluated by elastic property calculations. The results show that the Mo-Ta, Mo-Re and Mo-Cr atom pairs all prefer Al-Al sites and the spatial neighbor relation of substitution sites almost has no influence on the site preference results. Furthermore, the Young's modulus of Ni3Al increases much higher by substituting Al-Al sites with co-alloying atoms, among which Mo-Re has the best strengthening effect. The enhanced chemical bondings between alloying atoms and their neighbor host atoms are considered to be the main strengthening mechanism of the alloying elements in Ni3Al.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Wenyue Zhao, Zhimei Sun, Shengkai Gong,