Site preference and elastic properties of ternary alloying additions in B2 YAg alloys by first-principles calculations |
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| Authors: | Yurong Wu Wangyu Hu Longshan Xu |
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| Affiliation: | 1. College of Electromechanical Engineering, Hunan University of Science and Technology, Xiantang 411201, PR China;2. Department of Applied Physics, Hunan University, Changsha 410082, PR China;3. Department of Materials Science and Engineering, Xiamen University of Technology, Xiamen 361024, PR China |
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| Abstract: | First-principles calculations were preformed to study the site preference behavior and elastic properties of 3d (Ti–Cu) transition-metal elements in B2 ductility YAg alloy. In YAg, Ti is found to occupy the Y sublattice whereas V, Cr, Co, Fe, Ni and Cu tend to substitute for Ag sublattice. Due to the addition of 3d transition metals, the lattice parameters of YAg is decreased in the order: V8Ag7V is harder than Y8Ag7Ni. |
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| Keywords: | Ductility YAg alloy Site preference Elastic properties First-principles |
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