| Predicting the variation of stacking fault energy for binary Cu alloys by first-principles calculations | |
| Cai, T.1,2; Li, K. Q.2,3; Zhang, Z. J.2; Zhang, P.2; Liu, R.2; Yang, J. B.2,3; Zhang, Z. F.2,3 | |
| Corresponding Author | Zhang, Z. F.(zhfzhang@imr.ac.cn) |
| 2020-09-15 | |
| Source Publication | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
 |
| ISSN | 1005-0302 |
| Volume | 53Pages:61-65 |
| Abstract | The variation of stacking fault energy (SFE) in a number of binary Cu alloys is predicted through considering the Suzuki segregation by the full potential linearly augmented plane wave (FPLAPW) method. The calculated results show that some solute atoms (Mg, Al, Si, Zn, Ga, Ge, Cd, Sn, and Pb), which prefer to form the Suzuki segregation, may decrease the value of SFE; while the others (Ti, Mn, Fe, Ni, Zr, Ag, and Au), which do not cause the Suzuki segregation may not decrease the SFE. Furthermore, it is interesting to find that the former alloying elements are located on the right of Cu group while the latter on the left of Cu group in the periodic table of elements. The intrinsic reasons for the new findings can be traced down to the valences electronic structure of solute and Cu atoms, i.e., the similarity of valence electronic structure between solute and Cu atoms increases the value of SFE, while the difference decreases the value of SFE. (C) 2020 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology. |
| Keyword | Cu-alloy Deformation behavior First-principles calculation Stacking fault energy |
| Funding Organization | National Natural Science Foundation of China ; LiaoNing Revitalization Talents Program |
| DOI | 10.1016/j.jmst.2020.04.027 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Natural Science Foundation of China[51871223] ; National Natural Science Foundation of China[51571198] ; National Natural Science Foundation of China[51790482] ; LiaoNing Revitalization Talents Program[XLYC1808027] |
| WOS Research Area | Materials Science ; Metallurgy & Metallurgical Engineering |
| WOS Subject | Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| WOS ID | WOS:000545308600008 |
| Publisher | JOURNAL MATER SCI TECHNOL |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/139799 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Zhang, Z. F. |
| Affiliation | 1.Xuchang Univ, Coll Adv Mat & Energy, Inst Surface Micro & Nano Mat, Key Lab Micronano Mat Energy Storage & Convers He, Xuchang 461000, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Lab Fatigue & Fracture Mat, Shenyang 110016, Peoples R China 3.Univ Sci & Technol China, Sch Mat Sci & Engn, Hefei 230026, Peoples R China |
| Recommended Citation GB/T 7714 | Cai, T.,Li, K. Q.,Zhang, Z. J.,et al. Predicting the variation of stacking fault energy for binary Cu alloys by first-principles calculations[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2020,53:61-65. |
| APA | Cai, T..,Li, K. Q..,Zhang, Z. J..,Zhang, P..,Liu, R..,...&Zhang, Z. F..(2020).Predicting the variation of stacking fault energy for binary Cu alloys by first-principles calculations.JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,53,61-65. |
| MLA | Cai, T.,et al."Predicting the variation of stacking fault energy for binary Cu alloys by first-principles calculations".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 53(2020):61-65. |
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