Predicting the variation of stacking fault energy for binary Cu alloys by first-principles calculations
文献类型：期刊论文
| 作者 | Cai, T.1,2; Li, K. Q.1,3; Zhang, Z. J.1; Zhang, P.1; Liu, R.1; Yang, J. B.1,3; Zhang, Z. F.1,3 |
| 刊名 | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
 |
| 出版日期 | 2020-09-15 |
| 卷号 | 53页码:61-65 |
| ISSN号 | 1005-0302 |
| 关键词 | Cu-alloy Deformation behavior First-principles calculation Stacking fault energy |
| DOI | 10.1016/j.jmst.2020.04.027 |
| 通讯作者 | Zhang, Z. F.(zhfzhang@imr.ac.cn) |
| 英文摘要 | 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. |
| 资助项目 | 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研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| 出版者 | JOURNAL MATER SCI TECHNOL |
| WOS记录号 | WOS:000545308600008 |
| 资助机构 | National Natural Science Foundation of China ; LiaoNing Revitalization Talents Program |
| 源URL | [http://ir.imr.ac.cn/handle/321006/139798]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Zhang, Z. F. |
| 作者单位 | 1.Chinese Acad Sci, Inst Met Res, Lab Fatigue & Fracture Mat, Shenyang 110016, Peoples R China 2.Xuchang Univ, Coll Adv Mat & Energy, Inst Surface Micro & Nano Mat, Key Lab Micronano Mat Energy Storage & Convers He, Xuchang 461000, Peoples R China 3.Univ Sci & Technol China, Sch Mat Sci & Engn, Hefei 230026, Peoples R China |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：金属研究所
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