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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 AuthorZhang, Z. F.(zhfzhang@imr.ac.cn)
2020-09-15
Source PublicationJOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN1005-0302
Volume53Pages:61-65
AbstractThe 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.
KeywordCu-alloy Deformation behavior First-principles calculation Stacking fault energy
Funding OrganizationNational Natural Science Foundation of China ; LiaoNing Revitalization Talents Program
DOI10.1016/j.jmst.2020.04.027
Indexed BySCI
Language英语
Funding ProjectNational 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 AreaMaterials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000545308600008
PublisherJOURNAL MATER SCI TECHNOL
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/139799
Collection中国科学院金属研究所
Corresponding AuthorZhang, Z. F.
Affiliation1.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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