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Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni S5 [001] (210) grain boundary

Xue, Hongtao1; Wu, Yaqiao1; Tang, Fuling1; Li, Xiuyan1,2; Lu, Xuefeng1; Ren, Junqiang1; Li, Junchen1
Corresponding AuthorTang, Fuling(tfl@lut.edu.cn) ; Li, Xiuyan(xyli@imr.ac.cn)
2022-06-01
Source PublicationMATERIALS TODAY COMMUNICATIONS
Volume31Pages:9
AbstractManipulating grain boundary (GB) segregation of alloying elements has been established as an important pathway to optimize structural materials, due to the GB segregation induced changes in material properties, whereas solute interaction effects on GB segregation and properties remain far less developed. Here, the effects of solute interactions of Zr with X (X = Zr, Re, Ta and Cu) on the segregation behavior of solutes X at the sigma 5 [001] (210) GB of nickel-based superalloys, GB excess energy and fracture strength were investigated detailedly from first-principles calculations. It was found that the pre-segregation of Zr at the Ni GB not only enhances the segregation ability of subsequent solutes Zr, Ta and Cu, but also induces a GB segregation of Re that prefers grain interiors originally. Zr-Zr/Ta, Zr-Re and Zr-Cu co-segregations have synergistic potentiation, antagonistic and synergistic additive effects on improving the considered GB properties, respectively. Relative to the unsegregated GB, the Zr-Zr/Ta/Re co-segregations could improve the GB stability and fracture strength simultaneously, while the Zr-Cu co-segregation could only improve the GB stability. The co-segregation induced GB stabilizing/destabilizing and strengthening/weakening mechanisms were probed. These results would provide theoretical supports for the GB segregation engineering and quantitative composition design of high-performance nickel based superalloys.
KeywordCo-segregation First-principles calculations Grain boundary fracture strength Grain boundary thermodynamic stability

Ni sigma 5 [001](210) symmetrical tilt grain boundary

Funding OrganizationMinistry of Science and Technology of China (Ministry of Science and Technology of the People's Republic of China) ; Natural Science Fund for Distinguished Young Scholars of Gansu Province of China(Gansu Provincial Department of science and technology) ; State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals (Shenyang National Laboratory of Materials Science) ; Hongliu Excellent Young Talents Support Program of Lanzhou University of Technology ; Shenyang National Laboratory for Materials Science
DOI10.1016/j.mtcomm.2022.103319
Indexed BySCI
Language英语
Funding ProjectMinistry of Science and Technology of China (Ministry of Science and Technology of the People's Republic of China)[2017YFA0700701] ; Natural Science Fund for Distinguished Young Scholars of Gansu Province of China(Gansu Provincial Department of science and technology)[20JR5RA477] ; State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals (Shenyang National Laboratory of Materials Science)[18LHPY003] ; Hongliu Excellent Young Talents Support Program of Lanzhou University of Technology ; Shenyang National Laboratory for Materials Science[18LHPY003]
WOS Research AreaMaterials Science
WOS SubjectMaterials Science, Multidisciplinary
WOS IDWOS:000777803000002
PublisherELSEVIER
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/172756
Collection中国科学院金属研究所
Corresponding AuthorTang, Fuling; Li, Xiuyan
Affiliation1.Lanzhou Univ Technol, Sch Mat Sci & Engn, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China
2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Xue, Hongtao,Wu, Yaqiao,Tang, Fuling,et al.

Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni S5 [001] (210) grain boundary

[J]. MATERIALS TODAY COMMUNICATIONS,2022,31:9.
APA Xue, Hongtao.,Wu, Yaqiao.,Tang, Fuling.,Li, Xiuyan.,Lu, Xuefeng.,...&Li, Junchen.(2022).

Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni S5 [001] (210) grain boundary

.MATERIALS TODAY COMMUNICATIONS,31,9.
MLA Xue, Hongtao,et al."

Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni S5 [001] (210) grain boundary

".MATERIALS TODAY COMMUNICATIONS 31(2022):9.
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