Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni Σ5 [001](210) grain boundary
Xue, Hongtao1; Wu, Yaqiao1; Tang, Fuling1; Li, Xiuyan1,2; Lu, Xuefeng1; Ren, Junqiang1; Li, Junchen1
2022-06
发表期刊Materials Today Communications
卷号31
摘要Manipulating 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 Σ5 [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. © 2022
关键词Alloying elements Binary alloys Calculations Cobalt alloys Copper alloys Fracture Fracture toughness Nickel Nickel alloys Segregation (metallography) Superalloys Tantalum Tantalum alloys Thermodynamic stability Zirconium Co-segregation First principle calculations Grain boundary fracture Grain boundary fracture strength Grain boundary segregation Grain boundary thermodynamic stability Grain-boundaries Ni σ5 [001](210) symmetrical tilt grain boundary Solute interaction Tilt grain boundary
DOI10.1016/j.mtcomm.2022.103319
收录类别EI ; SCIE
语种英语
WOS研究方向Materials Science
WOS类目Materials Science, Multidisciplinary
WOS记录号WOS:000777803000002
出版者Elsevier Ltd
EI入藏号20221011750944
EI主题词Grain boundaries
EI分类号531 Metallurgy and Metallography ; 531.1 Metallurgy ; 531.2 Metallography ; 543.4 Tantalum and Alloys ; 544.2 Copper Alloys ; 548.1 Nickel ; 548.2 Nickel Alloys ; 549.3 Nonferrous Metals and Alloys excluding Alkali and Alkaline Earth Metals ; 641.1 Thermodynamics ; 921 Mathematics ; 951 Materials Science
来源库WOS
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被引频次:3[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符https://ir.lut.edu.cn/handle/2XXMBERH/157993
专题省部共建有色金属先进加工与再利用国家重点实验室
材料科学与工程学院
通讯作者Tang, Fuling; Li, Xiuyan
作者单位1.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
第一作者单位材料科学与工程学院
通讯作者单位材料科学与工程学院
第一作者的第一单位材料科学与工程学院
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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 Σ5 [001](210) grain boundary[J]. Materials Today Communications,2022,31.
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 Σ5 [001](210) grain boundary.Materials Today Communications,31.
MLA Xue, Hongtao,et al."Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni Σ5 [001](210) grain boundary".Materials Today Communications 31(2022).
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