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 Author | Tang, Fuling(tfl@lut.edu.cn) ; Li, Xiuyan(xyli@imr.ac.cn) |
| 2022-06-01 | |
| Source Publication | MATERIALS TODAY COMMUNICATIONS
 |
| Volume | 31Pages:9 |
| Abstract | 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 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. |
| Keyword | Co-segregation
First-principles calculations
Grain boundary fracture strength
Grain boundary thermodynamic stability
Ni sigma 5 [001](210) symmetrical tilt grain boundary |
| Funding Organization | Ministry 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 |
| DOI | 10.1016/j.mtcomm.2022.103319 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | Ministry 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 Area | Materials Science |
| WOS Subject | Materials Science, Multidisciplinary |
| WOS ID | WOS:000777803000002 |
| Publisher | ELSEVIER |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/172756 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Tang, Fuling; Li, Xiuyan |
| Affiliation | 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 |
| 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 |
| 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 |
| 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 |
| Files in This Item: | There are no files associated with this item. | |||||
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment