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

doi:10.1016/j.mtcomm.2022.103319

IMR OpenIR

	Zirconium-enhanced segregation tendency of solutes X and Zr-X co-segregation induced synergistic/antagonistic effects on Ni S5 [001] (210) grain boundary
	Xue, Hongtao 1; Wu, Yaqiao 1; Tang, Fuling 1; Li, Xiuyan 1,2; Lu, Xuefeng 1; Ren, Junqiang 1; Li, Junchen 1
通讯作者	Tang, Fuling(tfl@lut.edu.cn) ; Li, Xiuyan(xyli@imr.ac.cn)
	2022-06-01
发表期刊	MATERIALS TODAY COMMUNICATIONS
卷号	31 页码:9
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 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.
关键词	Co-segregation First-principles calculations Grain boundary fracture strength Grain boundary thermodynamic stability Ni sigma 5 [001](210) symmetrical tilt grain boundary
资助者	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
收录类别	SCI
语种	英语
资助项目	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研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000777803000002
出版者	ELSEVIER
引用统计	被引频次：8[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/172756
专题	中国科学院金属研究所
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
推荐引用方式 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.