Design and optimization of the composition and mechanical properties for non-equiatomic CoCrNi medium-entropy alloys

doi:10.1016/j.jmst.2022.07.031

IMR OpenIR

	Design and optimization of the composition and mechanical properties for non-equiatomic CoCrNi medium-entropy alloys
	Yan, J. X.1,2,3; Zhang, Z. J.1; Zhang, P.1; Liu, J. H.1,3; Yu, H.1,4,5; Hu, Q. M.1,3; Yang, J. B.1,3; Zhang, Z. F.1,3
通讯作者	Hu, Q. M.(qmhu@imr.ac.cn) ; Yang, J. B.(jbyang@imr.ac.cn) ; Zhang, Z. F.(zhfzhang@imr.ac.cn)
	2023-03-10
发表期刊	JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN	1005-0302
卷号	139 页码:232-244
摘要	The development of multi-principal element alloys (MPEAs, also called as high-or medium-entropy al-loys, HEAs/MEAs) provides tremendous possibilities for materials innovation. However, designing MPEAs with desirable mechanical properties confronts great challenges due to their vast composition space. In this work, we provide an essential criterion to efficiently screen the CoCrNi MEAs with outstanding strength-ductility combinations. The negative Gibbs free energy difference Delta EFCC-BCC between the face-centered cubic (FCC) and body-centered cubic (BCC) phases, the enhancement of shear modulus G and the decline of stacking fault energy (SFE) gamma isf are combined as three requisites to improve the FCC phase stability, yield strength, deformation mechanisms, work-hardening ability and ductility in the criterion. The effects of chemical composition on AEFCC-BCC, G and gamma isf were investigated with the first principles calculations for CoxCr33Ni67-x, Co33CryNi67-y and CozCr66-zNi34 (0 < x, y < 67 and 0 < z < 66) alloys. Based on the essential criterion and the calculation results, the composition space that displays the neg-ative Gibbs free energy difference AEFCC-BCC, highest shear modulus G and lowest SFE gamma isf was screened with the target on the combination of high strength and excellent ductility. In this context, the optimal composition space of Co-Cr-Ni alloys was predicted as 60 at.%-67 at.% Co, 30 at.%-35 at.% Cr and 0 at.%-6 at.% Ni, which coincides well with the previous experimental evidence for Co55Cr40Ni5 alloys. The valid-ity of essential criterion is further proved after systematic comparison with numerous experimental data, which demonstrates that the essential criterion can provide significant guidance for the quick exploitation of strong and ductile MEAs and promote the development and application of MPEAs.(c) 2023 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
关键词	Medium-entropy alloys First-principles calculations Phase stability Stacking-fault energy Strength Ductility
资助者	Na- tional Natural Science Foundation of China (NSFC) ; Youth Innova- tion Promotion Association CAS ; KC Wong Education Foundation
DOI	10.1016/j.jmst.2022.07.031
收录类别	SCI
语种	英语
资助项目	Na- tional Natural Science Foundation of China (NSFC) ; Youth Innova- tion Promotion Association CAS ; KC Wong Education Foundation ; [52130 0 02] ; [52071316] ; [51871223] ; [51771206] ; [51571198] ; [2021192] ; [GJTD-2020-09]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000911058800001
出版者	JOURNAL MATER SCI TECHNOL
引用统计	被引频次：21[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/321006/175405
专题	中国科学院金属研究所
通讯作者	Hu, Q. M.; Yang, J. B.; Zhang, Z. F.
作者单位	1.Chinese Acad Sci, Inst Met Res, Shi changxu Innovat Ctr Adv Mat, Shenyang 110016, Peoples R China 2.Chongqing Jiaotong Univ, Sch Mat Sci & Engn, Chongqing 400074, Peoples R China 3.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 4.Northeastern Univ, Sch Mat Sci & Engn, Shenyang 110819, Peoples R China 5.Shenyang Univ Technol, Sch Informat Sci & Engn, Shenyang 111003, Peoples R China
推荐引用方式 GB/T 7714	Yan, J. X.,Zhang, Z. J.,Zhang, P.,et al. Design and optimization of the composition and mechanical properties for non-equiatomic CoCrNi medium-entropy alloys[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2023,139:232-244.
APA	Yan, J. X..,Zhang, Z. J..,Zhang, P..,Liu, J. H..,Yu, H..,...&Zhang, Z. F..(2023).Design and optimization of the composition and mechanical properties for non-equiatomic CoCrNi medium-entropy alloys.JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,139,232-244.
MLA	Yan, J. X.,et al."Design and optimization of the composition and mechanical properties for non-equiatomic CoCrNi medium-entropy alloys".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 139(2023):232-244.