Comprehensive understanding of local lattice distortion in dilute and equiatomic FCC alloys

doi:10.1016/j.matchemphys.2022.126928

IMR OpenIR

	Comprehensive understanding of local lattice distortion in dilute and equiatomic FCC alloys
	Liu, Wei 1; Lu, Xiao-Gang 1,2; Hu, Qing-Miao 3
通讯作者	Lu, Xiao-Gang(xglu@t.shu.edu.cn) ; Hu, Qing-Miao(qmhu@imr.ac.cn)
	2023
发表期刊	MATERIALS CHEMISTRY AND PHYSICS
ISSN	0254-0584
卷号	293 页码:11
摘要	Quantifying the local lattice distortion (LLD) and exploring its correlation with material properties are of fundamental importance for the design of high entropy alloys (HEAs). In the present work, we expressed the LLD as the standard deviation of the bond lengths (SDBL). With which, we calculated the LLDs of the face-centered cubic (fcc) alloys, including the dilute and equiatomic binary TM-Co and TM-Ni (TM = transition metal) alloys and the equiatomic CrMnCoNiFe family HEAs by using a first-principles method. For the binary TM-Co and TM-Ni alloys with TM in the same period of the Chemical Element Periodic Table, the LLD and the number of valence electrons of TM exhibit roughly a parabolic relationship with a minimum in the middle of the period. For the HEAs involved in the present work, the composition-LLD-mechanical property relationship was constructed. It is found that the experimental yield strengths increase monotonically with the calculated LLDs, and to pursue a high LLD in the CoNi-based CrMnCoNiFe family alloys, one should increase Cr to an appropriate content and avoid introducing Fe. Furthermore, the influences of the atomic radius, electronegativity, and magnetism on the LLD were elucidated. The present work provides a comprehensive understanding of the LLD in both dilute and equiatomic FCC alloys.
关键词	High -entropy alloys Local lattice distortion Size factor Electronic factor Magnetism
资助者	National Natural Science Foundation of China
DOI	10.1016/j.matchemphys.2022.126928
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[51801119]
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000879334800005
出版者	ELSEVIER SCIENCE SA
引用统计	被引频次：4[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/321006/176581
专题	中国科学院金属研究所
通讯作者	Lu, Xiao-Gang; Hu, Qing-Miao
作者单位	1.Shanghai Univ, Mat Genome Inst, 99 Shangda Rd, Shanghai 200444, Peoples R China 2.Shanghai Univ, Sch Mat Sci & Engn, 99 Shangda Rd, Shanghai 200444, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Titanium Alloy Lab, 72 Wenhua Rd, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Liu, Wei,Lu, Xiao-Gang,Hu, Qing-Miao. Comprehensive understanding of local lattice distortion in dilute and equiatomic FCC alloys[J]. MATERIALS CHEMISTRY AND PHYSICS,2023,293:11.
APA	Liu, Wei,Lu, Xiao-Gang,&Hu, Qing-Miao.(2023).Comprehensive understanding of local lattice distortion in dilute and equiatomic FCC alloys.MATERIALS CHEMISTRY AND PHYSICS,293,11.
MLA	Liu, Wei,et al."Comprehensive understanding of local lattice distortion in dilute and equiatomic FCC alloys".MATERIALS CHEMISTRY AND PHYSICS 293(2023):11.