Solid solution strengthening of high-entropy alloys from first-principles study

doi:10.1016/j.jmst.2021.11.076

IMR OpenIR

	Solid solution strengthening of high-entropy alloys from first-principles study
	Zhang, H. L.1,2; Cai, D. D.1; Sun, X.1; Huang, H.5; Lu, S.6; Wang, Y. Z.3; Hu, Q. M.4; Vitos, L.6; Ding, X. D.1
通讯作者	Zhang, H. L.(hualei@xjtu.edu.cn) ; Ding, X. D.(dingxd@mail.xjtu.edu.cn)
	2022-09-10
发表期刊	JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN	1005-0302
卷号	121 页码:105-116
摘要	Solid solution strengthening (SSS) is one kind of strengthening mechanisms and plays an important role in alloy design, in particular for single-phase alloys including high-entropy alloys (HEAs). The classical Labusch-Nabarro model and its expansions are most widely applicable to treating SSS of solid solution alloys including both conventional alloys (CAs) and HEAs. In this study, the SSS effects in a series of Fe based CAs and HEAs are investigated by using the classical Labusch-Nabarro model and its expansions. The size misfit and shear modulus misfit parameters are derived from first-principles calculations. Based on available experimental data in combination with empirical SSS model, we propose fitting constants (i.e., the ratio between experimental hardness and predicted SSS effect) for these two families of alloys. The predicted host/alloy family-dependent fitting constants can be used to estimate the hardness of these SSS alloys. General agreement between predicted and measured hardness values is satisfactory for both CAs and HEAs, implying that the proposed approach is reliable and successful. (c) 2022 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
关键词	Alloys Solid solution strengthening Hardness Size misfit parameter Shear modulus misfit parameter First-principles calculations
资助者	National Natural Science Foundation of China ; Opening Project of Key Laboratory of Shaanxi Province for Craniofacial Precision Medicine Research, College of Stomatology, Xi'an Jiaotong University ; Innovation Fund of Materials Research of the Chinese Academy of Engineering Physics ; Fund of Key Laboratory of Surface Physics and Chemistry ; US AFOSR
DOI	10.1016/j.jmst.2021.11.076
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[51871175] ; Opening Project of Key Laboratory of Shaanxi Province for Craniofacial Precision Medicine Research, College of Stomatology, Xi'an Jiaotong University[2021LHM-KFKT005] ; Innovation Fund of Materials Research of the Chinese Academy of Engineering Physics[CX201909] ; Fund of Key Laboratory of Surface Physics and Chemistry[XKFZ201902] ; US AFOSR[FA9550-20-1-0015]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000788269200001
出版者	JOURNAL MATER SCI TECHNOL
引用统计	被引频次：23[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/321006/172573
专题	中国科学院金属研究所
通讯作者	Zhang, H. L.; Ding, X. D.
作者单位	1.Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China 2.Xi An Jiao Tong Univ, Coll Stomatol, Key Lab Shaanxi Prov Craniofacial Precis Med Res, Xian 710049, Peoples R China 3.Ohio State Univ, Dept Mat Sci & Engn, 2041 Coll Rd, Columbus, OH 43210 USA 4.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 5.Sci & Technol Surface Phys & Chem Lab, Jiangyou 621908, Peoples R China 6.Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden
推荐引用方式 GB/T 7714	Zhang, H. L.,Cai, D. D.,Sun, X.,et al. Solid solution strengthening of high-entropy alloys from first-principles study[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2022,121:105-116.
APA	Zhang, H. L..,Cai, D. D..,Sun, X..,Huang, H..,Lu, S..,...&Ding, X. D..(2022).Solid solution strengthening of high-entropy alloys from first-principles study.JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,121,105-116.
MLA	Zhang, H. L.,et al."Solid solution strengthening of high-entropy alloys from first-principles study".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 121(2022):105-116.