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

作　　者：H.L.Zhang D.D.Cai X.Sun H.Huang S.Lu Y.Z.Wang Q.M.Hu L.Vitos X.D.Ding 

机构地区：[1]State Key Laboratory for Mechanical Behavior of Materials,Frontier Institute of Science and Technology,Xi’an Jiaotong University,Xi’an 710049,China [2]Key Laboratory of Shaanxi Province for Craniofacial Precision Medicine Research,College of Stomatology,Xi’an Jiaotong University,Xi’an 710049,China [3]Department of Materials Science and Engineering,The Ohio State University,2041 College Road,Columbus,OH 43210,United States [4]Institute of Metal Research,Chinese Academy of Sciences,Shenyang 110016,China [5]Science and Technology on Surface Physics and Chemistry Laboratory,Jiangyou 621908,China [6]Applied Materials Physics,Department of Materials Science and Engineering,Royal Institute of Technology,Stockholm SE-10044,Sweden

出　　处：《Journal of Materials Science & Technology》2022年第26期105-116,共12页材料科学技术（英文版）

基　　金：The National Natural Science Foundation of China(No.51871175);Opening Project of Key Laboratory of Shaanxi Province for Craniofacial Precision Medicine Research,College of Stomatology,Xi’an Jiaotong University(No.2021LHM-KFKT005);the Innovation Fund of Materials Research of the Chinese Academy of Engineering Physics(No.CX201909);Fund of Key Laboratory of Surface Physics and Chemistry(No.XKFZ201902)are acknowledged for financial support;the financial support of the US AFOSR(No.FA9550-20-1-0015)。

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 Febased 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.

关 键 词：ALLOYS Solid solution strengthening HARDNESS Size misfit parameter Shear modulus misfit parameter First-principles calculations 

分 类 号：TG139[一般工业技术—材料科学与工程]