Defect properties in a VTaCrW equiatomic high entropy alloy(HEA)with the body centered cubic(bcc)structure

作     者：Shijun Zhao Shijun Zhao

作者机构：Department of Mechanical EngineeringCity University of Hong KongHong KongChina 

出 版 物：《Journal of Materials Science & Technology》 (材料科学技术（英文版）)

年 卷 期：2020年第44卷第9期

页      面：133-139页

核心收录：

学科分类：0817[工学-化学工程与技术] 0806[工学-冶金工程] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0703[理学-化学] 0802[工学-机械工程] 0801[工学-力学（可授工学、理学学位）] 0702[理学-物理学] 

基　　金：This work was supported financially by the Project of the City University of Hong Kong(No.9610425) the Research Grants Council of Hong Kong(No.21200919) 

主　　题：High-entropy alloys Defect properties Radiation tolerance First-principles calculations Lattice distortion 

摘      要：We report first-principles results of the point defect properties in a V-Ta-Cr-W high-entropy alloy(HEA)with the body-centered cubic(bcc)*** from the widely-investigated face-centered cubic(fcc)HEAs,the local lattice distortion is more pronounced in bcc ones,which has a strong influence on the defect properties and defect evolution under *** to the large size of Ta,the exchange between vacancies and Ta exhibits lower energy *** the other hand,interstitial dumbbells containing V and Cr possess lower formation *** defect energetics predicts an enrichment of V and Cr and a depletion of Ta andWin the vicinity of defect ***,we find that interstitial dumbbells favor the[110]orientation in the HEA,instead of[111]direction in most nonmagnetic bcc metals,which helps to slow down interstitial diffusion ***,the distribution of migration energies for vacancies and interstitials exhibit much larger overlap regions in the bcc HEA compared to fcc HEAs,leading to the good irradiation resistance by enhancing defect *** results suggest that HEAs with the bcc structure may bear excellent irradiation tolerance due to the particular defect properties.