A review of solute-point defect interactions in vanadium and its alloys: first-principles modeling and simulation

作     者：Peng-Bo Zhang Ji-Jun Zhao Ting-Ting Zou Rui-Huan Li Peng-Fei Zheng Ji-Ming Chen 

作者机构：School of ScienceDalian Maritime UniversityDalian 116026China Key Laboratory of Materials Modification by LaserIon and Electron Beams(Ministry of Education)Dalian University of TechnologyDalian 116024China Information Science and Technology CollegeDalian Maritime UniversityDalian 116026China Institute of Mold TechnologyChangzhou Vocational Institute of Mechatronic TechnologyChangzhou 213164China Southwestern Institute of PhysicsChengdu 610041China 

出 版 物：《Tungsten》 (钨科技（英文）)

年 卷 期：2021年第3卷第1期

页      面：38-57页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：financially supported by the National MCF Energy R&D Program of China(Grant Nos.2018YFE0308100,and 2018YFE0308105) the National Key Research and Development Program of China(Grant No.2017YFE0301306) the Liaoning Province Natural Science Fund Project of China(Grant No.20180510053) the Fundamental Research Funds for the Central Universities of China(Grant No.3132020178) the National Natural Science Foundation of China(Grant Nos.11847164 and 11905019) 

主　　题：Solute atom Point defect Radiation damage H and He effect Vanadium alloys Density functional theory 

摘      要：Vanadium alloys are the promising first wall and blanket materials for fusion *** amounts of helium(He)and hydrogen(H)impurities are produced inside the materials along with irradiation defects under neutron irradiation,leading to bubble formation and microstructure changes,which will degrade the thermal and mechanical properties of vanadium *** microstructure changes of materials are influenced by the interactions of point defects with solute ***,first-principles calculations are intensively performed to elucidate these interactions,clustering,and dissolution,which can provide valuable information for the design of high-performance anti-irradiation *** paper reviews the recent findings of the interactions of point defects(vacancies,self-interstitial atoms)with substitutional solutes and interstitial solutes(C,O,N,H,and He)as well as their clusters in vanadium and its alloys from first-principles calculations.