First-principles study of diffusion of intrinsic point defects in tungsten borides

被引：0
|
作者：
Yang, L. [1 ]
Wirth, B.D. [1 ,2 ]
机构：
[1] Department of Nuclear Engineering, University of Tennessee, Knoxville,TN,37996, United States
[2] Fusion Energy Division, Oak Ridge National Laboratory, Oak Ridge,TN,37831, United States
来源：
Journal of Nuclear Materials | / 591卷
关键词：
Compilation and indexing terms; Copyright 2025 Elsevier Inc;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Borides - Density functional theory - Diffusion - Point defects - Tungsten
引用
下载
收藏
相关论文
共 50 条
  • [21] First-Principles Study of Intrinsic Defects in Ammonia Borane
    Wang, Jianchuan
    Freysoldt, Christoph
    Du, Yong
    Sun, Lixian
    JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 121 (41): : 22680 - 22689
  • [22] First-Principles Study on Various Point Defects Formed by Hydrogen and Helium Atoms in Tungsten
    Zhao, Qiang
    Zhang, Zheng
    Li, Yang
    Ouyang, Xiaoping
    SCIENCE AND TECHNOLOGY OF NUCLEAR INSTALLATIONS, 2017, 2017
  • [23] A First-Principles Study on Electronic and Magnetic Properties of Intrinsic Point Defects in SrO Crystals
    Sun, Ru-xi
    Liu, Ting-yu
    Shi, Chun-yu
    JOURNAL OF ELECTRONIC MATERIALS, 2022, 51 (06) : 3125 - 3131
  • [24] First-Principles Study of Intrinsic Point Defects and Optical Properties of SmNiO3
    Cui, Yuanyuan
    Ren, Junsong
    Yang, Guang
    Gao, Yanfeng
    JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 125 (01): : 356 - 365
  • [25] A First-Principles Study on Electronic and Magnetic Properties of Intrinsic Point Defects in SrO Crystals
    Ru-xi Sun
    Ting-yu Liu
    Chun-yu Shi
    Journal of Electronic Materials, 2022, 51 : 3125 - 3131
  • [26] Interactions between Er dopant and intrinsic point defects of ZnO: a first-principles study
    Meng, Zhisen
    Mo, Xiaoming
    Cheng, Xi
    Zhou, Yulu
    Tao, Xiaoma
    Ouyang, Yifang
    MATERIALS RESEARCH EXPRESS, 2017, 4 (03)
  • [27] First-principles investigation of the energetics of point defects at a grain boundary in tungsten
    Chai, Jun
    Li, Yu-Hao
    Niu, Liang-Liang
    Qin, Shi-Yao
    Zhou, Hong-Bo
    Jin, Shuo
    Zhang, Ying
    Lu, Guang-Hong
    NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2017, 393 : 144 - 149
  • [28] First principles study of intrinsic defects in hexagonal tungsten carbide
    Kong, Xiang-Shan
    You, Yu-Wei
    Xia, J. H.
    Liu, C. S.
    Fang, Q. F.
    Luo, G. -N.
    Huang, Qun-Ying
    JOURNAL OF NUCLEAR MATERIALS, 2010, 406 (03) : 323 - 329
  • [29] Physics of intrinsic point defects in bismuth oxychalcogenides: A first-principles investigation
    Wei, Qilin
    Lin, Changqing
    Li, Yifan
    Zhang, Xuyang
    Zhang, Qingyun
    Shen, Qian
    Cheng, Yingchun
    Huang, Wei
    JOURNAL OF APPLIED PHYSICS, 2018, 124 (05)
  • [30] First-principles study of point defects at a semicoherent interface
    E. Metsanurk
    A. Tamm
    A. Caro
    A. Aabloo
    M. Klintenberg
    Scientific Reports, 4
12345