中国物理B ›› 2024, Vol. 33 ›› Issue (3): 36104-036104.doi: 10.1088/1674-1056/ad0146

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Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy

Yong-Peng Zhao(赵永鹏)1, Yan-Kun Dou(豆艳坤)1,†, Xin-Fu He(贺新福)1,‡, Han Cao(曹晗)1, Lin-Feng Wang(王林枫)1, Hui-Qiu Deng(邓辉球)2, and Wen Yang(杨文)1   

  1. 1 Reactor Engineering Technology Research Division, China Institute of Atomic Energy, Beijing 102413, China;
    2 School of Physics and Electronics, Hunan University, Changsha 410082, China
  • 收稿日期:2023-07-28 修回日期:2023-09-22 接受日期:2023-10-09 出版日期:2024-02-22 发布日期:2024-02-22
  • 通讯作者: Yan-Kun Dou, Xin-Fu He E-mail:douyankun@cnncmail.cn;hexinfu@cnncmail.cn
  • 基金资助:
    Project supported by the Dean’s Fund of China Institute of Atomic Energy (Grant No. 219256) and the CNNC Science Fund for Talented Young Scholars.

Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy

Yong-Peng Zhao(赵永鹏)1, Yan-Kun Dou(豆艳坤)1,†, Xin-Fu He(贺新福)1,‡, Han Cao(曹晗)1, Lin-Feng Wang(王林枫)1, Hui-Qiu Deng(邓辉球)2, and Wen Yang(杨文)1   

  1. 1 Reactor Engineering Technology Research Division, China Institute of Atomic Energy, Beijing 102413, China;
    2 School of Physics and Electronics, Hunan University, Changsha 410082, China
  • Received:2023-07-28 Revised:2023-09-22 Accepted:2023-10-09 Online:2024-02-22 Published:2024-02-22
  • Contact: Yan-Kun Dou, Xin-Fu He E-mail:douyankun@cnncmail.cn;hexinfu@cnncmail.cn
  • Supported by:
    Project supported by the Dean’s Fund of China Institute of Atomic Energy (Grant No. 219256) and the CNNC Science Fund for Talented Young Scholars.

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摘要： The primary radiation damage in pure V and TiVTa concentrated solid-solution alloy (CSA) was studied using a molecular dynamics method. We have performed displacement cascade simulations to explore the generation and evolution behavior of irradiation defects. The results demonstrate that the defect accumulation and agglomeration in TiVTa CSA are significantly suppressed compared to pure V. The peak value of Frenkel pairs during cascade collisions in TiVTa CSA is much higher than that in pure V due to the lower formation energy of point defects. Meanwhile, the longer lifetime of the thermal spike relaxation and slow energy dissipation capability of TiVTa CSA can facilitate the recombination of point defects. The defect agglomeration rate in TiVTa CSA is much lower due to the lower binding energy of interstitial clusters and reduced interstitial diffusivity. Furthermore, the occurrence probability of dislocation loops in TiVTa CSA is lower than that in pure V. The reduction in primary radiation damage may enhance the radiation resistance of TiVTa CSA, and the improved radiation tolerance is primarily attributed to the relaxation stage and long-term defect evolution rather than the ballistic stage. These results can provide fundamental insights into irradiation-induced defects evolution in refractory CSAs.

关键词: concentrated solid-solution alloy, primary radiation damage, molecular dynamics simulation

Abstract: The primary radiation damage in pure V and TiVTa concentrated solid-solution alloy (CSA) was studied using a molecular dynamics method. We have performed displacement cascade simulations to explore the generation and evolution behavior of irradiation defects. The results demonstrate that the defect accumulation and agglomeration in TiVTa CSA are significantly suppressed compared to pure V. The peak value of Frenkel pairs during cascade collisions in TiVTa CSA is much higher than that in pure V due to the lower formation energy of point defects. Meanwhile, the longer lifetime of the thermal spike relaxation and slow energy dissipation capability of TiVTa CSA can facilitate the recombination of point defects. The defect agglomeration rate in TiVTa CSA is much lower due to the lower binding energy of interstitial clusters and reduced interstitial diffusivity. Furthermore, the occurrence probability of dislocation loops in TiVTa CSA is lower than that in pure V. The reduction in primary radiation damage may enhance the radiation resistance of TiVTa CSA, and the improved radiation tolerance is primarily attributed to the relaxation stage and long-term defect evolution rather than the ballistic stage. These results can provide fundamental insights into irradiation-induced defects evolution in refractory CSAs.

Key words: concentrated solid-solution alloy, primary radiation damage, molecular dynamics simulation

中图分类号:  (Point defects and defect clusters)

  • 61.72.J-
02.70.Ns (Molecular dynamics and particle methods) 61.82.Bg (Metals and alloys)