中国物理B ›› 2023, Vol. 32 ›› Issue (2): 20206-020206.doi: 10.1088/1674-1056/ac7dba

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Molecular dynamics study of interactions between edge dislocation and irradiation-induced defects in Fe–10Ni–20Cr alloy

Tao-Wen Xiong(熊涛文)1, Xiao-Ping Chen(陈小平)2, Ye-Ping Lin(林也平)1,2,†, Xin-Fu He(贺新福)3,‡, Wen Yang(杨文)3, Wang-Yu Hu(胡望宇)1, Fei Gao(高飞)4, and Hui-Qiu Deng(邓辉球)2   

  1. 1 College of Materials Science and Engineering, Hunan University, Changsha 410082, China;
    2 School of Physics and Electronics, Hunan University, Changsha 410082, China;
    3 China Institute of Atomic Energy, Beijing 102413, China;
    4 Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor MI 48109, USA
  • 收稿日期:2022-03-07 修回日期:2022-05-17 接受日期:2022-07-02 出版日期:2023-01-10 发布日期:2023-01-31
  • 通讯作者: Ye-Ping Lin, Xin-Fu He E-mail:linyeping@hnu.edu.cn;hexinfu@ciae.ac.cn
  • 基金资助:
    Project supported by the National MCF Energy Research and Development Program, China (Grant No. 2018YFE0308101) and the China National Nuclear Corporation Centralized Research and Development Project (Grant No. FY18000120).

Molecular dynamics study of interactions between edge dislocation and irradiation-induced defects in Fe–10Ni–20Cr alloy

Tao-Wen Xiong(熊涛文)1, Xiao-Ping Chen(陈小平)2, Ye-Ping Lin(林也平)1,2,†, Xin-Fu He(贺新福)3,‡, Wen Yang(杨文)3, Wang-Yu Hu(胡望宇)1, Fei Gao(高飞)4, and Hui-Qiu Deng(邓辉球)2   

  1. 1 College of Materials Science and Engineering, Hunan University, Changsha 410082, China;
    2 School of Physics and Electronics, Hunan University, Changsha 410082, China;
    3 China Institute of Atomic Energy, Beijing 102413, China;
    4 Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor MI 48109, USA
  • Received:2022-03-07 Revised:2022-05-17 Accepted:2022-07-02 Online:2023-01-10 Published:2023-01-31
  • Contact: Ye-Ping Lin, Xin-Fu He E-mail:linyeping@hnu.edu.cn;hexinfu@ciae.ac.cn
  • Supported by:
    Project supported by the National MCF Energy Research and Development Program, China (Grant No. 2018YFE0308101) and the China National Nuclear Corporation Centralized Research and Development Project (Grant No. FY18000120).

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摘要： Irradiation-induced defects frequently impede the slip of dislocations, resulting in a sharp decline in the performance of nuclear reactor structural materials, particularly core structural materials. In the present work, molecular dynamics method is used to investigate the interactions between edge dislocations and three typical irradiation-induced defects (void, Frank loop, and stacking fault tetrahedron) with the sizes of 3 nm, 5 nm, and 7 nm at different temperatures in Fe-10Ni-20Cr alloy. The critical resolved shear stresses (CRSSs) are compared among different defect types after interacting with edge dislocations. The results show that the CRSS decreases with temperature increasing and defect size decreasing for each defect type during the interaction with edge dislocations, except for the case of 3-nm Frank loops at 900 K. According to a comparison, the CRSS in Frank loop is significantly higher than that of others of the same size, which is due to the occurrence of unfaulting and formation of superjog or stacking-fault complex during the interaction. The atomic evolution of irradiation-induced defects after interacting with dislocations can provide a novel insight into the design of new structural materials.

关键词: molecular dynamics simulation, edge dislocation, irradiation-induced defects, austenitic stainless steel

Abstract: Irradiation-induced defects frequently impede the slip of dislocations, resulting in a sharp decline in the performance of nuclear reactor structural materials, particularly core structural materials. In the present work, molecular dynamics method is used to investigate the interactions between edge dislocations and three typical irradiation-induced defects (void, Frank loop, and stacking fault tetrahedron) with the sizes of 3 nm, 5 nm, and 7 nm at different temperatures in Fe-10Ni-20Cr alloy. The critical resolved shear stresses (CRSSs) are compared among different defect types after interacting with edge dislocations. The results show that the CRSS decreases with temperature increasing and defect size decreasing for each defect type during the interaction with edge dislocations, except for the case of 3-nm Frank loops at 900 K. According to a comparison, the CRSS in Frank loop is significantly higher than that of others of the same size, which is due to the occurrence of unfaulting and formation of superjog or stacking-fault complex during the interaction. The atomic evolution of irradiation-induced defects after interacting with dislocations can provide a novel insight into the design of new structural materials.

Key words: molecular dynamics simulation, edge dislocation, irradiation-induced defects, austenitic stainless steel

中图分类号:  (Molecular dynamics and particle methods)

  • 02.70.Ns
61.72.Yx (Interaction between different crystal defects; gettering effect) 61.80.Hg (Neutron radiation effects) 61.82.Bg (Metals and alloys)