Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni-Co-Fe medium-entropy alloy

doi:10.1088/1674-1056/ac891e

中国物理B ›› 2022, Vol. 31 ›› Issue (12): 126102-126102.doi: 10.1088/1674-1056/ac891e

Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni-Co-Fe medium-entropy alloy

Lin Lang(稂林)¹, Huiqiu Deng(邓辉球)^2,†, Jiayou Tao(陶家友)¹, Tengfei Yang(杨腾飞)³, Yeping Lin(林也平)³, and Wangyu Hu(胡望宇)³

1 Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of Physics and Electrical Sciences, Hunan Institute of Science and Technology, Yueyang 414006, China;
2 School of Physics and Electronics, Hunan University, Changsha 410082, China;
3 College of Materials Science and Engineering, Hunan University, Changsha 410082, China

收稿日期:2022-06-14 修回日期:2022-08-08 接受日期:2022-08-12 出版日期:2022-11-11 发布日期:2022-11-11
通讯作者: Huiqiu Deng E-mail:hqdeng@hnu.edu.cn
基金资助:
This work was financially supported by the National Natural Science Foundation of China (Grant No. 11775074) and the Science and Technology Program of Hunan Province, China (Grant No. 2019TP1014). The authors also thank the National Supercomputer Center in Changsha for the computational resource provided.

Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni-Co-Fe medium-entropy alloy

Lin Lang(稂林)¹, Huiqiu Deng(邓辉球)^2,†, Jiayou Tao(陶家友)¹, Tengfei Yang(杨腾飞)³, Yeping Lin(林也平)³, and Wangyu Hu(胡望宇)³

1 Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of Physics and Electrical Sciences, Hunan Institute of Science and Technology, Yueyang 414006, China;
2 School of Physics and Electronics, Hunan University, Changsha 410082, China;
3 College of Materials Science and Engineering, Hunan University, Changsha 410082, China

Received:2022-06-14 Revised:2022-08-08 Accepted:2022-08-12 Online:2022-11-11 Published:2022-11-11
Contact: Huiqiu Deng E-mail:hqdeng@hnu.edu.cn
Supported by:
This work was financially supported by the National Natural Science Foundation of China (Grant No. 11775074) and the Science and Technology Program of Hunan Province, China (Grant No. 2019TP1014). The authors also thank the National Supercomputer Center in Changsha for the computational resource provided.

摘要/Abstract

摘要： High-entropy alloys (HEAs) and medium-entropy alloys (MEAs) have attracted a great deal of attention for developing nuclear materials because of their excellent irradiation tolerance. Herein, formation and evolution of radiation-induced defects in NiCoFe MEA and pure Ni are investigated and compared using molecular dynamics simulation. It is observed that the defect recombination rate of ternary NiCoFe MEA is higher than that of pure Ni, which is mainly because, in the process of cascade collision, the energy dissipated through atom displacement decreases with increasing the chemical disorder. Consequently, the heat peak phase lasts longer, and the recombination time of the radiation defects (interstitial atoms and vacancies) is likewise longer, with fewer deleterious defects. Moreover, by studying the formation and evolution of dislocation loops in Ni-Co-Fe alloys and Ni, it is found that the stacking fault energy in Ni-Co-Fe decreases as the elemental composition increases, facilitating the formation of ideal stacking fault tetrahedron structures. Hence, these findings shed new light on studying the formation and evolution of radiation-induced defects in MEAs.

关键词: medium-entropy alloy, molecular dynamics simulations, radiation-induced defects, stacking fault energy

Abstract: High-entropy alloys (HEAs) and medium-entropy alloys (MEAs) have attracted a great deal of attention for developing nuclear materials because of their excellent irradiation tolerance. Herein, formation and evolution of radiation-induced defects in NiCoFe MEA and pure Ni are investigated and compared using molecular dynamics simulation. It is observed that the defect recombination rate of ternary NiCoFe MEA is higher than that of pure Ni, which is mainly because, in the process of cascade collision, the energy dissipated through atom displacement decreases with increasing the chemical disorder. Consequently, the heat peak phase lasts longer, and the recombination time of the radiation defects (interstitial atoms and vacancies) is likewise longer, with fewer deleterious defects. Moreover, by studying the formation and evolution of dislocation loops in Ni-Co-Fe alloys and Ni, it is found that the stacking fault energy in Ni-Co-Fe decreases as the elemental composition increases, facilitating the formation of ideal stacking fault tetrahedron structures. Hence, these findings shed new light on studying the formation and evolution of radiation-induced defects in MEAs.

Key words: medium-entropy alloy, molecular dynamics simulations, radiation-induced defects, stacking fault energy

中图分类号: (Defects and impurities in crystals; microstructure)

61.72.-y

61.80.-x (Physical radiation effects, radiation damage) 61.82.-d (Radiation effects on specific materials) 71.15.Pd (Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)

Lin Lang(稂林), Huiqiu Deng(邓辉球), Jiayou Tao(陶家友), Tengfei Yang(杨腾飞), Yeping Lin(林也平), and Wangyu Hu(胡望宇). Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni-Co-Fe medium-entropy alloy[J]. 中国物理B, 2022, 31(12): 126102-126102.

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Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni-Co-Fe medium-entropy alloy

Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni-Co-Fe medium-entropy alloy

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