Evolution of ion-irradiated point defect concentration by cluster dynamics simulation

doi:10.1088/1674-1056/abf102

中国物理B ›› 2021, Vol. 30 ›› Issue (5): 56105-056105.doi: 10.1088/1674-1056/abf102

所属专题： SPECIAL TOPIC — Ion beam modification of materials and applications

Evolution of ion-irradiated point defect concentration by cluster dynamics simulation

Shuaishuai Feng(冯帅帅)^1,4, Shasha Lv(吕沙沙)^2,†, Liang Chen(陈良)³, and Zhengcao Li(李正操)^4,‡

1 Key Laboratory of Advanced Materials(MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China;
2 Key Laboratory of Beam Technology and Material Modification(MOE), College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, China;
3 School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China;
4 The Department of Engineering Physics, Tsinghua University, Beijing 100084, China

收稿日期:2020-12-21 修回日期:2021-03-04 接受日期:2021-03-23 出版日期:2021-05-14 发布日期:2021-05-14
通讯作者: Shasha Lv, Zhengcao Li E-mail:lvss@bnu.edu.cn;zcli@tsinghua.edu.cn
基金资助:
Project supported by the Special Funds for the Key Research and Development Program of the Ministry of Science and Technology of China (Grant No. 2017YFB0702201).

Evolution of ion-irradiated point defect concentration by cluster dynamics simulation

Shuaishuai Feng(冯帅帅)^1,4, Shasha Lv(吕沙沙)^2,†, Liang Chen(陈良)³, and Zhengcao Li(李正操)^4,‡

1 Key Laboratory of Advanced Materials(MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China;
2 Key Laboratory of Beam Technology and Material Modification(MOE), College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, China;
3 School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China;
4 The Department of Engineering Physics, Tsinghua University, Beijing 100084, China

Received:2020-12-21 Revised:2021-03-04 Accepted:2021-03-23 Online:2021-05-14 Published:2021-05-14
Contact: Shasha Lv, Zhengcao Li E-mail:lvss@bnu.edu.cn;zcli@tsinghua.edu.cn
Supported by:
Project supported by the Special Funds for the Key Research and Development Program of the Ministry of Science and Technology of China (Grant No. 2017YFB0702201).

摘要/Abstract

摘要： The relationship between ions irradiation and the induced microstructures (point defects, dislocations, clusters, etc.) could be better analyzed and explained by simulation. The mean field rate theory and cluster dynamics are used to simulate the effect of implanted Fe on the point defects concentration quantitatively. It is found that the depth distribution of point defect concentration is relatively gentle than that of damage calculated by SRIM software. Specifically, the damage rate and point defect concentration increase by 1.5 times and 0.6 times from depth of 120 nm to 825 nm, respectively. With the consideration of implanted Fe ions, which effectively act as interstitial atoms at the depth of high ion implantation rate, the vacancy concentration C_v decreases significantly after reaching the peak value, while the interstitial atom concentration C_i increases significantly after decline of the previous stage. At the peak depth of ion implantation, C_v dropped by 86%, and C_i increased by 6.2 times. Therefore, the implanted ions should be considered into the point defects concentration under high dose of heavy ion irradiation, which may help predict the concentration distribution of defect clusters, further analyzing the evolution behavior of solute precipitation.

关键词: ion irradiation, point defect concentration, cluster dynamics simulation

Abstract: The relationship between ions irradiation and the induced microstructures (point defects, dislocations, clusters, etc.) could be better analyzed and explained by simulation. The mean field rate theory and cluster dynamics are used to simulate the effect of implanted Fe on the point defects concentration quantitatively. It is found that the depth distribution of point defect concentration is relatively gentle than that of damage calculated by SRIM software. Specifically, the damage rate and point defect concentration increase by 1.5 times and 0.6 times from depth of 120 nm to 825 nm, respectively. With the consideration of implanted Fe ions, which effectively act as interstitial atoms at the depth of high ion implantation rate, the vacancy concentration C_v decreases significantly after reaching the peak value, while the interstitial atom concentration C_i increases significantly after decline of the previous stage. At the peak depth of ion implantation, C_v dropped by 86%, and C_i increased by 6.2 times. Therefore, the implanted ions should be considered into the point defects concentration under high dose of heavy ion irradiation, which may help predict the concentration distribution of defect clusters, further analyzing the evolution behavior of solute precipitation.

Key words: ion irradiation, point defect concentration, cluster dynamics simulation

中图分类号: (Ion radiation effects)

61.80.Jh

61.72.J- (Point defects and defect clusters) 61.43.Bn (Structural modeling: serial-addition models, computer simulation)

Shuaishuai Feng(冯帅帅), Shasha Lv(吕沙沙), Liang Chen(陈良), and Zhengcao Li(李正操). Evolution of ion-irradiated point defect concentration by cluster dynamics simulation[J]. 中国物理B, 2021, 30(5): 56105-056105.

Shuaishuai Feng(冯帅帅), Shasha Lv(吕沙沙), Liang Chen(陈良), and Zhengcao Li(李正操). Evolution of ion-irradiated point defect concentration by cluster dynamics simulation[J]. Chin. Phys. B, 2021, 30(5): 56105-056105.

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Evolution of ion-irradiated point defect concentration by cluster dynamics simulation

Evolution of ion-irradiated point defect concentration by cluster dynamics simulation

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