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
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 Cv decreases significantly after reaching the peak value, while the interstitial atom concentration Ci increases significantly after decline of the previous stage. At the peak depth of ion implantation, Cv dropped by 86%, and Ci 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.
Fund: 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).
Corresponding Authors:
Shasha Lv, Zhengcao Li
E-mail: lvss@bnu.edu.cn;zcli@tsinghua.edu.cn
Cite this article:
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 2021 Chin. Phys. B 30 056105
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