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Theoretical Simulations of Irradiation-Induced Sputtering at Tungsten Surface
Xue-min Hua,Hai-yan He,Wen-yi Ding,Ru Ding,Jun-ling Chen,Bi-cai Pan
Author NameAffiliationE-mail
Xue-min Hua Key Laboratory of Strongly-Coupled Quantum Matter Physics, Department of Physics, and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China.  
Hai-yan He Key Laboratory of Strongly-Coupled Quantum Matter Physics, Department of Physics, and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China.  
Wen-yi Ding Key Laboratory of Strongly-Coupled Quantum Matter Physics, Department of Physics, and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China.  
Ru Ding Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031, China  
Jun-ling Chen Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031, China  
Bi-cai Pan Key Laboratory of Strongly-Coupled Quantum Matter Physics, Department of Physics, and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China. bcpan@ustc.edu.cn 
Abstract:
The irradiation-induced sputtering and the structural damage at tungsten surface are investigated by using molecular dynamics simulations at the level of quantum mechanics. Our simulations indicate that the sputtered atoms appear when the energy of incident primary knock-on atom (PKA) is more than 200 eV and the incident angle of the PKA is larger than 65°. Meanwhile, the irradiation-induced vacancies are less when the incident angle of PKA is in the range of 45°-65°. So, the optimum incident angles of PKA are suggested to reduce the irradiation-induced damage of the W surface. Furthermore, we find that the interstitials contained in the systems accelerate the sputtering whereas the intrinsic vacancies suppress the sputtering when the PKA is near the defects.
Key words:  Sputtering  W surface  Plasma facing material  Tight-binding molecular dynamics simulations
FundProject:This work is supported by the National Magnetic Confinement Fusion Program (No.2013GB107004),the National Natural Science Foundation of China (No.11275191).The Computational Center of USTC is acknowledged for computational support.
辐照导致钨表面的溅射现象的理论研究
化雪敏,何海燕,丁文艺,丁锐,陈俊凌,潘必才
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DOI:10.1063/1674-0068/30/cjcp1607138
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