| 辐照导致钨表面的溅射现象的理论研究 |
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| 引用本文： | 化雪敏,何海燕,丁文艺,丁锐,陈俊凌,潘必才.辐照导致钨表面的溅射现象的理论研究[J].化学物理学报,2017,30(1):77-82. |
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| 作者姓名： | 化雪敏 何海燕 丁文艺 丁锐 陈俊凌 潘必才 |
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| 作者单位： | 中国科学技术大学物理系, 中国科学院强耦合实验室, 合肥 230026,中国科学技术大学物理系, 中国科学院强耦合实验室, 合肥 230026,中国科学技术大学物理系, 中国科学院强耦合实验室, 合肥 230026,中国科学院合肥物质研究院等离子物理研究所, 合肥 230026,中国科学院合肥物质研究院等离子物理研究所, 合肥 230026,中国科学技术大学物理系, 中国科学院强耦合实验室, 合肥 230026 |
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| 基金项目： | 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. |
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| 摘 要： | 采用基于量子力学的分子动力学方法，模拟了高能粒子辐照导致钨表面的溅射和结构损伤.结果显示，当PKA能量高于200 eV且入射角度大于65°时开始产生溅射原子，当入射角度在45°-65°之间时，钨表面因受辐照而导致的空位数目最少.因此，当PKA入射角度取在45°-65°之间时，可以有效地降低辐照导致的钨表面的结构损伤.还发现钨表面含有间隙原子时会加剧表面原子溅射，而包含空位原子且PKA取在空位附近时则会抑制表面原子的溅射.
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| 关 键 词： | 溅射 钨表面 第一壁材料 紧束缚势分子动力学模拟 |
| 收稿时间： | 2016/7/6 0:00:00 |
| 修稿时间： | 2016/10/16 0:00:00 |
Theoretical Simulations of Irradiation-Induced Sputtering at Tungsten Surface |
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| Xue-min Hu,Hai-yan He,Wen-yi Ding,Ru Ding,Jun-ling Chen and Bi-cai Pan.Theoretical Simulations of Irradiation-Induced Sputtering at Tungsten Surface[J].Chinese Journal of Chemical Physics,2017,30(1):77-82. |
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| Authors: | Xue-min Hu Hai-yan He Wen-yi Ding Ru Ding Jun-ling Chen and Bi-cai Pan |
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| Institution: | 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.,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.,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.,Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031, China,Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031, China and 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. |
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| 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. |
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| Keywords: | Sputtering W surface Plasma facing material Tight-binding molecular dynamics simulations |
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