| Simulation of Helium Behaviour in Titanium Crystals Using Molecular Dynamics |
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| 作者姓名： | 汪俊 侯氢 孙铁英 吴仲成 龙兴贵 吴兴春 罗顺忠 |
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| 作者单位： | [1]Key Laboratory for Radiation Physics and Technology, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064 [2]Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 |
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| 基金项目： | Supported by the National Natural Science Foundation of China under Grant Nos 50371079 and 10475059. |
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| 摘 要： |
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| 关 键 词： | 钛晶体 分子动力学 交互效应 氦原子 |
| 收稿时间： | 2006-03-11 |
| 修稿时间： | 2006-03-11 |
Simulation of Helium Behaviour in Titanium Crystals Using Molecular Dynamics |
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| WANG Jun, HOU Qing, SUN Tie-Ying, WU Zhong-Cheng, LONG Xing-Gui, WU Xing-Chun, LUO Shun-Zhong.Simulation of Helium Behaviour in Titanium Crystals Using Molecular Dynamics[J].Chinese Physics Letters,2006,23(7):1666-1669. |
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| Authors: | WANG Jun HOU Qing SUN Tie-Ying WU Zhong-Cheng LONG Xing-Gui WU Xing-Chun LUO Shun-Zhong |
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| Abstract: | The behaviour of helium in Ti crystals at 300 K has been investigated by means of the molecular dynamics. The study is focused on the influences of He-Ti interaction on the aggregation of helium atoms in the substrate. When a Born-Mayer potential is used to describe the He-Ti interaction, the He atoms are unable to cluster with each other due to the weak bridge barrier that cannot trap the helium atoms, Whereas using a He-Ti potential that is constructed by fitting the ab initio pairwise He-Ti potential, the clustering of He atoms can be observed. The results indicate that suitable He-Ti potential plays an important role in the formation of He clusters in metals. Moreover, it is noted that the shape of the formed He cluster is irregular, and the produced defect prefers to congregating on one side of the He cluster rather than spreading symmetrically around it. |
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