Acta Scientiarum Naturalium Universitatis Pekinensis

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Molecular Dynamics Study on the Irradiation-Induced Damage in SiC

HE Bin, XUE Jianming, ZOU Xueqing, WANG Yugang   

  1. State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing 100871;
  • Received:2008-04-10 Online:2009-05-20 Published:2009-05-20



  1. 北京大学核物理与核技术国家重点实验室,北京100871;

Abstract: Molecular dynamics(MD)simulation was performed to study the irradiation-induced damage defects in SiC sample. The empirical Tersoff potential was employed to describe the interaction between SiC atoms, and 10 keV Si and 200 keV Au were used as incident ions. The electronic energy loss of the incident ions was coupled to the target atoms based on the ion track model. The simulation results indicate that the electronic energy loss can increase the maximum number of the displaced atoms. However, it only has slight influence on the final defects number, which maintains the power-law dependence on the nuclear energy loss.

Key words: molecular dynamics, electronic energy loss, irradiation defect, SiC

摘要: 利用分子动力学方法模拟了SiC材料的辐照损伤过程,对缺陷的产生规律以及电子能损的影响进行了研究。模拟中,SiC原子之间的作用势采用Tersoff经验势,入射离子采用了10keV的Si和200keV的Au。在200keV的Au原子入射的情况下,利用iontrack模型考虑了电子能损的效应。结果表明电子能损的影响主要体现在级联碰撞过程中移位原子的峰值的增大,对系统稳定后最后的缺陷数量影响不明显,缺陷对个数与核能损仍然保持幂函数的关系。

关键词: 分子动力学, 电子能损, 辐照损伤, SiC

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