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电子-离子耦合效应对立方碳化硅辐射损伤的影响。

Electron-ion coupling effects on radiation damage in cubic silicon carbide.

机构信息

The Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, People's Republic of China.

出版信息

J Phys Condens Matter. 2013 Jun 12;25(23):235402. doi: 10.1088/0953-8984/25/23/235402. Epub 2013 May 16.

Abstract

A two-temperature model has been used to investigate the effects of electron-ion coupling on defect formation and evolution in irradiated cubic silicon carbide. By simulating 10 keV displacement cascades under identical primary knock-on atom conditions, we find that the final displacement and the kinetic energy of the primary knock-on atom decrease rapidly with increasing electron-ion coupling strength. Moreover, by analyzing the number of peak defects, atomic and electronic temperatures, it is found that a higher number of peak defects is created for intermediate coupling strength due to the electronic temperature making a contribution to the disorder. Strong electron-ion coupling rapidly removes energy from the cascade, thus the number of peak defects is lower. Meanwhile, there is a non-monotonic trend in the relationship between the coupling strength and the time at which the temperature of atoms reaches the minimum. Furthermore, we discuss the mechanisms involved.

摘要

已采用双温模型来研究电子-离子耦合对辐照碳化硅中缺陷形成和演化的影响。通过在相同的初级碰撞原子条件下模拟 10keV 位移级联,我们发现最终位移和初级碰撞原子的动能随电子-离子耦合强度的增加而迅速下降。此外,通过分析峰值缺陷的数量、原子和电子温度,发现在中间耦合强度下会产生更多的峰值缺陷,这是由于电子温度对无序有贡献。强电子-离子耦合会迅速从级联中去除能量,因此峰值缺陷的数量较低。同时,原子温度达到最小值的时间与耦合强度之间存在非单调趋势。此外,我们还讨论了相关机制。

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