Atomistic simulation of radiation damage to carbon nanotube

被引：18

作者：

Cui, FZ ^{[1
]}

Chen, ZJ ^{[1
]}

Ma, J ^{[1
]}

Xia, GR ^{[1
]}

Zhai, Y ^{[1
]}

机构：

[1] Tsinghua Univ, Dept Mat Sci & Engn, Beijing 100084, Peoples R China

来源：

PHYSICS LETTERS A | 2002年 / 295卷 / 01期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1016/S0375-9601(02)00066-X

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Damaging carbon nanotube upon energetic irradiation has been modeled with molecular-dynamics simulations. The angular dependence of the threshold energy of the primary knock-on atom (PKA) escaping from the tube is investigated in the initial PKA directions spanning half space. The average value of the threshold energy is calculated to be 19.3 eV. The simulations provided a detailed picture of the damaging processes, in which four mechanisms were revealed. The interactions between carbon atoms are described with the Tersoff mode modified to match a screened Coulomb potential at short range. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：55 / 59

页数：5

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