金纳米线嵌入碳纳米管压缩行为的分子动力学模拟  

Molecular Dynamic Simulations of Compressing Behavior of an Aurum Nanowire Encapsulated in a Carbon Nanotube

作　　者：李云芳[1] 李辉[1,2] 孙丰伟[1] 高芳[1] 

机构地区：[1]中国海洋大学信息科学与工程学院物理系,山东青岛266100 [2]山东大学材料科学与工程学院材料液态结构及其遗传性教育部重点实验室,山东济南250061

出　　处：《广东化工》2009年第10期23-25,共3页Guangdong Chemical Industry

摘　　要：利用分子动力学方法对金纳米线嵌入碳纳米管(AuNW@CNT)复合结构的压缩变形行为进行了模拟研究。模拟结果说明,金纳米线的加入使碳纳米管的稳定性增强。没有缺陷的结构在最大承受载荷上要比有空位缺陷的结构大,而且,缺陷越大,材料的最大承受载荷越小。随着压缩速率的增大,AuNW@CNT(12,12)复合结构的临界应变和最大压缩轴向力都变大。Molecular dynamic simulations were performed to study the deformation behavior of nanocomposite structure formed by the insertion of an aurum nanowire into a carbon nanotube （AuNW@CNT） under compression. The simulation results indicated that insertion of the AuNW into CNT made the stability of CNT increase. The maxmium critical load of perfect compound strucrure was larger than the structures with vacancies, and the larger the vacancies, the smaller of the maxmium critical load. As the compressing rate increase, the critical strain and the maxmium critical load of compound structures increased.

关 键 词：分子动力学模拟 力学性质 纳米复合结构 金纳米线 

分 类 号：O64[理学—物理化学]