摘要
利用经典分子动力学方法,计算分析了单壁碳纳米管、双壁碳纳米管的扭转力学行为,结果表明,相同口径的双壁碳管,在长度一致的情况下,其扭转刚度与碳管结构关联很小.以锯齿型管为外壁的双壁管扭转时的轴向力使碳管伸长,而以其他类型管为外壁的双壁碳管扭转时轴向力使碳管收缩.这些结果对相关纳米器件的设计有重要意义.
We calculate and analyze the torsional mechanical behavior of single-walled and double-walled carbon nanotubes using classical molecular dynamics. It is found that the torsional stiffness is nearly independent of their structures for double-walled carbon nanotubes （DWCNTs） with same diameter and length. However, if outer tube of the DWCNT is zigzag-type, its axial stress will extend the DWCNT, whereas other type of outer tube will shrink the DWCNT. These results are very important for designing of the nano-electro-mechanical systems（NEMS）.
出处
《南京师大学报（自然科学版）》
CAS
CSCD
北大核心
2012年第4期30-33,62,共5页
Journal of Nanjing Normal University(Natural Science Edition)
基金
江苏省自然科学基金(BK2008047)
关键词
经典分子动力学
碳纳米管
扭转力学行为
classical molecular dynamics, carbon nanotubes, torsional mechanical behavior
