摘要
通过对单壁碳纳米管的独特结构的仔细分析,运用分子力学方法,得到了单壁碳纳米管抗弯刚度的计算公式,其结果与目前公认的单壁碳纳米管的有效抗弯刚度吻合得很好.基于单壁碳纳米管的分析结果,提出了一种新的计算多壁碳纳米管抗弯刚度的方法,并推导了多壁碳纳米管的抗弯刚度公式.该公式能在极限条件下很好的还原为经典弹性力学中的抗弯刚度公式,并清楚地反映单壁碳纳米管抗弯刚度不能由经典弹性力学抗弯刚度公式计算的本质原因.结果很好地解释了多壁碳纳米管的屈曲波长与经典预言偏差很大的现象.
The formula of bending stiffness of single-walled carbon nantubes (SWCN) has been derived via molecular mechanics based on analysing the special structure of SWNT,and the value calculated from this formula is in excellent agreement with effective bending stiffness.Furthermore,the formula of bending stiffness of multi-walled carbon nantubes (MWCN) has been derived via a quasi-continuum mechanical method.This formula can be reduced to the classic bending stiffness formula with the special conditions,and explain why the bending stiffness of SWNT can not be obtained by classic formula.The buckle wavelength of MWCN can be correctly predicted with the present result.
关键词
碳纳米管
抗弯刚度
分子力学
连续介质力学
屈曲波长
carbon nanotubes
bending stiffness
molecular mechanics
continuum mechanics
buckle wavelength
