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本文采用分子动力学方法研究了公度、无公度情况下含空位、Stone-Thrower-Wales(STW)型缺陷的单壁碳纳米管(SWCNT)在石墨基底上的摩擦与运动行为.结果表明,公度时缺陷的存在导致了界面局部无公度,减小了摩擦.随着碳纳米管底部STW缺陷的增多,碳纳米管变形增大,侧向力波动的幅值减小,局部无公度性增强,摩擦减小.含空位缺陷的碳纳米管所受的摩擦力明显大于含STW缺陷的碳纳米管,原因在于含空位缺陷的碳纳米管在运动的后期出现了明显的翻转现象,增大了能量耗散.无公度时,碳纳米管与石墨基底间的摩擦力很小,缺陷对其摩擦力影响不大,原因在于无论是否含有缺陷,碳纳米管与石墨组成的界面的无公度性差别不大.
In this paper, molecular dynamics simulation is used to study the friction and motion behavior of single-walled carbon nanotubes (SWCNTs) with defects of Stone-Thrower-Wales (STW) , The presence of defects in the common degree leads to a local unparalleled degree of the interface and reduces the friction.With the increase of the STW defects at the bottom of the carbon nanotubes, the deformation of the carbon nanotubes increases and the magnitude of the lateral force fluctuation decreases, The degree of friction is reduced, the frictional force of carbon nanotubes containing vacancy defects is obviously greater than that of carbon nanotubes containing STW defects because the carbon nanotubes containing vacancy defects appear obvious overturning phenomenon at the later stage of movement , Increasing the energy dissipation.Where no degree of publicity, the friction between the carbon nanotubes and the graphite substrate is small, the defect has little effect on the friction force, because, whether or not containing defects, the interface composed of carbon nanotubes and graphite The degree of non-public difference is not large.