含缺陷双层碳纳米管轴压屈曲的分子动力学模拟

摘要

为充分了解双层碳纳米管的力学性能,采用分子动力学模拟方法对双层碳纳米管的轴压屈曲变形进行了研究,针对双层碳纳米管的内、外管均为完善管或外管为完善管而内管存在不同缺陷的情况,着重分析对比了内、外管的单壁承载性能及变形特性.结果表明两支单层碳纳米管嵌套形成双层碳纳米管后,无论内管是否存在缺陷,内、外管的单管承载能力均大幅提高,且当内管单独受压产生屈曲变形时,双层碳纳米管的内、外层管变形并不协调.%In order to fully reveal the mechanical properties of double-wall carbon nanotubes ( DWCNTs), the bulking of the nanotubes under axial compression is investigated through the molecular dynamics simulation, and the bearing properties and the deformation of the individual inner and outer layers are emphatically analyzed and compared by taking into consideration the defect of the inner tube. The results show that, for a double-wall nanotube fabricated with two single-wall nanotubes, the bearing capacities of both the inner and the outer tubes greatly improve even though the inner tube is defective, and that, when the force is exerted only on the inner tube, the deformations of the inner and the outer tubes are inharmonious.