采用分子动力学模拟研究了单壁碳纳米管的力学特性与其长度、直径及手性的关系。在施加拉伸或压缩载荷时,不同直径的单壁碳纳米管表现出明确的力学性能变化。锯齿型和扶手椅型碳纳米管的拉伸性能与其长度无关,而对于手性碳纳米管来说则稍有变化。所有类型碳纳米管的压缩特性,主要是刚度和临界压应力均随碳纳米管长度的变化而改变。断裂模式因结构不同而异,屈服过程产生纽结、波浪状结构、柱状屈曲、弯曲和扭曲等。 Molecular dynamics simulation was used to investigate the relationship between the mechanical properties of single-walled carbon nanotubes and their length, diameter and chirality. Single-walled carbon nanotubes of different diameters exhibit definite changes in mechanical properties when tensile or compressive loads are applied. Tensile properties of zigzag and armchair carbon nanotubes have nothing to do with their length, while they vary slightly for a chiral carbon nanotube. The compressive properties of all types of carbon nanotubes, mainly the stiffness and the critical compressive stress, vary with the length of the carbon nanotubes. Fracture mode varies from structure to structure, yield kink, wavy structure, columnar buckling, bending and twisting.