单壁碳纳米管的力学性能、断裂和屈服行为与其几何形貌的关系

Dependence of mechanical characteristics and the fracture and buckling behavior of single-walled carbon nanotubes on their geometry

  • 摘要: 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。

     

    Abstract: The dependence of the mechanical characteristics of single-walled carbon nanotubes on their length, radius, and chirality is investigated by molecular dynamics simulation. The observed changes in the mechanical properties with radii are compared with the results reported by other authors under both tensile and compressive loading. The tensile properties of zigzag and armchair CNTs are not dependent on their lengths. Slight changes in the mechanical properties with chirality are also reported. However, their compressive properties, primarily their stiffness and critical compressive stress, vary with length for all types of CNTs. The fracture patterns show different modes in each case. Buckling produces kinks, wavy structures, shell-wall buckling, columnar buckling, bending, and twisting.

     

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