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中文核心期刊

单壁碳纳米管的等效梁单元有限元模型

Finite element model with equivalent beam elements of single-walled carbon nanotubes

  • 摘要: 石墨层和单臂碳纳米管都是以C---C共价键结合的. 在小变形条件下C---C键的势能可用谐和函数来描述,这与梁单元的变形能具有相同的形式,因此可以用梁单元等效C---C键的作用.提出了一种C---C键的等效梁单元有限元模型,该模型能够完备地替代谐和势描述C---C键的伸长、面内键角变化、离面键角变化和扭转. 通过分析石墨层的典型受载情况得到了等效梁单元的参数,以及等效梁单元参数与谐和势参数的关系,并用该模型计算了单臂碳纳米管的杨氏模量和泊松比,计算结果为相关文献所验证.

     

    Abstract: Graphite sheet and single-walled carbon nanotube areintegrated through Carbon-Carbon (C---C) covalent bonds. Under the assumption ofsmall deformation, the potential of C---C bonds can be described by a harmonicfunction, with the same form as the strain energy function of beamelements, so beam elements can be used to describe C---C bonds. This paperpresents a finite element model with equivalent beam elements, which canperfectly replace the harmonic potential to describe the bond stretching,bond angle variance, inversion angle variance and torsion of the C---C bonds.By the analysis of graphite sheet under typical loads, the parameters of theequivalent beam elements and the relation of the parameters of theequivalent beam elements vs the C---C bonds are obtained. By using the model,the elastic properties for achiral nanotubes are calculated. The results arein good agreement with the existing results.

     

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