Atomistic simulations of the nonlinear deformation and damage modes of super carbon nanotubes

The tensile deformations and fractures of super carbon nanotubes (STs) are investigated through the atomic-scale finite element method. STs generated from carbon nanotubes (CNTs) with different characteristic aspect-ratioed arms are found to have different nonlinear behaviors in the uniaxial tension process. Specifically, the ST with higher aspect-ratioed arms has three distinct stages: rotation, stretch and rupture, while the ST with lower aspect-ratioed arms has only two stages. Moreover, the local buckling can be only observed in the ST with higher aspect-ratioed arms. This information may lay the foundations for further explorations to the properties of STs in the near future.