Computational study of compressive loading of carbon nanotubes using quasi-continuum method

A reduced-order general continuum method is used to examine the mechanical behavior of single-walled carbon nanotubes (CNTs) under compressive loading and unloading conditions. Quasi-static solutions are sought where the total energy of the system is minimized with respect to the spatial degrees of freedom. The obtained continuum solution is mapped back to the lattice structure of CNTs. We then provide a detailed analysis of buckled configurations for four different types of CNTs on the lattice level and show that, among the cases studied, the armchair CNT has the strongest resistance to the compressive loading. It is also shown that the buckled CNT will significantly lose its structural strength with the zigzag lattice structure. The post-buckling unloading of CNTs demonstrates that, after the occurrence of buckling, the CNT can return to its original state, making its use desirable in fields such as synthetic biomaterials, electromagnetic devices, or polymer composites.

► Mechanical behavior of CNTs is modeled by a reduced-order general continuum method. ► Obtained continuum solutions are mapped back to the lattice structure of CNTs. ► The zigzag CNT shows the most apparent buckling pattern among studied CNTs. ► The armchair CNT exhibits the strongest resistance to the compressive loading. ► The simulated CNTs return to their original state during unloading.