Mechanical characterization of single-walled carbon nanotubes: Numerical simulation study

The mechanical behaviour of non-chiral and chiral single-walled carbon nanotubes under tensile and bending loading conditions is investigated. For this purpose, three-dimensional finite element modelling is used in order to evaluate the tensile and bending rigidities and, subsequently, the Young's moduli. It is shown that the evolution of rigidity, tensile and bending, as a function of diameter can be described by a unique function for non-chiral and chiral single-walled nanotubes, i.e. regardless of the index or angles of chirality. A comprehensive study of the influence of the nanotube wall thickness and diameter on the Young's modulus values is also carried out. It is established that the evolution of the Young's modulus as a function of the inverse of the wall thickness follows a quasi-linear trend for nanotubes with diameters larger than 1.085 nm. The current numerical simulation results are compared with data reported in the literature. This work provides a benchmark in relation to ascertaining the mechanical properties of chiral and non-chiral single-walled carbon nanotubes by nanoscale continuum models.