Structural dependence of nonlinear elastic properties for carbon nanotubes using a continuum analysis

Based on molecular mechanics coupled with the atomistic-based continuum theory, a structural mechanics approach is presented to examine the nonlinear elastic properties of carbon nanotubes (CNTs) subjected to large axial deformations. According to molecular mechanics, the interaction force between atoms is modeled using the Morse potential. The nanoscale continuum theory is established to directly incorporate the Morse potential function into the constitutive model of CNTs. In this paper, we simulate and examine the influence of CNT structures on the stress–strain response. The linear elastic property of CNTs is independent of the helicity of the hexagonal carbon lattice along the tubes, while their nonlinear elastic behavior shows a larger chirality dependence. The present theoretical approach supplies a set of very simple formulas and is able to serve as a good approximation of the mechanical properties of CNTs. PACS 62.20.-x; 62.20.Dc; 62.25.+g