Finite deformation continuum model for single-walled carbon nanotubes (Q1434685)

An analytical continuum model for computing strain energies and estimating Young's modulus of SWCNTs is developed using a multi-scale approach based on the energy equivalence. Finite deformation kinematics is invoked to describe the tube formation on the continuum level. Based on the equivalence of strain energy and molecular potential energy, an explicit formula for calculating the Young's modulus is derived, which, containing parameters at both continuum and molecular scales, directly links the macroscopic responses of nanotubes to their molecular structures. To demonstrate the application of the new formula, a parametric study of sample cases is conducted.