Studies of Energy and Mechanical Properties of Single-walled Carbon Nanotubes via Higher Order Cauchy Born Rule

摘要

Based on the higher order Cauchy-Born rule, a nanoscale finite deformation continuum theory, which links interatomic potentials and atomic microstructure of carbon nanotubes to a constitutive model, is presented for analysis of the mechanics of carbon nanotubes. By using of Tersoff-Brenner potential with two sets of parameters, the energy and Young's modulus of graphite sheet and single-walled carbon nanotubes are studied based on the theory presented. The findings are in good agreement with the existing experimental and theoretical results.