Studies of Energy and Mechanical Properties of Single-Walled Carbon Nanotubes via Higher Order Cauchy Born Rule
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.
Chunli BAI, Sishen XIE, Xing ZHU
J.B. Wang et al., "Studies of Energy and Mechanical Properties of Single-Walled Carbon Nanotubes via Higher Order Cauchy Born Rule", Solid State Phenomena, Vols. 121-123, pp. 1029-1032, 2007