The mechanical properties of a double-walled carbon nanotube with some regular inter-wall sp3 bonds and a double-walled carbon nanotube under uniaxial loading were investigated using molecular dynamics simulations. The interaction between atoms was modeled using the empirical Tersoff-Brenner potential coupled with the Lennard-Jones potential. The sensitivity of the mechanical behavior with respect to the atom vacancy was also examined by ascribing various vacancy defects to the {5,5}-{10,10} nanotubes and double-walled carbon nanotubes in compression simulations. The Young’s modulus of the ideal {5,5}-{10,10} double-walled carbon nanotube and the ideal {5,5}-{10,10} nanotubes under axial tension was 1157.10 and 1028.3GPa, respectively. Also obtained were the critical buckling strains and critical buckling load of {5,5}-{10,10} nanotubes. It was found that inter-wall sp3 bonding of double-walled carbon nanotubes could enhance load transfer and significantly increase buckling resistance. The results also showed that the vacancy-related defects tended to lower the buckling loads and buckling strains for both double-walled carbon nanotube with some regular inter-wall sp3 bonds, and double-walled carbon nanotubes.

Molecular Dynamics Study of Effects of sp3 Interwall Bridging and Initial Vacancy-Related Defects on Mechanical Properties of Double-Walled Carbon Nanotube. H.Song, X.Zha: Physica B, 2008, 403[19-20], 3798-802