This study used the Tersoff–Brenner interaction potential function in a series of molecular dynamic simulations which investigated the mechanical properties under tensile loading of (10,0) zig-zag, (8,3) chiral and (6,6) armchair single-walled C nanotubes of similar radii. The Young's modulus values of the (10,0), (8,3) and (6,6) nanotubes were determined to be approximately 0.92, 0.95 and 1.03TPa, respectively. Of these nanotubes, the results revealed that the (6,6) nanotube possesses the best tensile strength and toughness properties under tension. Although it was noted that under small tensions, the mechanical properties such as Young's modulus were essentially insensitive to helicity, under larger plastic deformations, they may be influenced by helicity effects. Finally, the simulations demonstrated that the values of the majority of the considered mechanical properties decrease with increasing temperature and increasing vacancy percentage.

Effects of Temperature and Vacancy Defects on Tensile Deformation of Single-Walled Carbon Nanotubes. Y.R.Jeng, P.C.Tsai, T.H.Fang: Journal of Physics and Chemistry of Solids, 2004, 65[11], 1849-56