Atomistic simulations of uniaxial tensile behaviors of single-walled carbon nanotubes

Atomistic simulations, using the second-generation reactive empirical bond order (REBO) potential, are performed to investigate the uniaxial tensile behaviors of single-walled carbon nanotubes (SWCNTs). It is found that the effect of the nanotube diameters on the elastic modulus, the tensile strength and the stress vs. strain relation of SWCNTs is small yet noticeable. However, the effect of the degree of helicity is significant.