Temperature and Chirality Dependent Mechanical Properties of Single-Walled Carbon Nanotube

Presented herein is an investigation into the stretching and fracture behavior of single-walled carbon nanotubes (SWCNT) subjected to axial tensile load at various temperatures. This study is carried out using molecular dynamics (MD) simulation at temperatures ranging from 200 K to 2200 K. The authors find that single-walled carbon nanotubes exhibit obvious temperature and chirality dependent properties. The values of tensile strain and tensile strength of zigzag (12, 0) and armchair (7, 7) SWCNTs with similar radii decrease with increase in temperature, but decline slightly on different slopes. The stress-strain curves of zigzag and armchair SWCNTs vary significantly when the temperature is more than 1200 K. Our studies suggest temperature and chirality play an important role in determining the tensile strength and tensile strain of SWCNT.