ABSTRACT
A perfect carbon nanotube (CNT) exhibits extraordinary mechanical and thermal properties. However, the presence of vacancy and Stone-Wales (SW) defects in CNTs has been determined experimentally. In this study, the effect produced by multiple SW and vacancy defects on Young’s modulus of single-walled carbon nanotubes (SWCNTs) has been studied using molecular dynamics (MD) simulation. A (5,5) armchair SWCNT of diameter 0.67 nm has been used in this work. To study the positional effects of defects, a center and a corner position have been selected and multiple defects are placed on these positions. It has been found that the reduction in Young’s modulus is more in the case of vacancy defects. Simulated results indicate that the defects placed at the center significantly decrease the modulus in comparison to SW defects.
