Predicted mechanical properties of carbon nanotube-based structures

Carbon nanoring (CNR) with heptagon-pentagon defects is formed by single-walled carbon nanotubes (SWCNTs) (5, 5) and (9, 0) and each junction is constructed by connecting a heptagonal and a pentagonal carbon-atom ring. Then cutting the ring into two pieces along the junction, one pitch of carbon nanocoil will be obtained by constraining one end and stretching the other end along the helical axis. Molecular mechanics (MM) simulations are employed to investigate the mechanical characteristics of CNRs and nanocoils with and without defects. The Young's modulus of the nanoring with defects is about 282 GPa, which is larger than that of perfect nanorings with the similar ring radii, such as (5, 5) and (9, 0). The spring stiffness of the carbon nanocoil is calculated with a maximum value of 2.08 N/m, and it is found to be nonlinear and decreases with the increase in the relative elongation. © 2014 Imperial College Press.