Axial Force Change Due to Axial-Strain-Induced Torsional Rotation of Single-Walled Carbon Nanotubes

Abstract

We investigated the torsional deformations of single-walled carbon-nanotubes under axial strains via an atomistic simulation method. The simulation cases with fixed edges were compared to those with relaxed edge in order to investigate the effect due to the axial-strain-induced torsion response. The strain energy and the axial force changes due to the axial-strain-induced torsion response were greatly influenced on the chirality of chiral single-walled carbon-nanotubes but were negligible for achiral single-walled carbon-nanotubes. The axial-force differences due to the axial-strain-induced torsion response for the chiral single-walled carbon-nanotubes increased with increasing axial strain.