Mechanical Properties of Single-walled Carbon Nanotubes Simulated with AIREBO Force-Field

摘要

In this work we determined the mechanical properties (Young's modulus, Poisson's ratio, and shear modulus) of 400 single-walled carbon nanotubes of radii from 2.1; ((0, 5) nanotube) to 17.3 ? ((0, 45) nanotube). All nanotubes were simulated with AIREBO forcefield. It turns out that zigzag nanotubes are mechanically more resistant than armchair nanotubes.