Simulation of mechanical properties of single-walled carbon nanotubes by molecular dynamics

In this paper,the mechanical properties of single-walled carbon nanotubes(SWCNTs) under axial tension and cantilever beam models are investigated using molecular dynamics(MD) simulation method.After the MD simulation to several selected armchaired SWCNTs whose radius range from 0.35nm to 0.69nm,we find that the Young's modulus from 1.32623 TPa to 1.03947 TPa.The computational results show that the values of the young's modulus of SWCNTs are different,and the variation trend with radius is quite opposited by different models.