Molecular Dynamics for Elastic and Plastic Deformation of a Single-Walled Carbon Nanotube Under Nanoindentation

Mechanical characteristics of a suspended (10,10) single-walled carbon nanotube (SWCNT) during atomic force microscopy (AFM) nanoindentation are investigated at different temperatures by molecular dynamics simulations. The results indicate that the Young modulus of the (10,10) SWCNT under temperatures of 300-600 K is 1.2-1.3 TPa. As the temperature increases, the Young modulus of the SWCNT increases, but the axial strain of the SWCNT decreases. The strain-induced spontaneous formation of the Stone-Wales defects and the rippled behaviour under inhomogeneous stress are studied. The rippled behaviour of the SWCNT is enhanced with the increasing axial strain. The adhesive phenomenon between the probe and the nanotube and the elastic recovery of the nanotube during the retraction are also investigated.