Molecular dynamics simulations were used to study the relationship between electron irradiation defects and applied stresses in single-walled carbon nanotubes. The electron irradiation effect was modeled using the Monte Carlo method and binary collision theory. The simulations showed that the number of knock-on defects was not significantly affected by the applied stress. Electron collisions produced early-stage defects such as bond-breaking and punched-out atoms. The applied stresses became non-equilibrium and concentrated around the defect site. The biased stresses became driving forces and caused bond shifts and rotations, which resulted in the formation of pentagon-heptagon pairs and Stone-Wales defects.

Correlation Between Electron Irradiation Defects and Applied Stress in Carbon Nanotubes: a Molecular Dynamics Study. M.Yasuda, Y.Chihara, K.Tada, H.Kawata, Y.Hirai: Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures, 2013, 31[6], 6FF06