Molecular dynamics study of electron irradiation effects on mechanical properties of carbon nanotubes

Abstract

Molecular dynamics simulations are carried out to investigate electron irradiation effects on mechanical properties of single-walled carbon nanotubes. Electron irradiation effects are introduced by the Monte Carlo method using the elastic collision cross section. After the irradiation, the mechanical properties, such as tensile, compressive and torsional properties, are investigated. The degradation of the mechanical strength of the nanotube irradiated at higher temperature is reduced. The simulation reveals that the recombinations of dangling bonds during irradiation and the formation of amorphous network along the cylindrical shape are the key mechanism of the robustness of the nanotubes during electron irradiation at high temperature.