Molecular Dynamics Simulation Study of Carbon Nanotube Welding under Electron Beam Irradiation

Abstract

The simulation of electron beam induced welding of crossed carbon nanotubes is considered with classical molecular dynamics simulations. Covalent junctions are predicted to form between various types of carbon nanotubes that contain many defects and are likely to be representative of experimentally welded nanotubes under highly nonequilibrium synthesis conditions. The effect of the junction structure and hydrogen termination of dangling bonds on the mechanical responses of the junctions is also considered.