Nanowelding of Single Walled Carbon Nanotubes onto Electrodes Using Molecular Dynamics Method

Abstract

Nanowelding system is set up to investigate the welding process of nickel electrodes to single walled carbon nanotubes (SWCNTs) with molecular dynamics method. This system consists of C-C, C-Ni, Ni-Ni subsystems. The interaction of C-C, C-Ni Ni-Ni are modeled by adaptive intermolecular reactive empirical bonder order (AIREBO) potential, Lennard-Jones (LJ) potential, as well as embedded atomic method (EAM) model respectively. The dynamic process of nanowelding at different temperatures and times is analyzed and described completely at atomistic length scales. The simulation results indicate that the nanowelding could be accomplished at 1450k which is far lower than the melting point of nickel.