C.-D. Wu, T.-H. Fang and Y.-J. Lin
Journal of Molecular Modeling, 24, 222 (2018).
The effects of contact length, crystal orientation, and material type of welded pairs on side-to-side nanowelding are studied using quasi-continuum simulations. These effects are investigated in terms of atomic trajectories, strain distributions, and stress-strain curves. The simulation results show that the welding strength of welded pairs increases with decreasing contact length, regardless of their structural orientations. Welding with structural orientations of [11 (0) over bar] (for one nanowire) and  (for the other nanowire) results in a significant yield phenomenon during the separation process due to the migration of the deformation region from the root of tips to the interior of the top tip above the welding interface. Welding with structural orientations of  and [11 (0) over bar] results in relatively poor elasticity and ductility. For welding with one type of material, during the separation process, damage may occur at the top tip instead of at the welding interface. The welding strength of the Ni-Ni welded pair is higher than those of the Ni-Cu and Cu-Cu welded pairs.