Abstract :
The diffusion of copper nanocluster in carbon nanotube was investigated using a classical molecular dynamics simulation and three empirical potential functions. The results indicated a growth mechanism of the copper-filled ultra-thin carbon nanotubes: the copper nanoclusters inserted into carbon nanotubes swiftly migrate along the tube axis, and then the copper nanowires grow in the ultra-thin carbon nanotubes. Periodic energy barriers in the carbon nanotubes induced the directional movement of copper nanoclusters in the carbon nanotubes. The diffusion speeds of copper nanocluster in the carbon nanotube showed the Arrherius relation.
