The dynamics simulation of Ne atom injected into single-wall carbon nanotube

The dynamical processes of Ne atom injected into single-wall carbon nanotube (SWCNT) are modeled with molecular dynamics simulations. The threshold energies to encapsulate rare-gas atoms in SWCNT are presented. The range of tube radius for stable oscillation is revealed, which is independent of the type of carbon nanotubes. And the oscillatory frequency is sensitive to the change in the diameter, the length and chirality of the tube.