Neon Atoms Oscillating Inside Carbon and Boron-Nitride Nanotubes: A Fully Atomistic Molecular Dynamics Investigation

摘要

In the present work we discuss based on extensive fully atomistic moleculardynamics simulations the dynamics of Neon atoms oscillating inside(5,5)single-walled carbon nanotubes (CNTs) and boron-nitride (BNNT) ones. Ourresults show that sustained high frequency oscillatory regimes are possible fora large range of temperatures. Our results also show that the general featuresof the oscillations are quite similar to CNT and BNNT, in contrast with somespeculations in previous work literature about the importance of brokensymmetry and chirality exhibited by BNNTs.