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

Abstract

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