Oscillation of gas molecules in carbon nanotubes

  • Lü Y
  • Chen M
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The dynamics of N(2) molecules blocked in open single-walled carbon nanotubes is investigated using molecular dynamics simulations. It is found that periodic axial and radial oscillations with extremely high frequency exist widely among these molecules. Between the two nanotube ends, N(2) molecules oscillate along or parallel to the nanotube axis, and their frequencies show an inverse length dependence in the range of 22 to 64 GHz. Accompanying the axial oscillation, the molecules oscillate radially with small amplitudes in the lateral potential well. The corresponding frequencies have a magnitude of several hundred gigahertz, and the maximum exceeds 1800 GHz. These periodic oscillations contribute to the molecular blockage in nanotubes.

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  • Y. J. Lü

  • M. Chen

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