Flexural wave propagation in single-walled carbon nanotubes

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Original languageEnglish
Pages (from-to)581-586
Journal / PublicationJournal of Computational and Theoretical Nanoscience
Issue number4
Publication statusPublished - Apr 2008


In this paper, the flexural wave propagation in a single-walled carbon nanotube (SWCNT) is simulated by using molecular dynamics (MD) based on a second-generation reactive empirical bond order (REBO) potential. The MD results indicate that the nonlocal elastic Timoshenko beam theory can provide a better prediction for the dispersion of flexural waves in an armchair (5,5) and an armchair (10, 10) single-walled carbon nanotubes than other beam theories when the wave number is so large that the microstructure of carbon nanotubes has a significant influence on the flexural wave dispersion. It is not very appropriate for a SWCNT with a big radius to employ the nonlocal elastic Timoshenko beam theory when the wave number is very large. We also compare the results obtained from MD based on-two different empirical interatomic potentials. The results show that the phase velocity based on the second-generation REBO is larger than that which is based on the first-generation REBO at the same period. The microstructure of carbon nanotubes plays a great role in the flexural wave propagation. Copyright © 2008 American Scientific Publishers All rights reserved.

Research Area(s)

  • Carbon nanotube, Molecular dynamics, Strain gradient, Timoshenko beam, Wave dispersion