Flexural Wave Propagation in Single-Walled Carbon Nanotubes

In this paper, the flexural wave propagation in a single-walled carbon nanotube (SWCNT) is simulated byusing 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.