Cross-Sectional Deformation in Multi-Walled Carbon Nanotubes under Hydrostatic Pressure

This contribution provides simulated results of cross-sectional deformations observed in carbon nanotubes under high pressure. Molecular dynamics (MD) simulations were performed to explore radial buckling characteristics of multi-walled carbon nanotubes, and confirmed a variety of large-amplitude deformation modes. The energetically stable deformation mode turned out to be strongly dependent on the diameter of the innermost tube and the number of concentric walls. Critical buckling pressure obtained by MD simulations was compared with that estimated from a continuum elastic approximation, by which the validity of the continuum approximation was assessed.