Molecular dynamics simulations of bending behavior of tubular graphite cones

The bending properties of tubular graphite cones (TGC) were investigated using molecular dynamics simulations. The bonding and non-bonding atomic interactions were described by using second-generation reactive bond-order potential (2GREBO) and four different van der Waals (vdW) potentials, respectively. The vdW interactions were found to be effective, in determining the bending behaviors of a TGC. A TGC with a high cone apex angle is preferred, due to its improved lateral bending stiffness and lower stress and strain levels near the tip end. The results show that an increase in the diameter of innermost nanotube effectively increases the bending stiffness of TGCs.