Molecular dynamics simulation of impact response of buckyballs

The dynamic impact responses of buckyballs (from C60 to C720) are investigated using molecular dynamics (MD) simulations. With respect to different buckling characteristics, the fullerenes may be divided into three categories. Upon the ricochet of the impactor, the deformation of the smaller buckyballs fully recovers whereas the inverted buckling morphology of the larger buckyballs remains. Thus, energy dissipation is more prominent in the larger fullerenes, and the percentage of dissipated energy is also larger upon higher speed impact. The present study may provide some preliminary insights on employing fullerenes as advanced energy dissipation materials.

► The dynamic impact responses of fullerenes through systematic MD simulations.
► Three different impact behaviors are identified.
► Energy dissipation is more prominent in the larger fullerenes, and the percentage of dissipated energy is also larger upon higher speed impact.