Molecular dynamics simulation of C ₂₀ fullerene

The thermodynamic properties and the mechanical stability of the C₂₀ molecule are studied by means of molecular dynamics simulations. At the temperature ~1900 K, the C₂₀ is undergoing the transition from a solid-like to a liquid-like phase corresponding to δ=0.104. As the temperature increases to 3370 K, C₂₀ is found to be still undissociated with many 'holes' in the cage corresponding to δ=0.117. The C₂₀ can rebound as an intact cage in the case of the collision of C₂₀ with a graphite (0001) surface when the incident energy is less than 25 eV. C₂₀ will rebound with a broken cage from the surface as the energy exceeds 25 eV.