Molecular dynamics simulation of C-20 fullerene

The thermodynamic properties and the mechanical stability of the C-20 molec ule are studied by means of molecular dynamics simulations. At the temperat ure similar to 1900 K, the C-20 is undergoing the transition from a solid-l ike to a Liquid-Like phase corresponding to delta = 0.104. As the temperatu re increases to 3370 K, C-20 is found to be still undissociated with many ' holes' in the cage corresponding to delta = 0.117. The C-20 can rebound as an intact cage in the case of the collision of C-20 with a graphite (0001) surface when the incident energy is less than 25 eV. C-20 will rebound with a broken cage from the surface as the energy exceeds 25 eV. (C) 1999 Elsev ier Science B.V. All rights reserved.