Molecular dynamics study of C-60-graphite interaction

Molecular dynamics simulations are performed for the collision of C-60 With a graphite (0001) surface. TLHT model potential combined with Lennard-Jone s potential has been used to describe the interaction between carbon atoms. The impact energy of C-60, E-in, ranges from 10 to 60 eV, stimulated by th e fact that interesting experimental results in this energy region were obt ained recently. It is shown that in this energy region, the recoiled C-60 i s nearly nondeformed. Its internal excitation energy is found to be much lo wer than that at the medium impact energy (100-300 eV, ME). Furthermore, th e rebounding energy is found to be dependent on the impact energy of C-60 T his behavior is quite different from that at ME. Our simulation results are in good agreement with the recent experimental observations. These rebound ing characteristics can be explained by the energy partition in a two-step collision model. This study is of significance in exploring the C-60 scatte ring features. (C) 1999 Elsevier Science B.V. All rights reserved.