Session J15 - Poster Session II.
POSTER session, Sunday morning, April 20
Congressional Hall, Renaissance
Collisions of (\mboxLa@C_82)^+ with various atomic targets have been investigated using molecular dynamics. We use the many-body carbon potential of Takai et~al.(J.\ Phys.\ Chem.\ \bfseries 94), 4480 (1990), which represents the energy of all of the carbon atoms as a sum over all pairs and triples. The other interactions are modeled using pairwise Morse or Born-Mayer exponential potentials. For each of several selected impact parameters, we calculate the trajectories for several randomly selected initial orientations of the fullerene. Immediately after the collision, the fragmentation pattern of the fullerene is calculated. From this data, the cross section for the production of various fragments is calculated. Initial calculations for Ar projectiles and c.~m.\ energy of 2.8 keV have shown trajectories that lead to the ejection of the La with the loss of only a small number of C~atoms. Further results of the simulation will be compared with recent experimental data.(Lorents et~al., Chem.\ Phys.\ Lett.\ \bfseries 236), 141 (1995).