Collisional dynamics of C₆₀ with noble-gas-atoms studied by molecular dynamics with empirical two- and three-body forces

The dynamics of C₆₀-rare gas collisions is studied using molecular dynamics with empirical two- and three-body forces. The carbon potential is chosen to be able to reproduce the experimentally determined bond lengths and cluster radius of C₆₀ as well as the structure of small carbon clusters. The reaction channels observed can be divided into four categories: deep inelastic scattering, fragmentation, capture and inelastic scattering. The temperature dependence of the threshold energy for capture is studied and compared with available experimental data. The calculations predict a maximum in the lowest tail of the kinetic-energy distribution of the projectile with a transition from a single- to a double-humped maximum with increasing collision energy and, in addition, may provide a natural interpretation for the, as yet unexplained, structure in the experimental shapes.