Structure-dependent evaporation dynamics for the surface scattering of binary Van der Waals clusters

Molecular dynamics simulations have been performed to simulate the surface scattering of Ar827Kr110 clusters for two different initial cluster structures: one with the krypton dopants localized in the outermost cluster layers (belt structure) and one with all Kr atoms forming a core in the center of the mixed cluster (core structure). As for the experimental scattering from a graphite surface, we find that the two cluster species leave the same parent cluster with considerably different evaporation temperatures. We show that these temperatures depend crucially on the initial cluster structure and that the core configuration leads to significant cage effects.