CALCULATION OF COLLISIONAL ENERGY-TRANSFER OF THERMAL CLUSTERS
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We have studied the energy transfer between Mo clusters and the rare-gas atoms Ne, Ar and Xe. We have chosen these systems as non-trivial models of the thermalization process of metal clusters in a background gas. The energy transfer and energy transfer rate for collisions of Mo clusters with rare gas atoms are computed as functions of relative collision energy (gas temperature) and reduced mass. The dynamics of gas phase Mo clusters are simulated by molecular dynamics trajectories whose initial conditions are sampled from a distribution appropriate to thermal collisions. The simulation shows that the energy transfer is sensitive to the collision mass, and strongly coupled to the actual interaction force, where evidence for multiple collision is shown. The energy transfer rate, however, is dominated by collision frequency, i.e., the reduced collision mass. 1993 Springer-Verlag.