
doi: 10.1063/1.451483
The experimental results from Holmlid et al. (1982) for Br2 inelastic scattering from graphite surfaces were used as a reference point for the Monte Carlo classical trajectory calculations presented here. A one-dimensional potential energy model of the scattering system was constructed. No vibrational or rotational degrees of freedom for Br2 were included. The trajectories were generally found to be ‘‘long-lived.’’ Good agreement with experiments was found for six simulated C atoms moving in phase, in the case of one simulated C layer, and for two to three C atoms in each layer, in the case of two simulated vibrating layers. In these cases one-fourth of the Br2 molecules made large jumps on the surface and all molecules were hit more than once by the vibrating C atoms. The results found are in agreement with the one-phonon transfer model by Holmlid et al. Both models demonstrate agreement with experiments by simulating long interaction times and a more or less ‘‘statistical’’ energy transfer.
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