Powered by OpenAIRE graph
Found an issue? Give us feedback
addClaim

Inelastic scattering of Br2 from graphite surfaces: A Monte Carlo classical trajectory study

Authors: Gunnar Nyman; Leif Holmlid;

Inelastic scattering of Br2 from graphite surfaces: A Monte Carlo classical trajectory study

Abstract

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.

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    6
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
6
Average
Top 10%
Average
Upload OA version
Are you the author of this publication? Upload your Open Access version to Zenodo!
It’s fast and easy, just two clicks!