We use classical molecular dynamics simulations to investigate temperature control of unsupported clusters using a noble gas atmosphere. The simulations are performed using a many-body interaction scheme for the intra-cluster potential, while a pairwise Lennard-Jones potential is used to model the interaction between the noble gas and the clusters. In order to isolate different parameters determining the energy exchange efficiency, we have studied the energy transfer with respect to (i) impact parameter, (ii) cluster temperature, (iii) noble gas temperature, (iv) gas–metal interaction strength, (v) metal potential, and (vi) noble gas mass. With these results, we are able to estimate the number of collisions needed to equilibrate a cluster at a given gas temperature. Our estimates are confirmed by simulations of cluster cooling in a noble gas atmosphere.
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22 August 1997
Research Article|
August 22 1997
Noble gas temperature control of metal clusters: A molecular dynamics study
Jan Westergren;
Jan Westergren
Department of Physics, Göteborg University and Chalmers University of Technology, S-412 96 Göteborg, Sweden
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Henrik Grönbeck;
Henrik Grönbeck
Department of Physics, Göteborg University and Chalmers University of Technology, S-412 96 Göteborg, Sweden
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Seong-Gon Kim;
Seong-Gon Kim
Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824-1116
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David Tománek
David Tománek
Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824-1116
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J. Chem. Phys. 107, 3071–3079 (1997)
Article history
Received:
April 23 1997
Accepted:
May 19 1997
Citation
Jan Westergren, Henrik Grönbeck, Seong-Gon Kim, David Tománek; Noble gas temperature control of metal clusters: A molecular dynamics study. J. Chem. Phys. 22 August 1997; 107 (8): 3071–3079. https://doi.org/10.1063/1.474662
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