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Dynamics and thermodynamics of decay in charged clusters

Miller, Mark A.; Bonhommeau, David A.; Moerland, Christian P.; Gray, Sarah J.; Gaigeot, Marie-Pierre

Authors

David A. Bonhommeau

Christian P. Moerland

Sarah J. Gray

Marie-Pierre Gaigeot



Abstract

We propose a method for quantifying charge-driven instabilities in clusters, based on equilibrium simulations under confinement at constant external pressure. This approach makes no assumptions about the mode of decay and allows different clusters to be compared on an equal footing. A comprehensive survey of stability in model clusters of 309 Lennard-Jones particles augmented with Coulomb interactions is presented. We proceed to examine dynamic signatures of instability, finding that rate constants for ejection of charged particles increase smoothly as a function of total charge with no sudden changes. For clusters where many particles carry charge, ejection of individual charges competes with a fission process that leads to more symmetric division of the cluster into large fragments. The rate constants for fission depend much more sensitively on total charge than those for ejection of individual particles.

Citation

Miller, M. A., Bonhommeau, D. A., Moerland, C. P., Gray, S. J., & Gaigeot, M. (2015). Dynamics and thermodynamics of decay in charged clusters. Molecular Physics, 113(17-18), 2428-2434. https://doi.org/10.1080/00268976.2015.1037805

Journal Article Type Article
Acceptance Date Apr 1, 2015
Online Publication Date Apr 30, 2015
Publication Date Sep 1, 2015
Deposit Date Apr 2, 2015
Publicly Available Date Mar 28, 2024
Journal Molecular Physics
Print ISSN 0026-8976
Electronic ISSN 1362-3028
Publisher Taylor and Francis Group
Peer Reviewed Peer Reviewed
Volume 113
Issue 17-18
Pages 2428-2434
DOI https://doi.org/10.1080/00268976.2015.1037805
Keywords Charged clusters, Instability, Simulation, Lennard-Jones, Rayleigh limit.
Related Public URLs http://arxiv.org/abs/1504.00153

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