Dr Mark Miller m.a.miller@durham.ac.uk
Associate Professor
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 |
Files
arXiv version
(283 Kb)
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Copyright Statement
arXiv version
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