Dynamics and thermodynamics of decay in charged clusters

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

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: Apr 30, 2016
• 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.
• Public URL: https://durham-repository.worktribe.com/output/1443578
• Related Public URLs: http://arxiv.org/abs/1504.00153