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Dynamics and thermodynamics of decay in charged clusters.

Miller, Mark A. and Bonhommeau, David A. and Moerland, Christian P. and Gray, Sarah J. and Gaigeot, Marie-Pierre (2015) 'Dynamics and thermodynamics of decay in charged clusters.', Molecular physics., 113 (17-18). pp. 2428-2434.

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.

Item Type:Article
Keywords:Charged clusters, Instability, Simulation, Lennard-Jones, Rayleigh limit.
Full text:(NA) Not Applicable
Download PDF (arXiv version)
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Status:Peer-reviewed
Publisher Web site:http://dx.doi.org/10.1080/00268976.2015.1037805
Publisher statement:This is an Accepted Manuscript of an article published by Taylor & Francis Group in Molecular Physics: An International Journal at the Interface Between Chemistry and Physics on 30/04/2015, available online at: http://www.tandfonline.com/10.1080/00268976.2015.1037805.
Date accepted:01 April 2015
Date deposited:No date available
Date of first online publication:30 April 2015
Date first made open access:No date available

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