The Dynamics of Structural Transitions in Sodium Chloride Clusters

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dc.creatorDoye, Jonathan
dc.creatorWales, David
dc.date1999-05-27
dc.date.accessioned2026-07-07T03:13:34Z
dc.date.available2026-07-07T03:13:34Z
dc.descriptionIn recent experiments on sodium chloride clusters structural transitions between nanocrystals with different cuboidal shapes were detected. Here we presents results for the thermodynamics and dynamics of one of these clusters, (NaCl)35Cl-. As the time scales for the structural transitions can be much longer than those accessible by conventional dynamics simulations, we use a master equation to describe the probability flow within a large sample of potential energy minima. We characterize the processes contributing to probability flow between the different nanocrystals, and obtain rate constants and activation energies for comparison with the experimental values.
dc.description11 pages, 8 figures, revtex
dc.identifierhttps://arxiv.org/abs/cond-mat/9905407
dc.identifierhttp://arxiv.org/abs/cond-mat/9905407
dc.identifierJ. Chem. Phys. 111, 11070-11079 (1999)
dc.identifierdoi:10.1063/1.480465
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/29342
dc.subjectCondensed Matter
dc.subjectAtomic and Molecular Clusters
dc.titleThe Dynamics of Structural Transitions in Sodium Chloride Clusters
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