Melting of sodium clusters

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dc.creatorReyes-Nava, Juan A.
dc.creatorGarzon, Ignacio L.
dc.creatorBeltran, Marcela R.
dc.creatorMichaelian, Karo
dc.date2002-07-17
dc.date.accessioned2026-07-07T05:47:51Z
dc.date.available2026-07-07T05:47:51Z
dc.descriptionThermal stability properties and the melting-like transition of Na_n, n=13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters is mimicked by a many-body Gupta potential based on the second moment approximation of a tight-binding Hamiltonian. The characteristics of the solid-to-liquid transition in the sodium clusters are analyzed by calculating physical quantities like caloric curves, heat capacities, and root-mean-square bond length fluctuations using simulation times of several nanoseconds. Distinct melting mechanisms are obtained for the sodium clusters in the size range investigated. The calculated melting temperatures show an irregular variation with the cluster size, in qualitative agreement with recent experimental results. However, the calculated melting point for the Na_55 cluster is about 40 % lower than the experimental value.
dc.description10 pages, 4 figures, accepted for publication in Revista Mexicana de Fisica
dc.identifierhttps://arxiv.org/abs/physics/0207068
dc.identifierhttp://arxiv.org/abs/physics/0207068
dc.identifierRevista Mexicana de Fisica 48, 450 (2002).
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/84812
dc.subjectAtomic and Molecular Clusters
dc.subjectMaterials Science
dc.subjectChemical Physics
dc.titleMelting of sodium clusters
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