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Please use this identifier to cite or link to this item: http://uvadoc.uva.es/handle/10324/2445
Title: Anomalous Size Dependence in the Melting Temperatures of Free Sodium Clusters: An Explanation for the Calorimetry Experiments
Authors: López, José Manuel
Aguado, Andrés
Issue Date: 2005
Publisher: The American Physical Society
Description: Producción Científica
Citation: Physical Review Letters, vol. 94, n. 23 (2005), p. 1-4
Abstract: The meltinglike transition in unsupported NaN clusters (N=55, 92, 147, 181, 189, 215, 249, 271, 281 and 299) is studied by first-principles isokinetic molecular dynamics simulations. The irregular size dependence of the melting temperatures Tm observed in the calorimetry experiments of Schmidt et al. [ Nature (London) 393 238 (1998)] is quantitatively reproduced. We demonstrate that structural effects alone can explain all broad features of experimental observations. Specifically, maxima in Tm(N) correlate with high surface stability and with structural features such as a high compactness degree.
Keywords: Calorímetros y calorimetría
Peer Review: SI
DOI: 10.1103/PhysRevLett.94.233401
Publisher Version: http://link.aps.org/doi/10.1103/PhysRevLett.94.233401
Rights Owner: © Todos los derechos reservados
Language: eng
URI: http://uvadoc.uva.es/handle/10324/2445
Rights: info:eu-repo/semantics/openAccess
Appears in Collections:DEP33 - Artículos de revista

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