Effect of Potential Energy Distribution on the Melting of Clusters

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© 2001 American Physical Society (APS). This is the accepted version of the following article: Joo Lee, Young & Lee, Eok-Kyun & Kim, Sehun & Nieminen, Risto M. 2001. Effect of Potential Energy Distribution on the Melting of Clusters. Physical Review Letters. Volume 86, Issue 6. 999-1002. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.86.999, which has been published in final form at http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.86.999.
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School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

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en

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999-1002

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Physical Review Letters, Volume 86, Issue 6

Abstract

We find that the potential energy distribution of atoms in clusters can consistently explain many important phenomena related to the phase changes of clusters, such as the nonmonotonic variation of melting temperature with size, the dependence of melting, boiling, and sublimation temperatures on the interatomic potentials, the existence of a surface-melted phase, and the absence of a premelting peak in heat capacity curves. We also find a new type of premelting mechanism in double icosahedral Pd19 clusters, where one of the two internal atoms escapes to the surface at the premelting temperature.

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Joo Lee, Young & Lee, Eok-Kyun & Kim, Sehun & Nieminen, Risto M. 2001. Effect of Potential Energy Distribution on the Melting of Clusters. Physical Review Letters. Volume 86, Issue 6. 999-1002. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.86.999.