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Entropy 2010, 12(5), 1303-1324; doi:10.3390/e12051303

Entropy and Phase Coexistence in Clusters: Metals vs. Nonmetals

1,*  and 2
1 Department of Chemistry, University of Chicago, 929 East 57th Street, Chicago, IL 60637, USA 2 Joint Institute for High Temperatures, Izhorskaya 13/19, Moscow 127412, Russia
* Author to whom correspondence should be addressed.
Received: 10 March 2010 / Revised: 18 May 2010 / Accepted: 19 May 2010 / Published: 25 May 2010
(This article belongs to the Special Issue Configurational Entropy)
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Small clusters violate the Gibbs phase rule by exhibiting two or more phases in thermodynamic equilibrium over bands of temperature and pressure. The reason is the small number of particles comprising each system. We review recent results concerning the size ranges for which this behavior is observable. The principal characteristic determining the coexistence range is the transitions entropy change. We review how this happens, using simulations of 13-atom Lennard-Jones and metal clusters to compare dielectric clusters with the more complex clusters of metal atoms. The dominating difference between the narrower coexistence bands of dielectrics and the wider bands of metal clusters is the much higher configurational entropy of the liquid metal clusters.
Keywords: solid-liquid coexistence; cluster phase changes; metal clusters; dielectric clusters; entropy solid-liquid coexistence; cluster phase changes; metal clusters; dielectric clusters; entropy
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Berry, R.S.; Smirnov, B.M. Entropy and Phase Coexistence in Clusters: Metals vs. Nonmetals. Entropy 2010, 12, 1303-1324.

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