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Entropy 2015, 17(10), 7133-7148; doi:10.3390/e17107133

Dynamics and Thermodynamics of Nanoclusters

1
Instítuto de Física, Universidad Nacional Autónoma de México, Apdo. Post. 20-364, México D.F. 01000, Mexico
2
UMDI-Facultad de Ciencias, Universidad Nacional Autonoma de Mexico, Campus Juriquilla, Queretaro 76230, Mexico
These authors contributed equally to this work.
*
Author to whom correspondence should be addressed.
Academic Editor: Kevin H. Knuth
Received: 8 June 2015 / Revised: 22 September 2015 / Accepted: 25 September 2015 / Published: 22 October 2015
(This article belongs to the Special Issue Nanothermodynamics)
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Abstract

The dynamic and thermodynamic properties of nanoclusters are studied in two different environments: the canonical and microcanonical ensembles. A comparison is made to thermodynamic properties of the bulk. It is shown that consistent and reproducible results on nanoclusters can only be obtained in the canonical ensemble. Nanoclusters in the microcanonical ensemble are trapped systems, and inconsistencies will be found if thermodynamic formalism is applied. An analytical model is given for the energy dependence of the phase space volume of nanoclusters, which allows the prediction of both dynamical and thermodynamical properties. View Full-Text
Keywords: nanocluster; thermodynamics; heat capacity; dynamics; canonical ensemble; microcanonical ensemble nanocluster; thermodynamics; heat capacity; dynamics; canonical ensemble; microcanonical ensemble
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Michaelian, K.; Santamaría-Holek, I. Dynamics and Thermodynamics of Nanoclusters. Entropy 2015, 17, 7133-7148.

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