Specific heat in the thermodynamics of clusters

Authors:
Peter Borrmann   Phone: +49-441-798-3362   Fax: +49-441-798-3201
Dorian Gloski
Eberhard R. Hilf   Phone: +49-441-798-2543   Fax: +49-441-798-3201

Files:
Surface Review and Letters 3, p. 103 (1996) (for internal use only !)
chem-ph/9412003 (PrePrint)

Date: 1996

Article: published in Surface Review and Letters 3, p. 103 (1996)

Abstract:
The thermodynamic properties such as the specific heat are uniquely determined
by the second moments of the energy distribution for a given ensemble
averaging. However for small particle numbers the results depend on the
ensemble chosen. We calculated the specific heat for both the canonical and 
the microcanonical ensemble for the same van der Waals clusters. The
differences of the resulting thermodynamic observables for the two ensembles
are calculated. We demonstrate how for increasing particle number these terms
vanish for bulk material. For the calculation of the specific heat within  the
microcanonical ensemble we give a new method based on an analysis of
histograms.

DC-Metatags done by WUFI 1.1
Metadata by Thomas Severiens on 20 November 1998
Supporting work done by Sandra Valeska Bergmann.