Electronic Resource
Springer
Journal of experimental and theoretical physics
90 (2000), S. 491-498
ISSN:
1090-6509
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract The effect of a phase transition between structures in a large cluster with a pair interatomic interaction on the thermodynamic parameters of the cluster is analyzed. The statistical parameters of a cluster consisting of 923 atoms are determined for an icosahedron and a face-centered cubic (fcc) structure. The specific heat and entropy of this cluster are calculated in the case when the transition between the icosahedron and fcc structures has the greatest effect on these parameters, so that at zero temperature this cluster has the structure of an icosahedron, and as the temperature increases to the melting point it assumes an fcc structure. Even with this, the contribution of the excitations of the atomic configurations to the thermodynamic parameters of a cluster is small compared with the excitation of vibrations in the cluster. The contribution of a configurational excitation in the thermodynamic parameters of a cluster becomes substantial for the liquid state of clusters.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1134/1.559131
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