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Anomalous entropy of small clusters of atoms

✍ Scribed by J.J. Burton

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
180 KB
Volume
7
Category
Article
ISSN
0009-2614

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✦ Synopsis

The vibrational entropies of small clusters of atoms have been calculated for clusters of 13 to 87 atoms in both cubic and hexagonal close packed arrangements. The entropy per atom is not a monotonic function of the cluster size and shows a maximum around 40 atoms and a minimum in the range 50-80 atoms. Recently, the existence of very large fast computing machines has made it possible to calculate exactly the thermodynamic properties of very small systems and of surfaces. These studies are of interest as they test classical theories of small drops and surfaces. Allen and DeWette [l] have investigated the surface thermodynamic properties of infinite slabs. Dickey and P&kin [2,3] have studied the vibrational frequencies of rectangular box shaped systems. This author [4,5] has investigated the heat capacity,

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