Crossref journal-article
AIP Publishing
The Journal of Chemical Physics (317)
Abstract

Simulations by constant energy molecular dynamics have been performed for numerous clusters in the size range N=7–33. Detailed investigations have been conducted on the portions of the caloric curves in which the transition between rigid and nonrigid behavior occurs, to study the N dependence of the solid–liquid phase change. Clusters of several sizes display a coexistence of forms, each with a characteristic mean temperature, over a well-defined energy range in the transition region, as had been observed for the Ar13 cluster. Within the coexistence region, the high temperature form is solid-like and the low temperature form behaves in a liquid-like fashion. The caloric curves of state for these clusters take on two-valued forms when averages are calculated for each of the two ‘‘phases’’ separately; the two branches are smooth extensions of the curves from the single phase regions. Clusters of other sizes do not display this clear coexistence of phases, but appear to pass through a ‘‘slush-like’’ state during the melting transition. The coexistence behavior is not a smooth function of N. The clusters Ar13 and Ar19, and to a certain extent Ar7, display high stability properties indicative of magic number behavior.

Bibliography

Beck, T. L., Jellinek, J., & Berry, R. S. (1987). Rare gas clusters: Solids, liquids, slush, and magic numbers. The Journal of Chemical Physics, 87(1), 545–554.

Authors 3
  1. Thomas L. Beck (first)
  2. Julius Jellinek (additional)
  3. R. Stephen Berry (additional)
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Dates
Type When
Created 23 years, 1 month ago (July 26, 2002, 9:10 a.m.)
Deposited 1 year, 6 months ago (Feb. 10, 2024, 1:14 a.m.)
Indexed 4 weeks ago (July 30, 2025, 9:53 a.m.)
Issued 38 years, 1 month ago (July 1, 1987)
Published 38 years, 1 month ago (July 1, 1987)
Published Print 38 years, 1 month ago (July 1, 1987)
Funders 0

None

@article{Beck_1987, title={Rare gas clusters: Solids, liquids, slush, and magic numbers}, volume={87}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.453602}, DOI={10.1063/1.453602}, number={1}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Beck, Thomas L. and Jellinek, Julius and Berry, R. Stephen}, year={1987}, month=jul, pages={545–554} }