Rare gas clusters: Solids, liquids, slush, and magic numbers

作者: Thomas L. Beck , Julius Jellinek , R. Stephen Berry

DOI: 10.1063/1.453602

关键词:

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

参考文章(33)
W. Damgaard Kristensen, E. J. Jensen, R. M. J. Cotterill, Thermodynamics of small clusters of atoms: A molecular dynamics simulation Journal of Chemical Physics. ,vol. 60, pp. 4161- 4169 ,(1974) , 10.1063/1.1680883
S. A. Rice, T. M. Switz, F. C. Andrews, P. Gray, I. Z. Fisher, Statistical theory of liquids ,(1964)
Julius Jellinek, Thomas L. Beck, R. Stephen Berry, Solid–liquid phase changes in simulated isoenergetic Ar13 Journal of Chemical Physics. ,vol. 84, pp. 2783- 2794 ,(1986) , 10.1063/1.450303
J. Farges, M. F. de Feraudy, B. Raoult, G. Torchet, Noncrystalline structure of argon clusters. I. Polyicosahedral structure of ArN clusters, 20<N<50 Journal of Chemical Physics. ,vol. 78, pp. 5067- 5080 ,(1983) , 10.1063/1.445375
N. Quirke, Ping Sheng, The melting behavior of small clusters of atoms Chemical Physics Letters. ,vol. 110, pp. 63- 66 ,(1984) , 10.1016/0009-2614(84)80147-5
R. D. Etters, Jaya Kaelberer, Thermodynamic properties of small aggregates of rare-gas atoms Physical Review A. ,vol. 11, pp. 1068- 1079 ,(1975) , 10.1103/PHYSREVA.11.1068
Terrell L. Hill, Thermodynamics of Small Systems ,(2002)
Edward J. Valente, Lawrence S. Bartell, Electron diffraction studies of supersonic jets. VI. Microdrops of benzene Journal of Chemical Physics. ,vol. 80, pp. 1451- 1457 ,(1984) , 10.1063/1.446892
R. D. Etters, Jaya Kaelberer, On the character of the melting transition in small atomic aggregates Journal of Chemical Physics. ,vol. 66, pp. 5112- 5116 ,(1977) , 10.1063/1.433769
Thomas A. Weber, Frank H. Stillinger, Molecular dynamics study of ice crystallite melting The Journal of Physical Chemistry. ,vol. 87, pp. 4277- 4281 ,(1983) , 10.1021/J100244A057