Morse Clusters
The Morse potential
has a single variable parameter that determines the range of the potential.
This parameter gives Morse clusters a much greater variety of structural
behaviour than Lennard-Jones clusters.
Depending on the range of the potential the clusters can be icosahedral, decahedral,
close-packed (fcc, hcp or some mixture) or even polytetrahedral (involving defects called
disclination lines).
Because of this diversity Morse clusters provide:
A set of reasonable structures for the common morphologies in metal clusters.
It is hoped that the database will prove useful in the interpretation of
the indirect structural information available from experiments on size-selected clusters,
and in providing a reasonable set of starting structures for theoretical studies.
A rigorous test of a global optimization algorithm. The location of all
the global minimum at 
=3,
6, 10 and 14 for clusters with up to 80 atoms
would be a significant achievement and one which no unbiased global optimization
algorithm has yet managed.
More information on the global minima can be accessed from the following
pages:
Points files for each minimum are accessible from the Table.
The work described on the above pages has been published in
- J.P.K. Doye, D.J. Wales and R.S. Berry,
J. Chem. Phys. 103, 4234-4249 (1995)
The effect of the range of the potential on the
structures of clusters
- D.J. Wales and J.P.K. Doye, in `Large Clusters of Atoms and Molecules'
(NATO ASI Series E: Vol. 313), ed. T.P. Martin
(Kluwer Academic, Dordrecht, 1996), pp. 241-279
Theoretical predictions of structure and thermodynamics
in the large cluster regime
- J.P.K. Doye and D.J. Wales,
J. Phys. B, 29, 4859-4894 (1996)
The effect of the range of the potential on the structure
and stability of simple liquids:
from clusters to bulk, from sodium to C60
- J.P.K. Doye and D.J. Wales,
J. Chem. Soc., Faraday Trans., 93, 4233-4244 (1997).
Structural consequences of the range of the interatomic potential:
a menagerie of clusters
Unabridged version of this paper:
html,
postscript,
gzipped postscript.
Some of the results in the later papers supersede earlier results.
And some of the results in the tables supersede these papers.
If you can improve on any of the results given in these pages please let us know
and we will update the database.
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Return to The Cambridge Cluster Database.
Jon Doye © 1997
