A model metal potential exhibiting polytetrahedral clusters
Jonathan P. K. Doye
J. Chem. Phys. 119, 1136-1147 (2003)
AbstractPutative global minima have been located for clusters interacting with an aluminium glue potential for N<190. Virtually all the clusters have polytetrahedral structures, which for larger sizes involve an ordered array of disclinations that are similar to those in the Z, H and sigma Frank-Kasper phases. Comparisons of sequences of larger clusters suggest that the majority of the global minima will adopt the bulk face-centred-cubic structure beyond N=500.
The full paper is available from JCP Online and the Los Alamos preprint server (and mirrors: UK, France, Germany).
See also the entry for Aluminium clusters in the Cambridge Cluster Database.