Investigation of geometric shell aluminum clusters using the Gupta many-body potential

A many-body Gupta-type potential, derived by fitting bulk experimental para meters for aluminum, has been used to study geometric shell clusters of alu minum with icosahedral, decahedral, fcc, and bcc packing. The stabilities o f fcc-like octahedral clusters are compared with cuboctahedral and regularl y truncated octahedral clusters. A stepwise pattern of truncation is observ ed and truncated octahedra are predicted to remain the preferred fcc-like s tructure until complete transition to the bulk fcc lattice. (C) 2000 Americ an Institute of Physics. [S0021-9606(00)71110-X].