Physical cluster mechanics: Statics and energy surfaces for monatomic systems
Abstract
The potential energy surfaces for clusters of some three to sixty atoms under Lennard-Jones forces have been systematically explored using numerical optimization techniques. In searching for minimum-energy configurations three particularly compact non-lattice growth schemes emerge showing tetrahedral, pentagonal (D5h) and icosahedral symmetry respectively. All these systems were found to be appreciably more stable than microcrystallites based on the face-centred cubic structure while certain lattice elements were shown to be metastable for small numbers of atoms.
- Publication:
-
Advances in Physics
- Pub Date:
- March 1971
- DOI:
- 10.1080/00018737100101231
- Bibcode:
- 1971AdPhy..20..161H