title: Global optimization and the energy landscapes of Dzugutov clusters.
abstract: The global minima of clusters bound by a Dzugutov potential form non-compact polytetrahedral clusters mainly composed of interpenetrating and face-sharing 13-atom icosahedra. As the size increases, these icosahedral units first form linear arrays, then two-dimensional rings, then three-dimensional networks. Characterization of the energy landscapes of these clusters shows that they are particularly rough and generally exhibit a multiple-funnel topography. These results provide new insights into the structure and dynamics of bulk supercooled Dzugutov liquids and the form of the bulk phase diagram.
authors.affiliation: University Chemical Laboratory, Lensfield Road, Cambridge, UK CB2 1EW.
authors.forename: J P
authors.initials: JP
authors.lastname: Doye
authors.forename: D J
authors.initials: DJ
authors.lastname: Wales
authors.forename: S I
authors.initials: SI
authors.lastname: Simdyankin