2000/11/01 by Jonathan Doye, David Wales, Sergei Simdyankin
Physics and Astronomy · #cond-mat #physics.atm-clus
paper · pdf · doi:10.1039/b008881l
published as Faraday Discussions 118, 159-170 (2001) · 9 pages, 4 figures
arxiv created 2000/11/01 · arxiv updated 2009/11/30
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.