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Global Optimization and the Energy Landscapes of Dzugutov Clusters | | Jonathan Doye
; David Wales
; Sergei Simdyankin
; | | Date: |
1 Nov 2000 | | Journal: | Faraday Discussions 118, 159-170 (2001) DOI: 10.1039/b008881l | | Subject: | Condensed Matter; Atomic and Molecular Clusters | cond-mat physics.atm-clus | | 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. | | Source: | arXiv, cond-mat/0011018 | | Services: | Forum | Review | PDF | Favorites | |
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