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Volume 118, 2001
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Global optimization and the energy landscapes of Dzugutov clusters

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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.

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Publication details

The article was received on 06 Nov 2000 and first published on 11 Jun 2001

Article type: Paper
DOI: 10.1039/B008881L
Citation: Faraday Discuss., 2001,118, 159-170
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    Global optimization and the energy landscapes of Dzugutov clusters

    J. P. K. Doye, D. J. Wales and S. I. Simdyankin, Faraday Discuss., 2001, 118, 159
    DOI: 10.1039/B008881L

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