The favored cluster structures of model glass formers

We examine the favored cluster structures for two new interatomic potentials, which both behave as monatomic model glass formers in bulk. We find that the oscillations in the potential lead to global minima that are noncompact arrangements of linked 13-atom icosahedra. The structural properties of t...

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Veröffentlicht in:The Journal of chemical physics 2003-02, Vol.118 (6), p.2792-2799
Hauptverfasser: Doye, Jonathan P. K., Wales, David J., Zetterling, Fredrik H. M., Dzugutov, Mikhail
Format: Artikel
Sprache:eng
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Zusammenfassung:We examine the favored cluster structures for two new interatomic potentials, which both behave as monatomic model glass formers in bulk. We find that the oscillations in the potential lead to global minima that are noncompact arrangements of linked 13-atom icosahedra. The structural properties of the clusters correlate with the glass forming propensities of the potentials, and with the fragilities of the corresponding supercooled liquids.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1534831