Understanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface (Articolo in rivista)

Type
Label
  • Understanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Coslovich, D; Pastore, G (2007)
    Understanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Coslovich, D; Pastore, G (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 127 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Trieste, Dipartmento Fis Teor, I-34100 Trieste, Italy; CNR, INFM, Democritos Natl Simulat Ctr, I-34100 Trieste, Italy (literal)
Titolo
  • Understanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface (literal)
Abstract
  • The connection between isobaric fragility and the properties of high-order stationary points of the potential energy surface in different supercooled Lennard-Jones mixtures was investigated. The increase of effective activation energies upon supercooling appears to be driven by the increase of average potential energy barriers measured by the energy dependence of the fraction of unstable modes. Such an increase is sharper, the more fragile the mixture. Correlations between fragility and other properties of high-order stationary points, including the vibrational density of states and the localization features of unstable modes, are also discussed. (C) 2007 American Institute of Physics. (literal)
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