Phase diagram of softly repulsive systems: The Gaussian and inverse-power-law model potentials (Articolo in rivista)

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Label
  • Phase diagram of softly repulsive systems: The Gaussian and inverse-power-law model potentials (Articolo in rivista) (literal)
Anno
  • 2005-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1063/1.2064639 (literal)
Alternative label
  • S. Prestipino; F. Saija; P. V. Giaquinta (2005)
    Phase diagram of softly repulsive systems: The Gaussian and inverse-power-law model potentials
    in The Journal of chemical physics; American Institute of Physics, Melville [NY] (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • S. Prestipino; F. Saija; P. V. Giaquinta (literal)
Pagina inizio
  • 144110 (literal)
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  • 123 (literal)
Rivista
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  • 9 (literal)
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  • 14 (literal)
Note
  • Scopu (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Dip. Fisica, Università di Messina CNR-Istituto Processi Chimico-Fisici, sede Messina (literal)
Titolo
  • Phase diagram of softly repulsive systems: The Gaussian and inverse-power-law model potentials (literal)
Abstract
  • We redraw, using state-of-the-art methods for free-energy calculations, the phase diagrams of two reference models for the liquid state: the Gaussian and inverse-power-law repulsive potentials. Notwithstanding the different behaviors of the two potentials for vanishing interparticle distances, their thermodynamic properties are similar in a range of densities and temperatures, being ruled by the competition between the body-centered-cubic (bcc) and face-centered-cubic (fcc) crystalline structures and the fluid phase. We confirm the existence of a reentrant bcc phase in the phase diagram of the Gaussian-core model, just above the triple point. We also trace the bcc-fcc coexistence line of the inverse-power-law model as a function of the power exponent n and relate the common features in the phase diagrams of such systems to the softness degree of the interaction. (literal)
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