Potential energy landscape equation of state.

نویسندگان

  • Emilia La Nave
  • Stefano Mossa
  • Francesco Sciortino
چکیده

Depth, number, and shape of the basins of the potential energy landscape are the key ingredients of the inherent structure thermodynamic formalism introduced by Stillinger and Weber [F. H. Stillinger and T. A. Weber, Phys. Rev. A 25, 978 (1982)]. Within this formalism, an equation of state based only on the volume dependence of these landscape properties is derived. Vibrational and configurational contributions to pressure are sorted out in a transparent way. Predictions are successfully compared with data from extensive molecular dynamics simulations of a simple model for the fragile liquid orthoterphenyl.

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عنوان ژورنال:
  • Physical review letters

دوره 88 22  شماره 

صفحات  -

تاریخ انتشار 2002