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Potential Energy Landscape Equation of State

Emilia La Nave·Stefano Mossa·Francesco Sciortino
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Abstract

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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Emilia La Nave, Stefano Mossa, Francesco Sciortino. 2002-02-03. Potential Energy Landscape Equation of State. https://doi.org/10.1103/physrevlett.88.225701

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