Potential Energy Landscape Equation of State

Details Potential Energy Landscape Equation of State Potential Energy Landscape Equation of State

2002-02-03

arxiv.org/abs/cond-mat/0202039v1

Phys. Rev. Lett. 88, 225701 (2002)

Physics

Condensed Matter

Soft Condensed Matter

RevTeX4, 4 pages, 5 figures

Scientific paper

10.1103/PhysRevLett.88.225701

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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