Potential energy landscape equation of state |
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Authors: | La Nave Emilia Mossa Stefano Sciortino Francesco |
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Affiliation: | Dipartimento di Fisica, INFM UdR and INFM, Center for Statistical Mechanics and Complexity, Università di Roma "La Sapienza," Piazzale Aldo Moro 2, I-00185, Roma, Italy. |
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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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