Coarse-grained theory of a realistic tetrahedral liquid model

I. Procaccia, I. Regev

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Tetrahedral liquids such as water and silica-melt show unusual thermodynamic behavior such as a density maximum and an increase in specific heat when cooled to low temperatures. Previous work had shown that Monte Carlo and mean-field solutions of a lattice model can exhibit these anomalous properties with or without a phase transition, depending on the values of the different terms in the Hamiltonian. Here we use a somewhat different approach, where we start from a very popular empirical model of tetrahedral liquids - the Stillinger-Weber model - and construct a coarse-grained theory which directly quantifies the local structure of the liquid as a function of volume and temperature. We compare the theory to molecular-dynamics simulations and show that the theory can rationalize the simulation results and the anomalous behavior.

Original languageEnglish GB
Article number36010
JournalEurophysics Letters
Volume97
Issue number3
DOIs
StatePublished - Feb 2012

ASJC Scopus subject areas

  • General Physics and Astronomy

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