2009/03/03 by Thomas B. Schrøder, Thomas B. Schroder, Nicholas P. Bailey +3 · 4 citations
Earth and Planetary Sciences · Engineering · Materials Science · Physics and Astronomy · #High-pressure geophysics and materials #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #cond-mat.soft
paper · pdf · doi:10.1063/1.3265955
published as J. Chem. Phys. 131, 234503 (2009)
arxiv created 2009/08/21 · openalex publication_date 2009/12/17 · arxiv updated 2013/01/29 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
In this third paper of the series, which started with Bailey et al. [J. Chem. Phys. 129, 184507 (2008); ibid. 129, 184508 (2008)], we continue the development of the theoretical understanding of strongly correlating liquids--those whose instantaneous potential energy and virial are more than 90% correlated in their thermal equilibrium fluctuations at constant volume. The existence of such liquids was detailed in previous work, which identified them, based on computer simulations, as a large class of liquids, including van der Waals liquids but not, e.g., hydrogen-bonded liquids. We here discuss the following: (1) the scaling properties of inverse power-law and extended inverse power-law potentials (the latter includes a linear term that "hides" the approximate scale invariance); (2) results from computer simulations of molecular models concerning out-of-equilibrium conditions; (3) ensemble dependence of the virial/potential-energy correlation coefficient; (4) connection to the Grüneisen parameter; and (5) interpretation of strong correlations in terms of the energy-bond formalism.