Estimating the density-scaling exponent of a monatomic liquid from its pair potential

Abstract

This paper investigates two conjectures for calculating the density dependence of the density-scaling exponent of a single-component, pair-potential liquid with strong virial potential-energy correlations. The first conjecture gives an analytical expression for the density-scaling exponent directly in terms of the pair potential. The second conjecture is a refined version of this, which involves the most likely nearest-neighbor distance determined from the pair-correlation function. The two conjectures for the density-scaling exponent are tested by simulations of three systems, one of which is the standard Lennard-Jones liquid. While both expressions give qualitatively correct results, the second expression is more accurate.

References in corpus (9)

• Pressure-energy correlations in liquids. I. Results from computer simulations
• Pressure-energy correlations in liquids. II. Analysis and consequences
• Strong pressure-energy correlations in van der Waals liquids
• Thermodynamic scaling of diffusion in supercooled Lennard-Jones liquids
• A repulsive reference potential reproducing the dynamics of a liquid with attractions
• Statistical mechanics of Roskilde liquids: Configurational adiabats, specific heat contours and density dependence of the scaling exponent
• NVU perspective on simple liquids' quasiuniversality
• Do the repulsive and attractive pair forces play separate roles for the physics of liquids?
• Activation Volume in the Density Scaling Regime: Equation of State and Its Test by Using Experimental and Simulation Data

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