A repulsive reference potential reproducing the dynamics of a liquid with attractions

Details A repulsive reference potential reproducing the dynamics of a liquid with attractions A repulsive reference potential reproducing the dynamics of a liquid with attractions

2010-04-29

arxiv.org/abs/1004.5316v2

Phys. Rev. Lett. 105, 157801 (2010)

Physics

Condensed Matter

Soft Condensed Matter

Scientific paper

10.1103/PhysRevLett.105.157801

A well-known result of liquid state theory is that the structure of dense fluids is mainly determined by repulsive forces. The WCA potential, which cuts intermolecular potentials at their minima, is therefore often used as a reference. However, this reference gives quite wrong results for the viscous dynamics of the Kob-Andersen binary Lennard-Jones liquid [Berthier and Tarjus, Phys. Rev. Lett. 103, 170601 (2009)]. We show that repulsive inverse-power law potentials provide a useful reference for this liquid by reproducing its structure, dynamics, and isochoric heat capacity.

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