Abstract
A well-known result of liquid state theory is that the structure of dense fluids is mainly determined by their repulsive forces. The Weeks-Chandler-Andersen potential, which cuts intermolecular potentials at their minima, is therefore often used as a reference. However, this cannot reproduce the viscous dynamics of the Kob-Andersen binary Lennard-Jones liquid [Berthier and Tarjus, Phys. Rev. Lett. 103, 170601 (2009)]. This paper shows that repulsive inverse-power-law potentials provide a reference for this liquid that reproduces its structure, dynamics, and isochoric heat capacity.
Highlights
A well-known result of liquid state theory is that the structure of dense fluids is mainly determined by their repulsive forces
Berthier and Tarjus recently showed by simulation that the dynamics of the Kob-Andersen binary Lennard-Jones (KABLJ) viscous liquid is not at all properly reproduced by the WCA reference [10]
An obvious question is whether other repulsive potentials can better reproduce the KABLJ liquid’s dynamics
Summary
A well-known result of liquid state theory is that the structure of dense fluids is mainly determined by their repulsive forces. Berthier and Tarjus recently showed by simulation that the dynamics of the Kob-Andersen binary Lennard-Jones (KABLJ) viscous liquid is not at all properly reproduced by the WCA reference [10].
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