Isomorphs in the phase diagram of a model liquid without inverse power law repulsion

Details Isomorphs in the phase diagram of a model liquid without inverse power law repulsion Isomorphs in the phase diagram of a model liquid without inverse power law repulsion

2011-06-15

arxiv.org/abs/1106.2973v2

Eur. J. Phys. B 85, 21 (2012)

Physics

Condensed Matter

Soft Condensed Matter

7 pages, 9 figures

Scientific paper

10.1140/epjb/e2011-20506-2

It is demonstrated by molecular dynamics simulations that liquids interacting via the Buckingham potential are strongly correlating, i.e., have regions of their phase diagram where constant-volume equilibrium fluctuations in the virial and potential energy are strongly correlated. A binary Buckingham liquid is cooled to a viscous phase and shown to have isomorphs, which are curves in the phase diagram along which structure and dynamics in appropriate units are invariant to a good approximation. To test this, the radial distribution function, and both the incoherent and coherent intermediate scattering function are calculated. The results are shown to reflect a hidden scale invariance; despite its exponential repulsion the Buckingham potential is well approximated by an inverse power-law plus a linear term in the region of the first peak of the radial distribution function. As a consequence the dynamics of the viscous Buckingham liquid is mimicked by a corresponding model with purely repulsive inverse-power-law interactions. The results presented here closely resemble earlier results for Lennard-Jones type liquids, demonstrating that the existence of strong correlations and isomorphs does not depend critically on the mathematical form of the repulsion being an inverse power law.

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