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On the liquid-glass transition line in monatomic Lennard-Jones fluids

M. Robles·M. López de Haro
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Abstract

A thermodynamic approach to derive the liquid-glass transition line in the reduced temperature vs reduced density plane for a monatomic Lennard-Jones fluid is presented. The approach makes use of a recent reformulation of the classical perturbation theory of liquids [M. Robles and M. López de Haro, Phys. Chem. Chem. Phys. {\bf 3}, 5528 (2001)] which is at grips with a rational function approximation for the Laplace transform of the radial distribution function of the hard-sphere fluid. The only input required is an equation of state for the hard-sphere system. Within the Mansoori-Canfield/Rasaiah-Stell variational perturbation theory, two choices for such an equation of state, leading to a glass transition for the hard-sphere fluid, are considered. Good agreement with the liquid-glass transition line derived from recent molecular dynamic simulations [Di Leonardo et al., Phys. Rev. Lett. {\bf 84}, 6054(2000)] is obtained.

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M. Robles, M. López de Haro. 2002-03-29. On the liquid-glass transition line in monatomic Lennard-Jones fluids. https://doi.org/10.1209/epl%2Fi2003-00362-7

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