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Hypernetted-chain investigation of the random first-order transition of a Lennard-Jones liquid to an ideal glass

Abstract : The structural and thermodynamic behavior of a deeply supercooled Lennard-Jones liquid, and its random first-order transition (RFOT) to an ideal glass is investigated, using a system of two weakly coupled replicas and the hypernetted chain integral equation for the pair structure of this symmetric binary system. A systematic search in the density-temperature plane points to the existence of two glass branches below a density-dependent threshold temperature. The branch of lower free energy exhibits a rapid growth of the structural overlap order parameter upon cooling and may be identified with the ideal glass phase conjectured by several authors for both spin and structural glasses. The RFOT, signaled by a sharp discontinuity of the order parameter, is predicted to be weakly first order from a thermodynamic viewpoint. The transition temperature T-cr increases rapidly with density and approximately obeys a scaling relation valid for a reference system of particles interacting via a purely repulsive 1/r(18) potential.
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Jean-Marc Bomont, Jean-Pierre Hansen, Giorgio Pastore. Hypernetted-chain investigation of the random first-order transition of a Lennard-Jones liquid to an ideal glass. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2015, 92 (4), pp.042316. ⟨10.1103/PhysRevE.92.042316⟩. ⟨hal-01515452⟩

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