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Bomont JM, Hansen JP, Pastore G. Hypernetted-chain investigation of the random first-order transition of a Lennard-Jones liquid to an ideal glass. Phys Rev E Stat Nonlin Soft Matter Phys. 2015;92(4):042316doi: 10.1103/PhysRevE.92.042316.
Bomont, J. M., Hansen, J. P., & Pastore, G. (2015). 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, 92(4), 042316. https://doi.org/10.1103/PhysRevE.92.042316
Bomont, Jean-Marc, et al. "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 vol. 92,4 (2015): 042316. doi: https://doi.org/10.1103/PhysRevE.92.042316
Bomont JM, Hansen JP, Pastore G. Hypernetted-chain investigation of the random first-order transition of a Lennard-Jones liquid to an ideal glass. Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Oct;92(4):042316. doi: 10.1103/PhysRevE.92.042316. Epub 2015 Oct 28. PMID: 26565249.
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Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Oct;92(4):042316. doi: 10.1103/PhysRevE.92.042316. Epub 2015 Oct 28.

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

Jean-Marc Bomont, Jean-Pierre Hansen, Giorgio Pastore

Affiliations

  1. Université de Lorraine, LCP-A2MC, EA 3469, 1 Boulevard François Arago, Metz F-57078, France.
  2. Université Pierre et Marie Curie, UMR 8234 PHENIX, Paris, France.
  3. Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom.
  4. Università di Trieste, Dipartimento di Fisica, strada Costiera 11, 34151 Grignano (Trieste), Italy.

PMID: 26565249 DOI: 10.1103/PhysRevE.92.042316

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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