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Configurational entropy from a replica approach: A density-functional model.

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We study a field-theoretic model for the metastable liquid using a nonlocal free-energy functional with density ρ(x) is the order parameter and three-point correlation effects included in the formulation. We… Click to show full abstract

We study a field-theoretic model for the metastable liquid using a nonlocal free-energy functional with density ρ(x) is the order parameter and three-point correlation effects included in the formulation. We assume fragmentation of the free-energy landscape into distinct basins of local minima and evaluate the partition function for the many-particle system through mapping into a composite system of m identical replicas. Static correlations and configurational entropy S_{c} are calculated in the m=1 limit. The Kauzman packing fraction η_{K} obtained are in agreement with other works.

Keywords: density; model; configurational entropy; replica approach; entropy replica

Journal Title: Physical review. E
Year Published: 2022

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