Influence of liquid structure on the thermodynamics of freezing

Pierre Ronceray 1, 2, Peter Harrowell 3

Physical Review E 87 (2013) 052313

The ordering transitions of a 2D lattice liquid characterized by a single favoured local structure (FLS) are studied using Monte Carlo simulations. All eight distinct geometries for the FLS are considered and we find a variety of ordering transitions - first order, continuous and multi-step transitions. Using a microcanonical representation of the freezing transition we resolve the dual influence of the local structure on the ordering transition, i.e. via the energy of the crystal and the entropy cost of structure in the liquid.

  • 1. Laboratoire de Physique Théorique et Modèles Statistiques (LPTMS),
    CNRS : UMR8626 – Université Paris XI - Paris Sud
  • 2. Ecole Normale Supérieure de Paris (ENS Paris),
    École normale supérieure [ENS] - Paris
  • 3. Faculty of Sciences,
    University of Sydney