Probing the pair structure of supercooled fluids by integral equations: Evidence for an equilibrium liquid-ideal glass transition?
1 Université de Lorraine, LCP- A2MC, EA 3469 - 1 Bd. François Arago, Metz F-57078, France
2 Università di Trieste, Dipartimento di Fisica - strada Costiera 11, I-34151 Grignano (Trieste), Italy
3 Laboratoire de Physicochimie des Electrolytes, Colloïdes et Sciences Analytiques, Université Pierre et Marie Curie 4 Place Jussieu, F-75005 Paris, France
Received: 13 November 2013
Accepted: 5 February 2014
We solve the hypernetted-chain (HNC) and Rogers-Young (RY) integral equations for the pair structure of a system of two weakly coupled replicæ of a soft-sphere fluid, in order to detect signatures of an equilibrium transition to an “ideal glass”. Both integral equations predict, in addition to the supercooled-liquid branch, the appearance of a new disordered state characterized by different pair correlations, over a range of temperatures. The ideal-glass transition temperature , identified by a discontinuous jump in the inter-replica pair correlation function, is predicted to be substantially higher with RY compared to HNC theory. The internal energy is predicted to undergo a weak discontinuity at .
PACS: 64.70.Q- – Theory and modeling of the glass transition / 61.20.Gy – Theory and models of liquid structure / 05.20.Jj – Statistical mechanics of classical fluids
© EPLA, 2014