title: Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids.
abstract: An electronically coarse-grained model for water reveals a persistent vestige of the liquid-gas transition deep into the supercritical region. A crossover in the density dependence of the molecular dipole arises from the onset of nonpercolating hydrogen bonds. The crossover points coincide with the Widom line in the scaling region but extend farther, tracking the heat capacity maxima, offering evidence for liquidlike and gaslike state points in a "one-phase" fluid. The effect is present even in dipole-limit models, suggesting that it is common for all molecular liquids exhibiting dipole enhancement in the liquid phase.
authors.affiliation: National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW, United Kingdom.
authors.forename: V P
authors.initials: VP
authors.lastname: Sokhan
authors.affiliation: School of Physics and Astronomy, The University of Edinburgh, Mayfield Road, Edinburgh EH9 3JZ, United Kingdom.
authors.forename: A
authors.initials: A
authors.lastname: Jones
authors.affiliation: National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW, United Kingdom.|School of Physics and Astronomy, The University of Edinburgh, Mayfield Road, Edinburgh EH9 3JZ, United Kingdom.
authors.forename: F S
authors.initials: FS
authors.lastname: Cipcigan
authors.affiliation: National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW, United Kingdom.|School of Physics and Astronomy, The University of Edinburgh, Mayfield Road, Edinburgh EH9 3JZ, United Kingdom.
authors.forename: J
authors.initials: J
authors.lastname: Crain
authors.affiliation: IBM T. J. Watson Research Center, Yorktown Heights, New York 10598, USA.
authors.forename: G J
authors.initials: GJ
authors.lastname: Martyna