title: Intramolecular coupling as a mechanism for a liquid-liquid phase transition.
abstract: We study a model for water with a tunable intramolecular interaction J(sigma), using mean-field theory and off-lattice Monte Carlo simulations. For all J(sigma)> or =0, the model displays a temperature of maximum density. For a finite intramolecular interaction J(sigma)>0, our calculations support the presence of a liquid-liquid phase transition with a possible liquid-liquid critical point for water, likely preempted by inevitable freezing. For J=0, the liquid-liquid critical point disappears at T=0.
authors.affiliation: Center for Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215, USA.
authors.forename: Giancarlo
authors.initials: G
authors.lastname: Franzese
authors.forename: Manuel I
authors.initials: MI
authors.lastname: Marqués
authors.forename: H
authors.initials: H
authors.lastname: Eugene Stanley