Relation between the Widom line and the dynamic crossover in systems with a liquid-liquid phase transition.

By Limei Xu, Pradeep Kumar, Sergey V. Buldyrev, Shi Chen, P. H. Poole, Francesco Sciortino, H. Eugene Stanley. Proceedings of the National Academy of Sciences of the United States of America, 2005

723 citations recorded by the source corpus.

We investigate, for two water models displaying a liquid-liquid critical point, the relation between changes in dynamic and thermodynamic anomalies arising from the presence of the liquid-liquid critical point. We find a correlation between the dynamic crossover and the locus of specific heat maxima C(P)(max) ("Widom line") emanating from the critical point. Our findings are consistent with a possible relation between the previously hypothesized liquid-liquid phase transition and the transition in the dynamics recently observed in neutron scattering experiments on confined water. More generally, we argue that this connection between C(P)(max) and dynamic crossover is not limited to the case of water, a hydrogen bond network-forming liquid, but is a more general feature of crossing the Widom line. Specifically, we also study the Jagla potential, a spherically symmetric two-scale potential known to possess a liquid-liquid critical point, in which the competition between two liquid structures is generated by repulsive and attractive ramp interactions.

Subfields: Atomic and Molecular Physics, and Optics, Biomedical Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/1d1090ea5dc98efba6a0b992a6f4b6f7c7668222

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Citations in the corpus

• The Widom line as the crossover between liquid-like and gas-like behaviour in supercritical fluids (2010, background): “Whereas for subcritical fluids along the coexistence line all thermodynamical response functions simultaneously diverge, in the case of supercritical fluids the notion of divergence is replaced by that of a maximum and one can identify a line for each response function (the Widom line in the case of”
• Appearance of a Fractional Stokes-Einstein Relation in Water and a Structural Interpretation of Its Onset (2009, neutral): “For each species (LDA-like and HDA-like), the maximum change defines a temperature T max a255  K for the structural evolution”
• Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies (2018, neutral): “[106] used 1,728 ST2 water molecules, Guevara-Carrion et al.”