Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid phase transition in the Fermi-Jagla model

摘要

We present a study using molecular dynamics simulations based on theFermi-Jagla potential model, which is the continuous version of mono-atomiccore-softened Jagla model [J. Y. Abraham, S. V. Buldyrev, and N.Giovambattista, J. Phys. Chem. B, 115, 14229 (2011)]. This model shows thewater-like liquid-liquid phase transition between high-density and low-densityliquids. In particular, the slope of the coexistence line becomes weaklynegative, which represents one of the liquid-water anomalies. In this study, weexamined the density, dynamic, and thermodynamic anomalies in the vicinity ofthe liquid-liquid critical point. The boundaries of density, self-diffusion,shear viscosity, and excess entropy anomalies were characterized. Furthermore,these anomalies are connected according to the Rosenfeld's scaling relationshipbetween the excess entropy and the transport coefficients such as diffusion andviscosity. The results demonstrated the hierarchical and nested structuresregarding the thermodynamic and dynamic anomalies of the Fermi-Jagla model.