Fermi-Jagla模型中类水液-液相变的热力学和动力学反常的联系
Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid phase transition in the Fermi-Jagla model
摘要：
我们采用基于Fermi-Jagla势模型的分子动力学模拟进行了研究。亚伯拉罕，S。V. Buldyrev和N. Giovambattista，J. Phys. Chem. B，115，14229（2011）]。该模型显示了在液-液临界点处高密度和低密度液体之间的类水液-液相变。特别是共存线的斜率变弱为负，这可能是液态多晶作用的异常之一。在这项研究中，我们研究了密度，动力学和热力学异常的液-液临界点附近。密度，自扩散，剪切粘度和过剩熵异常的边界进行了表征。此外，根据Rosenfeld的标度关系的过剩熵和输运系数，如扩散和粘度，这些异常连接。结果表明，费米-贾格拉模型的热力学和动力学异常的层次和嵌套结构。
英文摘要：
We present a study using molecular dynamics simulations based on the Fermi-Jagla potential model, which is the continuous version of the mono-atomic core-softened Jagla model [J. Y. Abraham, S. V. Buldyrev, and N. Giovambattista, J. Phys. Chem. B, 115, 14229 (2011)]. This model shows the water-like liquid-liquid phase transition between high-density and low-density liquids at the liquid-liquid critical point. In particular, the slope of the coexistence line becomes weakly negative, which is expected to represent one of anomalies of liquid polyamorphism. In this study, we examined the density, dynamic, and thermodynamic anomalies in the vicinity of the 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 relationship between the excess entropy and the transport coefficients such as diffusion and viscosity. The results demonstrate the hierarchical and nested structures regarding the thermodynamic and dynamic anomalies of the Fermi-Jagla model.
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