論文

査読有り 責任著者
2018年3月7日

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

Journal of Chemical Physics
  • Saki Higuchi
  • ,
  • Daiki Kato
  • ,
  • Daisuke Awaji
  • ,
  • Kang Kim

148
9
開始ページ
094507
終了ページ
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1063/1.5017105
出版者・発行元
American Institute of Physics Inc.

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 the 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 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.

リンク情報
DOI
https://doi.org/10.1063/1.5017105
URL
http://orcid.org/0000-0002-7047-3183
ID情報
  • DOI : 10.1063/1.5017105
  • ISSN : 0021-9606
  • ORCIDのPut Code : 42384528
  • SCOPUS ID : 85043482764

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