Monte Carlo simulations of the blinking-checkers model for polyamorphic fluids

被引:2
作者
Buldyrev, Sergey V. [1 ,2 ]
Longo, Thomas J. [3 ]
Caupin, Frederic [4 ]
Anisimov, Mikhail A. [3 ,5 ]
机构
[1] Yeshiva Univ, Dept Phys, New York, NY 10033 USA
[2] Boston Univ, Dept Phys, Boston, MA 02215 USA
[3] Univ Maryland, Inst Phys Sci & Technol, College Pk, MD USA
[4] Univ Claude Bernard Lyon 1, Inst Lumiere Matiere, Inst Univ France, CNRS, F-69622 Villeurbanne, France
[5] Univ Maryland, Dept Chem & Biomol Engn, College Pk, MD USA
关键词
Monte Carlo simulations; binary-lattice model; molecular interconversion; fluid polyamorphism; LIQUID-LIQUID TRANSITION; BULK SUPERCOOLED WATER; CRITICAL-POINT; SURFACE-TENSION; PHASE-TRANSITION; THERMODYNAMICS; SEPARATION; ANOMALIES; PRESSURE; BEHAVIOR;
D O I
10.1080/00268976.2024.2371555
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The blinking-checkers model [F. Caupin and M. A. Anisimov, Phys. Rev. Lett, 127,185701 (2021)] is a minimal lattice model which has demonstrated that, in the meanfield approximation, it can reproduce the phenomenon of fluid polyamorphism. This model is a binary lattice-gas, in which each site has three possible states: empty, occupied with particles of type 1, and occupied with particles of type 2. Additionally, the two types of particles may interconvert from one to another. Equilibrium interconversion imposes a constraint that makes this model thermodynamically equivalent to a single-component system. In this work, Monte-Carlo simulations of the blinking-checkers model are performed, demonstrating polyamorphic phase behaviour. The locations of the liquid-liquid and liquid-gas critical points are found to be different from the meanfield predictions for this model with the same interaction parameters, as the phase behaviour is significantly affected by critical fluctuations. Based on the computed values of the critical exponents of the order parameter, susceptibility, correlation length, and surface tension, we confirm that the blinking-checkers model, for both liquid-gas and liquid-liquid equilibria, belongs to the three-dimensional Ising class of critical-point universality.
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页数:13
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