Structural properties of the Jagla fluid

Abstract

The structural properties of the Jagla fluid are studied by Monte Carlo (MC) simulations, numerical solutions of integral equation theories, and the (semi-analytical) rational-function approximation (RFA) method. In the latter case, the results are obtained from the assumption (supported by our MC simulations) that the Jagla potential and a potential with a hard core plus an appropriate piecewise constant function lead to practically the same cavity function. The predictions obtained for the radial distribution function, $g(r)$, from this approach are compared against MC simulations and integral equations for the Jagla model, and also for the limiting cases of the triangle-well potential and the ramp potential, with a general good agreement. The analytical form of the RFA in Laplace space allows us to describe the asymptotic behavior of $g(r)$ in a clean way and compare it with MC simulations for representative states with oscillatory or monotonic decay. The RFA predictions for the Fisher--Widom and Widom lines of the Jagla fluid are obtained.

arXiv comment12 pages, 10 figures; v2: structure factor included

References in corpus (38)

• Relation Between the Widom line and the Strong-Fragile Dynamic Crossover in Systems with a Liquid-Liquid Phase Transition
• Generic mechanism for generating a liquid-liquid phase transition
• Core-softened potentials and the anomalous properties of water
• Phase behavior of a system of particles with core collapse
• Liquid State Anomalies for the Stell-Hemmer Core-Softened Potential
• Thermodynamics and Dynamics of the Two-Scale Spherically-Symmetric Jagla Model of Anomalous Liquids
• Structural Order for One-Scale and Two-Scale Potentials
• Water-like hierarchy of anomalies in a continuous spherical shouldered potential
• Liquid-Liquid Phase Transitions for Soft-Core Attractive Potentials
• Structural anomalies for a three dimensional isotropic core-softened potential
• Metastable liquid-liquid coexistence and density anomalies in a core-softened fluid
• A Family of Tunable Spherically-Symmetric Potentials that Span the Range from Hard Spheres to Water-like Behavior
• Waterlike thermodynamic anomalies in a repulsive-step potential system
• Static and Dynamic Anomalies in a Repulsive Spherical Ramp Liquid: Theory and Simulation
• Liquid-liquid equilibrium for monodisperse spherical particles
• Isotropic soft-core potentials with two characteristic length scales and anomalous behaviour
• Phase behaviour and thermodynamic anomalies of core-softened fluids
• Low temperature properties of core-softened models: water vs. silica behavior
• Water-Like Anomalies for Core-Softened Models of Fluids: Two-Dimensional Systems
• Thermodynamics of Fluid Polyamorphism
• Phase behaviour of attractive and repulsive ramp fluids: integral equation and computer simulation studies
• Applications of the Stell-Hemmer Potential to Understanding Second Critical Points in Real Systems
• Anomalous phase behavior of a soft-repulsive potential with a strictly monotonic force
• Anomalous phase behavior in a model fluid with only one type of local structure
• Silica-Like Sequence of Anomalies in Core-Softened Systems
• Relation between the Liquid-Liquid Phase Transition and Dynamic Behavior in the Jagla Model
• Core-Softened System With Attraction: Trajectory Dependence of Anomalous Behavior
• Anomalous melting behavior under extreme conditions: hard matter turning "soft"
• Simple Fluids with Complex Phase Behavior
• Dynamic Anomalies of Fluids with Isotropic Doubled-Ranged Potential
• Solid-like features in dense vapors near the fluid critical point
• Thermodynamic, Dynamic, Structural and Excess Entropy Anomalies for core-softened potentials
• Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid phase transition in the Fermi-Jagla model
• Structural properties of fluids interacting via piece-wise constant potentials with a hard core
• Rational-function approximation for fluids interacting via piece-wise constant potentials
• High--order jamming crossovers and density anomalies
• Density and structural anomalies in soft-repulsive dimeric fluids
• Microscopic structure and thermodynamics of a core-softened model fluid from the second-order integral equations theory

Cited by in corpus (7)

• Structural and Thermodynamic Properties of Hard-Sphere Fluids
• On the decay of the pair correlation function and the line of vanishing excess isothermal compressibility in simple fluids
• Triangle-Well and Ramp Interactions in One-Dimensional Fluids: A Fully Analytic Exact Solution
• Finite-size estimates of Kirkwood-Buff and similar integrals
• Solid-amorphous transition is related to the waterlike anomalies in a fluid without liquid-liquid phase transition
• Structural properties of additive binary hard-sphere mixtures. II. Asymptotic behavior and structural crossovers
• On a conjecture concerning the Fisher--Widom line and the line of vanishing excess isothermal compressibility in simple fluids