Thermodynamics and Dynamics of the Two-Scale Spherically-Symmetric Jagla Model of Anomalous Liquids
arXiv:cond-mat/0605074 · doi:10.1103/PhysRevE.74.031108
Abstract
Using molecular dynamics simulations, we study a liquid model which consists of particles interacting via a spherically-symmetric two-scale Jagla ramp potential with both repulsive and attractive ramps. The Jagla potential displays anomalies similar to those found in liquid water, namely expansion upon cooling and an increase of diffusivity upon compression, as well as a liquid-liquid (LL) phase transition in the region of the phase diagram accessible to simulations. The LL coexistence line, unlike in tetrahedrally-coordinated liquids, has a positive slope, because of the Clapeyron relation, corresponding to the fact that the high density phase (HDL) is more ordered than low density phase (LDL). When we cool the system at constant pressure above the critical pressure, the hydrodynamic properties rapidly change from those of LDL-like to those of HDL-like upon crossing the Widom line. The temperature dependence of the diffusivity also changes rapidly in the vicinity of the Widom line, namely the slope of the Arrhenius plot sharply increases upon entering the HDL domain. The properties of the glass transition are different in the two phases, suggesting that the less ordered phase (LDL) is fragile, while the more ordered phase (HDL) is strong, which is consistent with the behavior of tetrahedrally-coordinated liquids such as water silica, silicon, and BeF.
arXiv comment9 pages, 18 figures
References in corpus (27)
- Pressure Dependence of Fragile-to-Strong Transition and a Possible Second Critical Point in Supercooled Confined Water
- Observation of Fragile-to-Strong Dynamic Crossover in Protein Hydration Water
- Generic mechanism for generating a liquid-liquid phase transition
- Fragile-to-strong transition and polyamorphism in the energy landscape of liquid silica
- Core-softened potentials and the anomalous properties of water
- Interplay Between Time-Temperature-Transformation and the Liquid-Liquid Phase Transition in Water
- Thermodynamics, Structure, and Dynamics of Water Confined between Hydrophobic Plates
- Liquid State Anomalies for the Stell-Hemmer Core-Softened Potential
- Density minimum and liquid-liquid phase transition
- How the Liquid-Liquid Transition Affects Hydrophobic Hydration in Deeply Supercooled Water
- Thermodynamic and dynamic anomalies for a three dimensional isotropic core-softened potential
- Structural Order for One-Scale and Two-Scale Potentials
- Liquid-Liquid Phase Transitions for Soft-Core Attractive Potentials
- Intra-molecular coupling as a mechanism for a liquid-liquid phase transition
- 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
- Static and Dynamic Anomalies in a Repulsive Spherical Ramp Liquid: Theory and Simulation
- Phase behaviour and thermodynamic anomalies of core-softened fluids
- Low temperature properties of core-softened models: water vs. silica behavior
- Liquid-Liquid Phase Transition for an Attractive Isotropic Potential with Wide Repulsive Range
- Water-Like Anomalies for Core-Softened Models of Fluids: Two-Dimensional Systems
- Physics of the liquid-liquid critical point
- Water-like anomalies for core-softened models of fluids: One dimension
- A System with Multiple Liquid-Liquid Critical Points
- Applications of the Stell-Hemmer Potential to Understanding Second Critical Points in Real Systems
- Relation between the Liquid-Liquid Phase Transition and Dynamic Behavior in the Jagla Model
- Thermodynamic and Dynamic Anomalies for Dumbbell Molecules Interacting with a Repulsive Ramp-Like Potential
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- Structure of the First and Second Neighbor Shells of Water: Quantitative Relation with Translational and Orientational Order
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- A route to explain water anomalies from results on an aqueous solution of salt
- Two-state thermodynamics of the ST2 model for supercooled water
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- Anomalous structure and dynamics of the Gaussian-core fluid
- Isotropic soft-core potentials with two characteristic length scales and anomalous behaviour
- Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles
- Breakdown of The Excess Entropy Scaling for the Systems with Thermodynamic Anomalies
- Effect of water-wall interaction potential on the properties of nanoconfined water
- Hierarchies of networked phases induced by multiple liquid-liquid critical points
- Search for a liquid-liquid critical point in models of silica
- Inversion of Sequence of Diffusion and Density Anomalies in Core-Softened Systems
- Phase behaviour of attractive and repulsive ramp fluids: integral equation and computer simulation studies
- Behavior of Supercooled Aqueous Solutions Stemming from Hidden Liquid-Liquid Transition in Water
- The physics of Empty Liquids: from Patchy particles to Water
- Glass transition with decreasing correlation length during cooling of Fe50Co50 superlattice and strong liquids
- Structural anomalies of fluids: Origins in second and higher coordination shells
- Deconstructing classical water models at interfaces and in bulk
- Core-Softened System With Attraction: Trajectory Dependence of Anomalous Behavior
- Effect of hydrophobic solutes on the liquid-liquid critical point
- Phase diagram of the ST2 model of water
- Phase diagram of a two-dimensional lattice gas model of a ramp system
- Pressure Effects in Supercooled Water: Comparison between a 2D Model of Water and Experiments for Surface Water on a Protein
- Liquid crystal phase and waterlike anomalies in a core-softened shoulder-dumbbells system
- Fragile to strong crossover coupled to liquid-liquid transition in hydrophobic solutions
- Triangle-Well and Ramp Interactions in One-Dimensional Fluids: A Fully Analytic Exact Solution
- Unveiling the complex glassy dynamics of square shoulder systems: simulations and theory
- Modeling Amphiphilic Solutes in a Jagla Solvent
- Phase Transitions Affected by Natural and Forceful Molecular Interconversion
- Terahertz response of dipolar impurities in polar liquids: On anomalous dielectric absorption of protein solutions
- Effects of confinement between attractive and repulsive walls on the thermodynamics of an anomalous fluid
- Temperature and Length Scale Dependence of Solvophobic Solvation in a Single-site Water-like Liquid
- Structural properties of the Jagla fluid
- Dynamic Transitions in a Two Dimensional Associating Lattice Gas Model
- Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid phase transition in the Fermi-Jagla model
- Free-Energy Functional Method for Inverse Problem of Self Assembly
- Insight into liquid polymorphism from the complex phase behaviour of a simple model
- Critical points, phase transitions and water-like anomalies for an isotropic two length scale potential with increasing attractive well
- Dynamical anomalies and structural features of Active Brownian Particles characterised by two repulsive length scales
- Interpenetration as a Mechanism for Liquid-Liquid Phase Transitions
- A one-dimensional model with water-like anomalies and two phase transitions
- Fine discretization of pair interactions and an approximate analytical strategy for predicting equilibrium behavior of complex fluids
- Revealing the three-component structure of water with principal component analysis (PCA) on X-ray spectrum
- Relation between boundary slip mechanisms and water-like fluid behavior
- Hamiltonian limited valence model for liquid polyamorphism
- Potential-tuning molecular dynamics studies of fusion, and the question of ideal glassformers: (I) The Gay-Berne model
- 1D fluids with repulsive nearest-neighbour interactions: Low-temperature anomalies