Thermodynamic and dynamic anomalies for a three dimensional isotropic core-softened potential

Abstract

Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting with continuous core-softened intermolecular potential. Dynamic properties are also analyzed by the simulations. We show that, for a chosen shape of the potential, the density, at constant pressure, has a maximum for a certain temperature. The line of temperatures of maximum density (TMD) was determined in the pressure-temperature phase diagram. Similarly the diffusion constant at a constant temperature, $D$, has a maximum at a density ${\rho }_{max}$ and a minimum at a density ${\rho }_{min}<{\rho }_{max}$. In the pressure-temperature phase-diagram the line of extrema in diffusivity is outside of TMD line. Although in this interparticle potential lacks directionality, this is the same behavior observed in SPC/E water.

16 pages

References in corpus (26)

• 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
• Dynamics of simulated water under pressure
• Phase behavior of a system of particles with core collapse
• Liquid State Anomalies for the Stell-Hemmer Core-Softened Potential
• Static and Dynamic Properties of Stretched Water
• Liquid-Liquid Phase Transitions for Soft-Core Attractive Potentials
• Supercooled Water and the Kinetic Glass Transition II: Collective Dynamics
• Slow dynamics of water under pressure
• Static and Dynamic Anomalies in a Repulsive Spherical Ramp Liquid: Theory and Simulation
• Metastable liquid-liquid phase transition in a single-component system with only one crystal phase and no density anomaly
• Liquid-liquid equilibrium for monodisperse spherical particles
• 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
• Minimum energy configurations of repelling particles in two dimensions
• 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
• Liquid Polymorphism and Density Anomaly in a Lattice Gas Model
• Liquid Polymorphism and Double Criticality in a Lattice Gas Model
• Density anomaly in a competing interactions lattice gas model
• Density Anomaly in Core-Softened Lattice Gas
• Dynamic Anomalies of Fluids with Isotropic Doubled-Ranged Potential

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• Core-softened Fluids, Water-like Anomalies and the Liquid-Liquid Critical Points
• Liquid polymorphism and density anomaly in a three-dimensional associating lattice gas
• Waterlike anomalies in a 2D core-softened potential
• Enhanced flow of core-softened fluids through nanotubes
• Liquid crystal phase and waterlike anomalies in a core-softened shoulder-dumbbells system
• Liquid polymorphism, order-disorder transitions and anomalous behavior: a Monte Carlo study of the Bell-Lavis model for water
• Diffusion Anomaly in a three dimensional lattice gas
• Effects of nanopore and fluid structure on anomalies and phase transitions of confined core-softened fluids
• Distinct aggregation patterns and fluid porous phase in a 2D model for colloids with competitive interactions
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• Relation between boundary slip mechanisms and water-like fluid behavior
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• Integral equation study of soft-repulsive dimeric fluids
• Hydration and anomalous solubility of the Bell-Lavis model as solvent
• Thermodynamic constraints and pseudotransition behavior in a one-dimensional water-like system
• Density anomaly of charged hard spheres of different diameters in a mixture with core-softened model solvent. Monte Carlo simulation results
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