Structural Order for One-Scale and Two-Scale Potentials

Abstract

We perform molecular dynamics simulations to investigate the relationship between structural order and water-like dynamic and thermodynamic anomalies in spherically-symmetric potentials having either one or two characteristic length scales. %The first potential has only one length scale which is the diameter of the ramp %without the hard core, and the second potential has two length scales: one is the %diameter of a ramp(softcore) and another one is the diameter of a %hard core with a ratio of 1.76. Structural order is characterized by translational and orientational order parameters. %analogous to those used in previous cases for water and %silica.Only the two-scale ramp potential exhibits properties %remarkably similar to those found for water and silica regarding the %relationship between structural order, dynamic anomalies, and thermodynamic %anomalies. We find that (i) dynamic and thermodynamic anomalies exist for both one-scale and two-scale ramp potentials, and (ii) water-like structural order anomalies exist only for the two-scale ramp potential. Our findings suggest that the water-like relationship between structural order and anomalies is related to the presence of two different length scales in the potential.

12 pages, 5 figures

References in corpus (13)

• Is Random Close Packing of Spheres Well Defined?
• Generic mechanism for generating a liquid-liquid phase transition
• Core-softened potentials and the anomalous properties of water
• Molecular structural order and anomalies in liquid silica
• Computer simulations of liquid silica: equation of state and liquid-liquid phase transition
• Liquid State Anomalies for the Stell-Hemmer Core-Softened Potential
• Quantification of Order in the Lennard-Jones System
• 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
• Low temperature properties of core-softened models: water vs. silica behavior
• Water-Like Anomalies for Core-Softened Models of Fluids: Two-Dimensional Systems
• Water-like anomalies for core-softened models of fluids: One dimension
• Applications of the Stell-Hemmer Potential to Understanding Second Critical Points in Real Systems

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