How to quantify structural anomalies in fluids?

Abstract

Some fluids are known to behave anomalously. The so-called structural anomaly which means that the fluid becomes less structures under isothermal compression is among the most frequently discussed ones. Several methods for quantifying the degree of structural order are described in the literature and are used for calculating the regions of structural anomalies. It is implied that all of the structural order determinations yield qualitatively identical results. However, no explicit comparison was made. This paper presents such a comparison for the first time. the results of some definitions are shown to contradict the intuitive notion of a fluid. On the basis of this comparison we show that the structural anomaly can be most reliably determined from the behavior of the excess entropy.

7 pages, 5 figures

References in corpus (25)

• Accurate determination of crystal structures based on averaged local bond order parameters
• Core-softened potentials and the anomalous properties of water
• Molecular structural order and anomalies in liquid silica
• Phase behavior of a system of particles with core collapse
• Static and Dynamic Properties of Stretched Water
• Investigating the Geometrical Structure of Disordered Sphere Packings
• Quasi-binary amorphous phase in a 3D system of particles with repulsive-shoulder interactions
• Waterlike thermodynamic anomalies in a repulsive-step potential system
• A parameter-free, solid-angle based, nearest-neighbor algorithm
• Anomalous structure and dynamics of the Gaussian-core fluid
• Isotropic soft-core potentials with two characteristic length scales and anomalous behaviour
• Breakdown of The Excess Entropy Scaling for the Systems with Thermodynamic Anomalies
• Water-like anomalies for core-softened models of fluids: One dimension
• Freezing and melting of 3D complex plasma structures under microgravity conditions driven by neutral gas pressure manipulation
• Structural properties of dense hard sphere packings
• Softness dependence of the Anomalies for the Continuous Shouldered Well potential
• A System with Multiple Liquid-Liquid Critical Points
• Inversion of Sequence of Diffusion and Density Anomalies in Core-Softened Systems
• Evaluation of phenomenological one-phase criteria for the melting and freezing of softly repulsive particles
• 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
• Core-Softened System With Attraction: Trajectory Dependence of Anomalous Behavior
• Precursors of order in aggregates of patchy particles
• Thermodynamic, Dynamic, Structural and Excess Entropy Anomalies for core-softened potentials

Cited by in corpus (9)

• Excess entropy determines the applicability of Stokes-Einstein relation in simple fluids
• Phase diagram and melting scenarios of two-dimensional Hertzian spheres
• Elementary vibrational model for transport properties of dense fluids
• Two-body entropy of two-dimensional fluids
• Reentrant disorder-disorder transitions in generalized multicomponent Widom-Rowlinson models
• Order-Disorder structural transition in a confined fluid
• Dispersion of acoustic excitations in tetrahedral liquids
• Al-Cu-Fe alloys: the relationship between the quasicrystal and its melt
• Connection between water's dynamical and structural properties: insights from ab initio simulations