Elementary vibrational model for transport properties of dense fluids

Abstract

A vibrational model of transport properties of dense fluids assumes that solid-like oscillations of atoms around their temporary equilibrium positions dominate the dynamical picture. The temporary equilibrium positions of atoms do not form any regular structure and are not fixed, unlike in solids. Instead, they are allowed to diffuse and this is why liquids can flow. However, this diffusive motion is characterized by much longer time scales compared to those of solid-like oscillations. Although this general picture is not particularly new, only in a recent series of works it has been possible to construct a coherent and internally consistent {\it quantitative} description of transport properties such as self-diffusion, shear viscosity, and thermal conductivity. Moreover, the magnitudes of these transport coefficients have been related to the properties of collective excitations in dense fluids. Importantly, the model is simple and no free parameters are involved. Recent achievements are summarized in this overview. Application of the vibrational model to various single-component model systems such as plasma-related Coulomb and screened Coulomb (Yukawa) fluids, the Lennard-Jones fluid, and the hard-sphere fluid is considered in detail. Applications to real liquids are also briefly discussed. Overall, good to excellent agreement with available numerical and experimental data is demonstrated. Conditions of applicability of the vibrational model and a related question concerning the location of the gas-liquid crossover are discussed.

arXiv commentOverview of the vibrational paradigm of fluid dynamics. arXiv admin note: text overlap with arXiv:2110.13201

References in corpus (82)

• Theoretical perspective on the glass transition and amorphous materials
• Mean field theory of hard sphere glasses and jamming
• "Isomorphs" in liquid state diagrams
• Pressure-energy correlations in liquids. IV. "Isomorphs" in liquid state diagrams
• Two liquid states of matter: A new dynamic line on a phase diagram
• Collective modes and thermodynamics of the liquid state
• Hard Spheres: Crystallization and Glass Formation
• "Liquid-gas" transition in the supercritical region: Fundamental changes in the particle dynamics
• Liquid-like behavior of supercritical fluids
• Anomalous structure and dynamics of the Gaussian-core fluid
• Emergence and evolution of $k$-gap in spectra of liquid and supercritical states
• Probing the link between residual entropy and viscosity of molecular fluids and model potentials
• Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles
• Minimal quantum viscosity from fundamental physical constants
• Breakdown of The Excess Entropy Scaling for the Systems with Thermodynamic Anomalies
• Structural properties of dense hard sphere packings
• Transition in the supercritical state of matter: experimental evidence
• Frenkel Line and Solubility Maximum in Supercritical Fluids
• Transport Coefficients of the Yukawa One Component Plasma
• Accurate Determination of the Shear Viscosity of the One-Component Plasma
• Lindemann melting criterion in two dimensions
• Universal law for the vibrational density of states of liquids
• Viscosity and mutual diffusion in strongly asymmetric binary ionic mixtures
• Practical expressions for the internal energy and pressure of Yukawa fluids
• Evaluation of phenomenological one-phase criteria for the melting and freezing of softly repulsive particles
• Excess entropy determines the applicability of Stokes-Einstein relation in simple fluids
• On the long-waves dispersion in Yukawa systems
• Practical thermodynamics of Yukawa systems at strong coupling
• A Ubiquitous Thermal Conductivity Formula for Liquids, Polymer Glass, and Amorphous Solids
• A new view of the Lindemann criterion
• Invariants in the Yukawa system's thermodynamic phase diagram
• Freezing and melting line invariants of the Lennard-Jones system
• Collective modes in simple melts: Transition from soft spheres to the hard sphere limit
• Onset of transverse (shear) waves in strongly-coupled Yukawa fluids
• Universal lower bounds on energy and momentum diffusion in liquids
• The Rosenfeld-Tarazona expression for liquids' specific heat: A numerical investigation of eighteen systems
• Practical formula for the shear viscosity of Yukawa fluids
• Experimental Confirmation of the Universal Law for the Vibrational Density of States of Liquids
• Revealing the supercritical dynamics of dusty plasmas and their liquid-like to gas-like dynamical crossover
• Testing thermal conductivity models with equilibrium molecular dynamics simulations of the one component plasma
• How to quantify structural anomalies in fluids?
• Thermally triggered phononic gaps in liquids at THz scale
• Internal energy of the classical two- and three-dimensional one-component-plasma
• Self-diffusion in strongly coupled Yukawa systems (complex plasmas)
• Accurate freezing and melting equations for the Lennard-Jones system
• Researh Note: Stokes-Einstein relation in simple fluids revisited
• Mapping between long-time molecular and Brownian dynamics
• Transport properties of Lennard-Jones fluids: Freezing density scaling along isotherms
• Glass-Transition Properties from Hard Spheres to Charged Point Particles
• The Purcell question: why do all viscosities stop at the same place?
• Minima of shear viscosity and thermal conductivity coefficients of classical fluids
• Isomorph-based empirically modified hypernetted-chain approach for strongly coupled Yukawa one-component plasmas
• Effective Coulomb Logarithm for One Component Plasma
• Vibrational model of thermal conduction for fluids with soft interactions
• Self-diffusion and shear viscosity for the TIP4P/Ice water model
• Simple dispersion relations for Coulomb and Yukawa fluids
• Practical dispersion relations for strongly coupled plasma fluids
• Universality, scaling and collapse in supercritical fluids
• Thermal conductivity of strongly coupled Yukawa fluids
• Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas. II. Short range
• Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas. I. Intermediate and long range
• Ionization and transport in partially ionized multicomponent plasmas: Application to atmospheres of hot Jupiters
• Sound velocities of Lennard-Jones systems near the liquid-solid phase transition
• Two-component dynamics and the liquid-like to gas-like crossover in supercritical water
• Note: Gas-liquid crossover in the Lennard-Jones system
• Freezing density scaling of fluid transport properties: Application to liquefied noble gases
• Fingerprints of different interaction mechanisms on the collective modes in complex (dusty) plasmas
• Classical scattering in strongly attractive potentials
• Two-body entropy of two-dimensional fluids
• Onset of negative dispersion in one-component-plasma revisited
• Accurate transport cross sections for the Lennard-Jones potential
• On the advanced integral equation theory description of dense Yukawa one-component plasma liquids
• Elastic properties of dense hard-sphere fluids
• Bridgman formula for the thermal conductivity of atomic and molecular liquids
• Universal interrelation between dynamics and thermodynamics of fluids: dynamically-driven "c"-transition
• When do soft spheres become hard spheres?
• Fast dynamics perspective on the breakdown of the Stokes-Einstein law in fragile glassformers
• Self-diffusion in single-component Yukawa fluids
• Note: Stokes-Einstein relation without hydrodynamic diameter in the TIP4P/Ice water model
• Vibrational model of heat transfer in strongly coupled Yukawa fluids (dusty plasma liquids)
• Freezing and melting equations for the $n$-6 Lennard-Jones systems
• Note: Sound velocities of generalized Lennard-Jones ($n-6$) fluids near freezing

Cited by in corpus (18)

• Excess entropy of strongly coupled Yukawa fluids
• On the system size dependence of the diffusion coefficients in MD simulations: A simple correction formula for pure dense fluids
• Thermodynamics and transport in molten chloride salts and their mixtures
• Hyperballistic transport in dense systems of charged particles under ac electric fields
• Freezing density scaling of transport coefficients in the Weeks-Chandler-Andersen fluid
• Elementary vibrational model for thermal conductivity of Lennard-Jones fluids: Applicability domain and accuracy level
• Quasi-universal behaviour of shear relaxation times in simple fluids
• Generalized Rosenfeld-Tarazona scaling and high-density specific heat of simple liquids
• The Viscosity of Liquids in the Dual Model
• Speed of sound in dense simple liquids
• Theory of Generalized Hertzian Hyperspheres
• Modified Bridgman formula for the thermal conductivity of complex (dusty) plasma fluids
• Weak decaying collective-excitation approximation for Yukawa one-component plasmas
• Heat capacity of dense liquids: A link between two-phase model and melting temperature scaling
• Vibrational model of entropy in dense two-dimensional fluids
• Note: Shoving model and the glass transition in one-component plasma
• Variational approach to Yukawa fluids. II. Instantaneous elastic moduli and sound velocities
• Excess entropy scaling of the transverse sound speed in simple fluids