Thermodynamic scaling of diffusion in supercooled Lennard-Jones liquids

Abstract

The manner in which the intermolecular potential u(r) governs structural relaxation in liquids is a long standing problem in condensed matter physics. Herein we show that diffusion coefficients for simulated Lennard-Jones m-6 liquids (8<m<36) in normal and moderately supercooled states are a unique function of the variable rho^g/T, where rho is density and T is temperature. The scaling exponent g is a material specific constant whose magnitude is related to the steepness of the repulsive part of u(r), evaluated around the distance of closest approach between particles probed in the supercooled regime. Approximations of u(r) in terms of inverse power laws are also discussed.

arXiv comment4 pages, 3 figures

References in corpus (12)

• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture I: The van Hove Correlation Function
• Thermodynamical Scaling of the Glass Transition Dynamics
• Thermodynamic Scaling of the Viscosity of Van Der Waals, H-Bonded, and Ionic Liquids
• Neutron Scattering Studies of the Model Glass Former Ortho-terphenyl
• Scaling out the density dependence of the $\alpha$ relaxation in glassforming polymers
• Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures
• Thermodynamic interpretation of the scaling of the dynamics of supercooled liquids
• Scaling the alpha-relaxation time of supercooled fragile organic liquids
• Does the interaction potential determine both the fragility of a liquid and the vibrational properties of its glassy state?
• Disentangling density and temperature effects in the viscous slowing down of glassforming liquids
• An equation for the description of volume and temperature dependences of the dynamics of supercooled liquids and polymer melts
• Understanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface

Cited by in corpus (44)

• Bond orientational ordering in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization
• "Isomorphs" in liquid state diagrams
• Pressure-energy correlations in liquids. IV. "Isomorphs" in liquid state diagrams
• Pressure-energy correlations in liquids. II. Analysis and consequences
• Nonperturbative effect of attractive forces in viscous liquids
• Pressure-energy correlations in liquids. V. Isomorphs in generalized Lennard-Jones systems
• A repulsive reference potential reproducing the dynamics of a liquid with attractions
• Density scaling as a property of strongly correlating viscous liquids
• Hidden scale invariance in molecular van der Waals liquids: A simulation study
• The role of attractive forces in viscous liquids
• On the density scaling of liquid dynamics
• Pressure-energy correlations and thermodynamic scaling in viscous Lennard-Jones liquids
• Isomorphs in model molecular liquids
• Density scaling in viscous liquids: From relaxation times to four-point susceptibilities
• Testing "microscopic" theories of glass-forming liquids
• Determination of the Thermodynamic Scaling Exponent from Static, Ambient-Pressure Quantities
• The Rosenfeld-Tarazona expression for liquids' specific heat: A numerical investigation of eighteen systems
• Thermodynamic scaling of vibrational dynamics and relaxation
• Estimating the density-scaling exponent of a monatomic liquid from its pair potential
• Corroborative evidences of TVgamma-scaling of the alpha-relaxation originating from the primitive relaxation/JG beta relaxation
• Scaling of Volumetric Data in Model Systems Based on the Lennard-Jones Potential
• Density Scaling and Decoupling in o-Terphenyl, Salol, and Dibutyphthalate
• Probing the glass transition from structural and vibrational properties of zero-temperature glasses
• Connection between dynamics and thermodynamics of liquids on the melting line
• Impact of size polydispersity on the nature of Lennard-Jones liquids
• Scaling Theory for Steady State Plastic Flows in Amorphous Solids
• Idealized glass transitions under pressure: dynamics versus thermodynamics
• Thermodynamic scaling of dynamics in polymer melts: Predictions from the generalized entropy theory
• Effect of Energy Polydispersity on the Nature of Lennard-Jones Liquids
• Density scaling of the diffusion coefficient at various pressures in viscous liquids
• Activation Volume in the Density Scaling Regime: Equation of State and Its Test by Using Experimental and Simulation Data
• Are polar liquids less simple?
• A pathway towards proper modeling of physical properties
• Correlation of the scaling exponent of the diffusivity-density function in viscous liquids with their elastic properties
• Intermolecular distance and density scaling of dynamics in molecular liquids
• Equation of state in the generalized density scaling regime studied from ambient to ultra-high pressure conditions
• Virial-potential energy correlation and its relation to the density scaling for quasi-real model systems
• Dynamic heterogeneity of glass-forming liquids in the density scaling regime
• On the experimental determination of the repulsive component of the potential from high pressure measurements: what is special about twelve?
• Role of entropy in the thermodynamic evolution of the time scale of molecular dynamics near the glass transition
• Crystal phases of soft spheres systems in a slab geometry
• Relations between the Material Mechanical Parameters and the Inter-particle Potential in Amorphous Solids
• A plausible interpretation of the density scaling of the diffusivity in viscous liquids
• In search of invariants for viscous liquids in the density scaling regime: Investigations of dynamic and thermodynamic moduli