Glass Transition of Hard Sphere Systems: Molecular Dynamics and Density Functional Theory

Abstract

The glass transition of a hard sphere system is investigated within the framework of the density functional theory (DFT). Molecular dynamics (MD) simulations are performed to study dynamical behavior of the system on the one hand and to provide the data to produce the density field for the DFT on the other hand. Energy landscape analysis based on the DFT shows that there appears a metastable (local) free energy minimum representing an amorphous state as the density is increased. This state turns out to become stable, compared with the uniform liquid, at some density, around which we also observe sharp slowing down of the $alpha$ relaxation in MD simulations.

5 pages, 5 figures

References in corpus (4)

• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture II: Intermediate Scattering Function and Dynamic Susceptibility
• Dynamics of Highly Supercooled Liquids:Heterogeneity, Rheology, and Diffusion
• Fragilities of Liquids Predicted from the Random First Order Transition Theory of Glasses
• Heterogeneities in Supercooled liquids: A Density Functional Study

Cited by in corpus (15)

• Mean field theory of hard sphere glasses and jamming
• The van Hove distribution function for Brownian hard spheres: dynamical test particle theory and computer simulations for bulk dynamics
• Exploring the jamming transition over a wide range of critical densities
• Equilibrium glassy phase in a polydisperse hard sphere system
• Solidification in soft-core fluids: disordered solids from fast solidification fronts
• Long-Range Anomalous Decay of the Correlation in Jammed Packings
• Signatures of Dynamical Heterogeneity in the Structure of Glassy Free-energy Minima
• A Free Energy Landscape for Cage Breaking of Three Hard Disks
• Construction of the free energy landscape by the density functional theory
• Non-hyperuniform metastable states around a disordered hyperuniform state of densely packed spheres: stochastic density functional theory at strong coupling
• Linking density functional and mode coupling models for supercooled liquids
• Theory of simple glasses
• Fragility index of a simple liquid from structural inputs
• Replica Field Theory for a Generalized Franz--Parisi Potential of Inhomogeneous Glassy Systems: New Closure and the Associated Self-Consistent Equation
• Glass and jamming transition of simple liquids: static and dynamic theory