The Debye-Waller factor of liquid silica: Theory and simulation

Abstract

We show that the prediction of mode-coupling theory for a model of a network-forming strong glass-former correctly describes the wave-vector dependence of the Debye-Waller factor. To obtain a good description it is important to take into account the triplet correlation function c_3, which we evaluate from a computer simulation. Our results support the possibility that this theory is able to accurately describe the non-ergodicity parameters of simple as well as of network-forming liquids.

arXiv comment5 pages of Latex, 3 figures

References in corpus (8)

• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture I: The van Hove Correlation Function
• Cooling rate effects in amorphous Silica: A Computer Simulation Study
• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture II: Intermediate Scattering Function and Dynamic Susceptibility
• Molecular dynamics calculation of the thermal conductivity of vitreous silica
• Static and Dynamic Properties of a Viscous Silica Melt Molecular Dynamics Computer Simulations
• How does the relaxation of a supercooled liquid depend on its microscopic dynamics?
• A quantitative test of the mode-coupling theory of the ideal glass transition for a binary Lennard-Jones system
• Molecular mode-coupling theory for supercooled liquids: Application to water

Cited by in corpus (64)

• Theoretical perspective on the glass transition and amorphous materials
• Molecular structural order and anomalies in liquid silica
• Mode-Coupling Theory of the Glass Transition: A Primer
• Effect of Composition Changes on the Structural Relaxation of a Binary Mixture
• Simulation study of Non-ergodicity Transitions: Gelation in Colloidal Systems with Short Range Attractions
• Static and Dynamic Anomalies in a Repulsive Spherical Ramp Liquid: Theory and Simulation
• Structural relaxation of polydisperse hard spheres: comparison of the mode-coupling theory to a Langevin dynamics simulation
• Tagged-particle dynamics in a hard-sphere system: mode-coupling theory analysis
• The relaxation dynamics of a viscous silica melt: II The intermediate scattering functions
• Dynamics and Configurational Entropy in the LW Model for Supercooled Orthoterphenyl
• Supercooled Liquids Under Shear: Theory and Simulation
• Idealized glass transitions for a system of dumbbell molecules
• A critical test of the mode-coupling theory of the glass transition
• Single-particle and collective slow dynamics of colloids in porous confinement
• Understanding, predicting, and tuning the fragility of vitrimeric polymers
• Slow Dynamics in Ion-Conducting Sodium Silicate Melts: Simulation and Mode-Coupling Theory
• Mode-coupling theory of the glass transition for confined fluids
• Configuration space connectivity across the fragile to strong transition in silica
• Gaussian density fluctuations and Mode Coupling Theory for supercooled liquids
• Diffusion and Interdiffusion in Binary Metallic Melts
• Quantitative tests of mode-coupling theory for fragile and strong glass-formers
• Structural and conformational dynamics of supercooled polymer melts: Insights from first-principles theory and simulations
• Static triplet correlations in glass-forming liquids: A molecular dynamics study
• A localization transition underlies the mode-coupling crossover of glasses
• Completely monotone solutions of the mode-coupling theory for mixtures
• Dynamics in a supercooled molecular liquid: Theory and Simulations
• Dynamic glass transition: bridging the gap between mode-coupling theory and the replica approach
• Structural relaxation in supercooled orthoterphenyl
• Long-wavelength fluctuations lead to a model of the glass crossover
• Dynamics of supercooled liquids: density fluctuations and Mode Coupling Theory
• Comparative classical and ab initio Molecular Dynamics study of molten and glassy germanium dioxide
• Higher-order glass-transition singularities in systems with short-ranged attractive potentials
• Static Properties of a Simulated Supercooled Polymer Melt: Structure Factors, Monomer Distributions Relative to the Center of Mass, and Triple Correlation Functions
• Solvable Models of Supercooled Liquids in Three Dimensions
• The Role of Intramolecular Barriers on the Glass Transition of Polymers: Computer Simulations vs. Mode Coupling Theory
• A spherical model with directional interactions: I. Static properties
• From caging to Rouse dynamics in polymer melts with intramolecular barriers: a critical test of the Mode Coupling Theory
• Active Glassy Dynamics is Unaffected by the Microscopic Details of Self-Propulsion
• Many-body correlations are non-negligible in both fragile and strong glassformers
• The structural relaxation of molten sodium disilicate
• Mode-Coupling Theory of Colloids with Short-range Attractions
• Equilibration times in numerical simulation of structural glasses: Comparing parallel tempering and conventional molecular dynamics
• Generalized mode-coupling theory of the glass transition. I. Numerical results for Percus-Yevick hard spheres
• The mean-squared displacement of a molecule moving in a glassy system
• Generalized mode-coupling theory of the glass transition. II. Analytical scaling laws
• The Dynamics of Silica Melts under High Pressure: Mode-Coupling Theory Results
• Ergodicity breaking in strong and network-forming glassy system
• Multi-component generalized mode-coupling theory: Predicting dynamics from structure in glassy mixtures
• Mode-coupling approach for the slow dynamics of a liquid on a spherical substrate
• Structural relaxation in a supercooled molecular liquid
• Mode-coupling theory predictions for a limited valency attractive square-well model
• Generalized Mode-Coupling Theory for Mixtures of Brownian Particles
• Dynamical properties of densely packed confined hard-sphere fluids
• Super-Cooled Liquids: Equivalence between Mode-Coupling Theory and Replica Approach
• Unveiling the anatomy of mode-coupling theory
• Glassy dynamics of a binary Voronoi fluid: A mode-coupling analysis
• Fluctuation-dissipation relations and energy landscape in an out-of-equilibrium strong glass-forming liquid
• Glassy dynamics of sticky hard spheres beyond the mode-coupling regime
• Scaling equations for mode-coupling theories with multiple decay channels
• Bond formation and slow heterogeneous dynamics in adhesive spheres with long--ranged repulsion: Quantitative test of Mode Coupling Theory
• Analyses of kinetic glass transition in short-range attractive colloids based on time-convolutionless mode-coupling theory
• Glassy behavior of molecular crystals: A comparison between results from MD-simulation and mode coupling theory
• Structure of the simple harmonic-repulsive system in liquid and glassy states studied by the triple correlation function
• Competing Relaxation Channels in Continuously Polydisperse Fluids: A Mode-Coupling Study