Debye-Waller factor of liquid silica: theory and simulation.

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 describe accurately the nonergodicity parameters of simple as well as of network-forming liquids.

• Publication year

  2000

• Venue

  Physical Review Letters

• Publication date

  2000-08-02

• Fields of study

  Medicine, Physics

• Identifiers
  DOI 10.1103/PhysRevLett.86.648arXiv cond-mat/0008024PMID 11177903
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Test of molecular mode coupling theory for general rigid molecules

  2000cited by this paper
• Molecular mode-coupling theory for supercooled liquids: application to water.

  1999cited by this paper
• Cooling-rate effects in amorphous silica: A computer-simulation study.

  1996cited by this paper
• Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture I: The van Hove correlation function.

  1995cited by this paper
• Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture. II. Intermediate scattering function and dynamic susceptibility.

  1995cited by this paper
• Formation of Glasses from Liquids and Biopolymers

  1995cited by this paper
• Glass transition in colloidal hard spheres: Measurement and mode-coupling-theory analysis of the coherent intermediate scattering function.

  1994cited by this paper
• Force fields for silicas and aluminophosphates based on ab initio calculations.

  1990cited by this paper

• Further Computations of Quantum Fluid Triplet Structures at Equilibrium in the Diffraction Regime.

  2026cites this paper
• Fundamental measure theory for predicting many-body correlation functions.

  2025cites this paper
• Static Structures in Monatomic Fluids

  2025cites this paper
• Revealing hidden medium-range order in silicate glass formers using many-body correlation functions

  2024cites this paper
• Rescaled mode-coupling scheme for the quantitative description of experimentally observed colloid dynamics.

  2024cites this paper
• Direct measurement of the structural change associated with amorphous solidification using static scattering of coherent radiation.

  2023cites this paper
• Unveiling the anatomy of mode-coupling theory

  2023cites this paper
• Emergent structural correlations in dense liquids

  2023cites this paper
• Competing relaxation channels in continuously polydisperse fluids: A mode-coupling study

  2023cites this paper
• Dynamics of supercooled liquids from static averaged quantities using machine learning

  2022cites this paper
• Many-Body Correlations Are Non-negligible in Both Fragile and Strong Glassformers.

  2022influential citation
• Stochastic equations and dynamics beyond mean-field theory

  2022cites this paper
• Active glassy dynamics is unaffected by the microscopic details of self-propulsion.

  2022cites this paper
• Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas

  2021cites this paper
• Multi-component generalized mode-coupling theory: predicting dynamics from structure in glassy mixtures

  2021cites this paper
• Finite-size scaling and thermodynamics of model supercooled liquids: long-range concentration fluctuations and the role of attractive interactions.

  2021cites this paper
• Generalized mode-coupling theory for mixtures of Brownian particles.

  2021cites this paper
• Glassy dynamics of sticky hard spheres beyond the mode-coupling regime

  2021cites this paper
• Glassy dynamics of a binary Voronoi fluid: a mode-coupling analysis

  2020cites this paper
• Real Space Triplets in Quantum Condensed Matter: Numerical Experiments Using Path Integrals, Closures, and Hard Spheres

  2020cites this paper
• Structure of the simple harmonic-repulsive system in liquid and glassy states studied by the triple correlation function

  2020cites this paper
• Generalized mode-coupling theory of the glass transition. II. Analytical scaling laws.

  2020cites this paper
• An Improved Integration Scheme for Mode-Coupling-Theory Equations

  2020cites this paper
• Dynamical properties of densely packed confined hard-sphere fluids.

  2020cites this paper
• Scaling equations for mode-coupling theories with multiple decay channels

  2020cites this paper
• Solvable Models of Supercooled Liquids in Three Dimensions.

  2020cites this paper
• Solvable Models of Supercooled Liquids at the Avoided Mode-Coupling-Theory Transition

  2019cites this paper
• Understanding, predicting, and tuning the fragility of vitrimeric polymers

  2019cites this paper
• Revealing key structural features hidden in liquids and glasses

  2019cites this paper
• Analytic results for the three- and four-particle correlation functions of the fluid of hard disks.

  2019cites this paper
• Generalized mode-coupling theory of the glass transition. I. Numerical results for Percus-Yevick hard spheres.

  2019cites this paper
• Common microscopic structural origin for water's thermodynamic and dynamic anomalies.

  2018cites this paper
• Computation of static quantum triplet structure factors of liquid para-hydrogen.

  2018cites this paper
• Mode-Coupling Theory of the Glass Transition: A Primer

  2018cites this paper
• A localization transition underlies the mode-coupling crossover of glasses

  2018cites this paper
• Glass transition in hard-core fluids and beyond, using an effective static structure in the mode coupling theory

  2017cites this paper
• The Classical Triplet Distribution Functions for Three Component Dilute Relativistic Plasma

  2016cites this paper
• Glass transition and relaxation behavior of supercooled polymer melts: An introduction to modeling approaches by molecular dynamics simulations and to comparisons with mode-coupling theory

  2016cites this paper
• Théorie des liquides et verres en dimension infinie

  2016cites this paper
• Analyses of kinetic glass transition in short-range attractive colloids based on time-convolutionless mode-coupling theory.

  2016cites this paper
• Theory of high-dimensional liquids and glasses

  2016cites this paper
• Characteristic length scales of the secondary relaxations in glass-forming glycerol

  2016cites this paper
• Dynamique vitreuse sur la sphère S2

  2015cites this paper
• Simulated glass-forming polymer melts: Dynamic scattering functions, chain length effects, and mode-coupling theory analysis

  2015cites this paper
• Computer simulations of glasses: the potential energy landscape

  2015cites this paper
• Mode-coupling approach for the slow dynamics of a liquid on a spherical substrate.

  2015cites this paper
• The Classical Binary and Triplet Distribution Functions for Dilute Relativistic Plasma

  2015cites this paper
• Triplet correlations dominate the transition from simple to tetrahedral liquids.

  2014cites this paper
• Exploring the thermodynamic derivatives of the structure factor of dense protein solutions.

  2012cites this paper
• Supercooled liquids: equivalence between mode-coupling theory and the replica approach.

  2012cites this paper
• Static triplet correlations in glass-forming liquids: a molecular dynamics study.

  2012cites this paper
• Mode-coupling theory of the glass transition for confined fluids.

  2012cites this paper
• The Classical Binary and Triplet Distribution Functions for Two Component Plasma

  2012cites this paper
• Glassy and jammed states of harmonic spheres

  2012cites this paper
• Progress in Liquid and Glass Physics by Brillouin Scattering Spectroscopy

  2012cites this paper
• Glass-Forming Substances and Systems

  2011cites this paper
• A Surrogate for Debye-Waller Factors from Dynamic Stokes Shifts.

  2011cites this paper
• Mode-coupling theory for the glass transition: test of the convolution approximation for short-range interactions.

  2011cites this paper
• Self and collective correlation functions in a gel of tetrahedral patchy particles

  2011cites this paper
• Comparison of mode-coupling theory with molecular dynamics simulations from a unified point of view.

  2011cites this paper
• From caging to Rouse dynamics in polymer melts with intramolecular barriers: a critical test of the mode coupling theory.

  2010cites this paper
• Scaling between structural relaxation and particle caging in a model colloidal gel

  2010cites this paper
• Critical test of the mode-coupling theory of the glass transition.

  2010cites this paper
• Theoretical perspective on the glass transition and amorphous materials

  2010cites this paper
• Structural relaxation of polydisperse hard spheres: comparison of the mode-coupling theory to a Langevin dynamics simulation.

  2010cites this paper
• The role of intramolecular barriers on the glass transition of polymers: Computer simulations versus mode coupling theory.

  2009cites this paper
• Single-particle and collective slow dynamics of colloids in porous confinement.

  2009cites this paper
• Comparative classical and ‘ab initio’ molecular dynamics study of molten and glassy germanium dioxide

  2008cites this paper
• Transport of Mobile Particles in an Immobile Environment: Computer Simulations of Sodium Silicates

  2008cites this paper
• Structural relaxation in a binary metallic melt: Molecular dynamics computer simulation of undercooled Al 80 Ni 20

  2008cites this paper
• The dynamics of silica melts under high pressure: mode-coupling theory results

  2008cites this paper
• A spherical model with directional interactions. I. Static properties.

  2007cites this paper
• Structural and conformational dynamics of supercooled polymer melts: insights from first-principles theory and simulations.

  2007cites this paper
• Bond formation and slow heterogeneous dynamics in adhesive spheres with long-ranged repulsion: quantitative test of mode coupling theory.

  2007cites this paper
• Mode-coupling theory predictions for a limited valency attractive square well model

  2006cites this paper
• Computer simulations of supercooled liquids

  2006cites this paper
• The Debye-Waller factor approaching the glass-transition temperature in phosphate glasses

  2006cites this paper
• Some Things We Can Learn from Chemically Realistic Polymer Melt Simulations

  2005cites this paper
• Ergodic to nonergodic transition in liquids with a local order: the case of m-toluidine.

  2005cites this paper
• Glassy behavior of molecular crystals: A comparison between results from MD-simulation and mode coupling theory

  2005cites this paper
• Dynamics in the presence of attractive patchy interactions.

  2005cites this paper
• Computer Simulation of Molten and Glassy Silica and its Mixtures with Sodium Oxide and Aluminium Oxide

  2005cites this paper
• Computer simulations of supercooled polymer melts in the bulk and in confined geometry

  2005cites this paper
• Glassy colloidal systems

  2005cites this paper
• Thermal relaxation of glycerol and propylene glycol studied by photothermal spectroscopy.

  2004cites this paper
• Mode-coupling theory and the glass transition in supercooled liquids

  2004cites this paper
• Structural relaxation in supercooled orthoterphenyl.

  2004cites this paper
• Tagged-particle dynamics in a hard-sphere system: mode-coupling theory analysis.

  2004cites this paper
• Static and dynamic anomalies in a repulsive spherical ramp liquid: theory and simulation.

  2004cites this paper
• Mode-coupling analysis of the translational and rotational diffusion of polar liquids; acetonitrile and water

  2004cites this paper
• Supercooled liquids under shear: theory and simulation.

  2004cites this paper
• Static properties of a simulated supercooled polymer melt: structure factors, monomer distributions relative to the center of mass, and triple correlation functions.

  2004cites this paper
• Fluctuation-dissipation relations and energy landscape in an out-of-equilibrium strong-glass-forming liquid.

  2003cites this paper
• Theories of the Structural Glass Transition

  2003cites this paper
• Dynamics of colloidal glass-forming mixtures.

  2003cites this paper
• A theoretical study on the anomalous pressure dependence of the transport properties of ionic liquids: Comparison among lithium bromide, silica, and water

  2003cites this paper
• Spatially heterogeneous dynamics investigated via a time-dependent four-point density correlation function

  2003cites this paper
• Effect of composition changes on the structural relaxation of a binary mixture.

  2002cites this paper
• Simulation study of nonergodicity transitions: gelation in colloidal systems with short-range attractions.

  2002cites this paper
• Study of the triplet and pair structure of strong electrolytes modeled via truncated Coulomb interactions

  2002cites this paper