Slow Dynamics in Ion-Conducting Sodium Silicate Melts: Simulation and Mode-Coupling Theory

Abstract

A combination of molecular-dynamics (MD) computer simulation and mode-coupling theory (MCT) is used to elucidate the structure-dynamics relation in sodium-silicate melts (NSx) of varying sodium concentration. Using only the partial static structure factors from the MD as an input, MCT reproduces the large separation in relaxation time scales of the sodium and the silicon/oxygen components. This confirms the idea of sodium diffusion channels which are reflected by a prepeak in the static structure factors around 0.95 A^-1, and shows that it is possible to explain the fast sodium-ion dynamics peculiar to these mixtures using a microscopic theory.

arXiv comment4 pages, 4 figures

References in corpus (14)

• Static and Dynamic Properties of a Viscous Silica Melt Molecular Dynamics Computer Simulations
• Channel Formation and Intermediate Range Order in Sodium Silicate Melts and Glasses
• Channel diffusion of sodium in a silicate glass
• A quantitative test of the mode-coupling theory of the ideal glass transition for a binary Lennard-Jones system
• Effect of Composition Changes on the Structural Relaxation of a Binary Mixture
• The dynamics of sodium in sodium disilicate: Channel relaxation and sodium diffusion
• The Debye-Waller factor of liquid silica: Theory and simulation
• Complete identification of alkali sites in ion conducting lithium silicate glasses: a computer study of ion dynamics
• Tagged-particle dynamics in a hard-sphere system: mode-coupling theory analysis
• Alpha-Relaxation Processes in Binary Hard-Sphere Mixtures
• Molecular mode-coupling theory for supercooled liquids: Application to water
• Quantitative tests of mode-coupling theory for fragile and strong glass-formers
• Structural relaxation in supercooled orthoterphenyl
• The structural relaxation of molten sodium disilicate

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• The Localization Transition of the Two-Dimensional Lorentz Model
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• Localization dynamics of fluids in random confinement
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• Effect of mixing and spatial dimension on the glass transition
• Mobile particles in an immobile environment: Molecular Dynamics simulation of a binary Yukawa mixture
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• Tests of mode coupling theory in a simple model for two-component miscible polymer blends
• Space-resolved dynamics of a tracer in a disordered solid
• Recursion formulas for nonlinear density fluctuations near the glass transition
• The Dynamics of Silica Melts under High Pressure: Mode-Coupling Theory Results
• Anomalous transport in the soft-sphere Lorentz model
• Localization phenomena in models of ion-conducting glass formers
• Dynamical properties of densely packed confined hard-sphere fluids
• Glassy dynamics of a binary Voronoi fluid: A mode-coupling analysis
• 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
• Continuous time random walk concepts applied to extended mode coupling theory: A study of the Stokes-Einstein breakdown
• Tagged-particle dynamics in confined colloidal liquids