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

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

2005-08-16

arxiv.org/abs/cond-mat/0508379v1

Physics

Condensed Matter

Disordered Systems and Neural Networks

4 pages, 4 figures

Scientific paper

10.1209/epl/i2006-10012-2

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.

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