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RESEARCH PRODUCT
Slow dynamics in ion-conducting sodium silicate melts: Simulation and mode-coupling theory
Thomas VoigtmannJuergen Horbachsubject
Materials scienceStatistical Mechanics (cond-mat.stat-mech)SiliconSodiumFOS: Physical sciencesGeneral Physics and Astronomychemistry.chemical_elementSodium silicateDisordered Systems and Neural Networks (cond-mat.dis-nn)Condensed Matter - Disordered Systems and Neural NetworksOxygenIonchemistry.chemical_compoundchemistryChemical physicsMode couplingDiffusion (business)Microscopic theoryCondensed Matter - Statistical Mechanicsdescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2005-08-16 | Europhysics Letters (EPL) |