Structural Changes in Alkali Depleted Alkali-Silicate Glass – MD Study

Ondrej Gedeon; Soňa Charvátová; Jan Macháček

doi:10.4028/www.scientific.net/AMR.39-40.65

Paper Titles

Network-Forming Ions Diffusion in Metasilicate and Pyrophosphate MeIts: Molecular Dynamics Simulation
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Synthesis and Selected Properties of Silicate Hybrids Containing Sepharose
p.53

Influence of Montmorillonite Clay on Structure and Properties of Sodium Borate Glasses
p.57

Characterization of Aluminophosphate Glasses Containing Pr³⁺, Er³⁺, Gd³⁺ and Yb³⁺ Ions
p.61

Structural Changes in Alkali Depleted Alkali-Silicate Glass – MD Study
p.65

Structural Model of K₂O-GeO₂-P₂O₅Glasses Based on Diffraction Results
p.69

Glass Formation and Structure of the Glasses in the MoO₃-Nd₂O₃-Bi₂O₃ System
p.73

Silicon Oxycarbide Glasses from Gel Hybrid Structures
p.77

The Effect of CaO and MgO on Physical Properties of MgO-CaO-B₂O₃-Al₂O₃-SiO₂ Glasses with Composition Close to the E-Glass Fibers
p.81

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Structural Changes in Alkali Depleted Alkali-Silicate Glass – MD Study

Abstract:

Alkali-silicate glass irradiated with electrons of the medium energy becomes to be fully depleted of alkali ions after some time. The chemical changes are expected to be accompanied with significant changes of glass structure. The changes in structure of 15K2O•85SiO2 glass were simulated by ab-initio MD. Experimental conditions were imitated by the following procedure. First, glass was prepared by the numerical cooling from the high-temperature melt. Second, alkali ions were removed. Third, silica structure was relaxed at temperatures 300 K and 1000 K. Structural changes are characterized in terms PP RDF’s and coordination numbers. It was found peroxide bonds were created from the dangling bonds, coming from non-bridging oxygen.