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

Author:

Gedeon Ondrej1,Charvátová Soňa1,Macháček Jan1

Affiliation:

1. Technicka 5

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.

Publisher

Trans Tech Publications, Ltd.

Subject

General Engineering

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1. Effect of residual atmospheric pressure on the development of electrostatic discharges at the surface of protective glasses of solar cells;Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques;2016-09

2. Irradiation of potassium-silicate glass surfaces: XPS and REELS study;Surface and Interface Analysis;2015-12-23

3. Volume changes in glass induced by an electron beam;Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms;2014-03

4. Mixed-alkali effect in sodium–potassium glasses irradiated with electrons;Journal of Non-Crystalline Solids;2010-03

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