Structural Changes In Alkali Depleted Alkali-Silicate Glass - Md Study

Alkali-silicate glass irradiated with electrons of medium energy become to be fully depleted of alkali ions after some time. 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: preparing glass by numerical cooling from the high-temperature melt; removal of alkali ions; silica structure was relaxed at temperatures 200K and 1000K. Structural changes are characterised in terms PP RDF's and coordination numbers. Peroxide bonds were created from the dangling bonds, originating from non-bridging oxygen.