Evolution of Local Structures in Alkali-Borate Glasses

2022/09/04 by Kerner, Richard, Santos-Loff, Dina-Maria dos, Rosa, Ana Cristina
#Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)

paper · doi:10.48550/arxiv.2209.01573

Abstract

We analyze the dependence of relative proportion of various characteristic clusters in binary alcali-borate glasses on modifier's concentration x. A pure B₂O₃ glass contains a huge amount of boroxol rings and some amount of boron atoms in between, linking the boroxol rings via oxygen bonds. The addition of the Na₂O modifier creates four-coordinated borons, but the resulting network glass remains totally connected. We study local transformations that lead to creation of new configurations like tetraborates, pentaborates, diborates, etc., and set forth a non-linear differential system similar to the Lotka-Volterra model. The resulting density curves of various local confugurations as functions of x are obtained. Then the average rigidity is evaluated, enabling us to compute the glass transition temperature T_g(x) for a given value of x

Related

• Density and boron coordination in heat-treated alkali-borosilicate glass
• Boron coordination and three‐membered ring formation in sodium borate glasses: a machine‐learning molecular dynamics study
• Variability of optical properties and structure of glass
• Local Structure Controlling the Glass Transition in a Prototype Metal-Metalloid Glass
• On the Boroxol Ring Fraction in Melt-Quenched B₂O₃ Glass