Influence of Na2O and MgO concentrations on surface damage recovery in silicate glass: A molecular dynamics study

BJ Kim and YN Ahn, JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 108 (2025).

DOI: 10.1111/jace.70049

This study explores the effects of Na2O and MgO concentrations on surface deformation recovery in silicate glasses using molecular dynamics simulations. Nanoindentation simulations show that increasing Na2O initially reduces surface deformation recovery due to Na cluster formation, which limits the elastic response of the glass. However, beyond 20% Na2O, Na ions integrate more effectively with the SiO4 network, enhancing surface deformation recovery. This improvement is most significant at Na2O concentrations between 30% and 40%, where external stress is efficiently dispersed, promoting elastic deformation. The addition of MgO further enhances surface deformation recovery by suppressing Na clustering and enabling uniform Na distribution through diffusion channels in the glass network. However, this effect diminishes beyond a certain MgO concentration. These findings emphasize the critical role of controlled Na2O and MgO concentrations in optimizing surface recovery properties, providing valuable guidance for designing durable glass materials with enhanced performance.

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