Atomistic insights into scratch-induced structural evolution of silica glass

S Sahoo, S Mannan, U Tiwari, RR Kaware, Z Ye… - Acta Materialia, 2025 - Elsevier
Understanding the mechanism of scratch damage is vital to develo** better scratch-
resistant glasses. To this extent, employing molecular dynamics simulations and …

Compressive reactive molecular dynamics on mechanical and structural behaviors of geopolymers: Imposing lateral constraints and varied temperatures

M Fang, T Wang, T Guo, P Shi, B Jiang, C Wang… - Applied Clay …, 2024 - Elsevier
Geopolymer concrete offers superior mechanical properties and microstructure, yet micro-
level compressive properties and structural evolutions remain insufficiently understood. This …

Shock-induced reactive molecular dynamics simulation in sodium aluminosilicate hydrate: Wave propagation, mechanical response, and structural deformation

Y Tu, MX Fang, T Guo, T Wang, L Yuan, P Shi… - Journal of Non …, 2023 - Elsevier
Sodium aluminosilicate hydrate (NASH) gels have gained attention due to their potential use
as components of geopolymers to improve structural and mechanical properties. In this …