Study on the mechanical properties, gelling products and alkalization process of alkali-activated metakaolin: From experiment to molecular dynamics simulation

ReaxFF:  A Reactive Force Field for Hydrocarbons

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Bond Dissociation, Chemical Kinetics, Chemical Thermodynamics +15

Combining density functional theory (DFT) and pair distribution function (PDF) analysis to solve the structure of metastable materials: the case of metakaolin

Claire E. White, John L. Provis, Thomas Proffen et al. · Physical Chemistry Chemical Physics · 2010 · 165 citations

Engineering, Material Simulation, Computational Chemistry +20

Alkali-activated mortars blended with glass bottle waste nano powder: Environmental benefit and sustainability

Ghasan Fahim Huseien, Hussein K. Hamzah, Abdul Rahman Mohd Sam et al. · Journal of Cleaner Production · 2019 · 147 citations

Materials Science, Engineering, Environmental Engineering +6

Intrinsic sulfuric acid resistance of C-(N)-A-S-H and N-A-S-H gels produced by alkali-activation of synthetic calcium aluminosilicate precursors

Yanru Wang, Yubin Cao, Zuhua Zhang et al. · Cement and Concrete Research · 2022 · 112 citations

Chemical Engineering, Engineering, Calcium Aluminate +4

A molecular dynamics and microporomechanics study on the mechanical properties of major constituents of hydrated cement

Ahmed Al‐Ostaz, Weidong Wu, Alexander H.‐D. Cheng et al. · Composites Part B Engineering · 2010 · 103 citations

Materials Science, Cementation, Engineering +10