30 citations · 129 across the 11 of their papers we have counts for
11 papers
Density functional modeling of the binding energies between aluminosilicate oligomers and different metal cations
Kai Gong, Kengran Yang, Claire E. White
Interactions between negatively charged aluminosilicate species and positively charged metal cations are critical to many important engineering processes and applications, includin…
Development of physics-based compositional parameters for predicting the reactivity of amorphous aluminosilicates in alkaline environments
Kai Gong, Claire E. White
The reactivity of amorphous aluminosilicates in alkaline environments is important to many applications, including blended Portland cements and alkali-activated materials (AAMs). H…
Time-dependent phase quantification and local structure analysis of hydroxide-activated slag via X-ray total scattering and molecular modeling
Kai Gong, Claire E. White
Here, an approach to quantify the amorphous-to-disordered/crystalline transformation occurring in NaOH-activated ground granulated blast-furnace slag (GGBS) is outlined that combin…
Predicting CaO-(MgO)-Al2O3-SiO2 glass reactivity in alkaline environments from force field molecular dynamics simulations
Kai Gong, Claire E. White
In this investigation, force field-based molecular dynamics (MD) simulations have been employed to generate detailed structural representations for a range of amorphous quaternary…
Density Functional Modeling and Total Scattering Analysis of the Atomic Structure of a Quaternary CaO-MgO-Al2O3-SiO2 (CMAS) Glass: Uncovering the Local Environment of Magnesium
Kai Gong, V. Ongun Özçelik, Kengran Yang +1
Quaternary CaO-MgO-Al2O3-SiO2 glasses are important constituents of the Earth's lower crust and mantle, and they also have important industrial applications such as in metallurgica…
In situ quasi-elastic neutron scattering study on the water dynamics and reaction mechanisms in alkali-activated slags
Kai Gong, Yongqiang Cheng, Luke L. Daemen +1
In this study, in situ quasi-elastic neutron scattering (QENS) has been employed to probe the water dynamics and reaction mechanisms occurring during the formation of NaOH- and Na2…