Chemical transformations and transport phenomena at interfaces
Interfaces, the boundary that separates two or more chemical compositions and/or phases of
matter, alters basic chemical and physical properties including the thermodynamics of …
matter, alters basic chemical and physical properties including the thermodynamics of …
Advances in imaging, scattering, spectroscopy, and machine learning-aided approaches for multiscale characterization of cementitious systems
Recent progress in methods used in the multiscale characterization of cementitious systems
is reviewed, focusing on advances in imaging, scattering, and spectroscopy. The review …
is reviewed, focusing on advances in imaging, scattering, and spectroscopy. The review …
Ultra‐high temperature molten oxide electrochemistry
Recently, the ultra‐high temperature electrochemistry (UTE, about> 1000° C) has emerged,
which represents an exploration to extend the temperature limit of human technology in …
which represents an exploration to extend the temperature limit of human technology in …
Roles of MnO and MgO on structural and thermophysical properties of SiO2-MnO-MgO-B2O3 welding Fluxes: A molecular dynamics study
Abstract Partially substituting MnO with MgO appears to be a promising approach to
enhance the overall performance of SiO 2–MnO–MgO–B 2 O 3 fluxes towards submerged …
enhance the overall performance of SiO 2–MnO–MgO–B 2 O 3 fluxes towards submerged …
Predicting CaO-(MgO)-Al2O3-SiO2 glass reactivity in alkaline environments from force field molecular dynamics simulations
In this investigation, force field-based molecular dynamics (MD) simulations have been
employed to generate detailed structural representations for a range of amorphous …
employed to generate detailed structural representations for a range of amorphous …
Elucidating the impact of chemical variability on the nano-structure of Fe-rich slags
Fe-rich silicate slags are promising resources in the production of alternative cementitious
materials. In this investigation, molecular dynamics simulations have been employed to …
materials. In this investigation, molecular dynamics simulations have been employed to …
Time-dependent phase quantification and local structure analysis of hydroxide-activated slag via X-ray total scattering and molecular modeling
Here, an approach to quantify the amorphous-to-disordered/crystalline transformation
occurring in NaOH-activated ground granulated blast-furnace slag (GGBS) is outlined that …
occurring in NaOH-activated ground granulated blast-furnace slag (GGBS) is outlined that …
Nanostructural Evolution of Calcium-Containing Alkali-Activated Metakaolin During High Temperature Exposure
KML Alventosa, CE White - The Journal of Physical Chemistry C, 2024 - ACS Publications
Alkali-activated metakaolin (AAMK) is a known low CO2 alternative material to ordinary
Portland cement, where CO2 emissions can be lowered even further via the use of reduced …
Portland cement, where CO2 emissions can be lowered even further via the use of reduced …
Unveiling Charge Compensation Effects in Na2O–Al2O3–SiO2 Melts: Atomic-Scale Mechanisms and Implications for Fluidity from AIMD Simulations
L Gao, X Liu, J Bai, L Kong, Z Bai… - The Journal of Physical …, 2024 - ACS Publications
The charge compensation effect of alkaline leads to the unexpected rise in slag viscosity
and the shutdown of industrial processes such as coal gasification and other processes …
and the shutdown of industrial processes such as coal gasification and other processes …
Development of physics-based compositional parameters for predicting the reactivity of amorphous aluminosilicates in alkaline environments
The reactivity of amorphous aluminosilicates in alkaline environments is important for many
applications, including blended Portland cements and alkali-activated materials (AAMs) …
applications, including blended Portland cements and alkali-activated materials (AAMs) …