Future and emerging supplementary cementitious materials

R Snellings, P Suraneni, J Skibsted - Cement and concrete research, 2023 - Elsevier
To sustain the decarbonization of the cement industry, identifying new sources of
supplementary cementitious materials (SCMs) is crucial. This review paper examines recent …

[HTML][HTML] Interatomic potentials for oxide glasses: Past, present, and future

A Pedone, M Bertani, L Brugnoli, A Pallini - Journal of Non-Crystalline …, 2022 - Elsevier
The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …

Hydration of blended cement with high volume iron-rich slag from non-ferrous metallurgy

V Hallet, MT Pedersen, B Lothenbach… - Cement and Concrete …, 2022 - Elsevier
The hydration of blended cements with up to 70 wt% iron-rich slag was investigated.
Isothermal calorimetry revealed a retarding effect of the slag on Portland cement hydration …

Correlation study between microstructure and fluidity of molten slag during co-gasification of coal and indirect coal liquefaction residue: Molecular dynamics simulation

L Zhang, J Wei, Y Bai, X Song, J Wang, W Su, P Lv… - Fuel, 2022 - Elsevier
Co-gasification of indirect coal liquefaction residues (ICLR) and coal is an effective way to
achieve harmless and sustainable treatment of hazardous wastes. The long-term and stable …

Evaluation of copper slag and stainless steel slag as replacements for blast furnace slag in binary and ternary alkali-activated cements

L Stefanini, S Ghorbani, G De Schutter… - Journal of Materials …, 2023 - Springer
Commonly used alkali activation precursors such as blast furnace slag and fly ash will soon
become less available due to resource competition, and may cease to be produced in …

Influence of CaO/FeO ratio on the formation mechanism and properties of alkali-activated Fe-rich slags

C Siakati, AP Douvalis, V Hallet, A Peys… - Cement and Concrete …, 2021 - Elsevier
In the search for CO 2 mitigating cement technologies, alkali-activated Fe-rich slags present
a possible alternative. The influence of the chemical composition of the synthetic Fe-silicate …

Simulation and experimental study on the effect of iron on the structure and flow properties of coal ash slag

L Zhang, X Song, J Wei, J Yang, P Lv, W Su… - Chemical Engineering …, 2023 - Elsevier
Slag fluidity is an important parameter affecting the stable operation of the gasifier. Above
liquid temperature, slag fluidity is closely related to its structure. In the present study, the …

[HTML][HTML] Gaining insights on high-temperature thermal conductivity and structure of oxide melts through experimental and molecular dynamics simulation study

J Yang, Y Kim, I Sohn - Journal of Materials Research and Technology, 2021 - Elsevier
The high-temperature thermal conductivity of CaO–Al 2 O 3–B 2 O 3 melts was measured
using the hot-wire method between 1550 and 1850 K. From the structural analysis of the as …

Predicting CaO-(MgO)-Al2O3-SiO2 glass reactivity in alkaline environments from force field molecular dynamics simulations

K Gong, CE White - Cement and Concrete Research, 2021 - Elsevier
In this investigation, force field-based molecular dynamics (MD) simulations have been
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

C Siakati, J Vekeman, F Tielens, D Seveno… - Journal of Non …, 2023 - Elsevier
Fe-rich silicate slags are promising resources in the production of alternative cementitious
materials. In this investigation, molecular dynamics simulations have been employed to …