| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Seveno, David
KU Leuven
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2024Challenges and optimisation of nanoparticle dispersion and integration in fibrous composites for energy and shielding applications
- 2023Internal and interfacial microstructure characterization of ice droplets on surfaces by X-ray computed tomographycitations
- 2022Predicting the replication fidelity of injection molded solid polymer microneedlescitations
- 2020Unraveling the nano-structure of a glassy CaO-FeO-SiO2 slag by molecular dynamics simulationscitations
- 2017Wetting and swelling property modifications of elementary flax fibres and their effects on the Liquid Composite Molding processcitations
- 2015Patterned glass fiber surfaces – Route to interface modification?
- 2014Surface energetics evolution during processing of biomass-based furan composite
- 2012Interdiffusion of thermoplastics and epoxy resin precursors: investigations using experimental and molecular dynamics methodscitations
- 2010Superhydrophobic aluminum surfaces by deposition of micelles of fluorinated block copolymerscitations
- 2008Superhydrophobic surfaces from various polypropylenescitations
Places of action
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article
Unraveling the nano-structure of a glassy CaO-FeO-SiO2 slag by molecular dynamics simulations
Abstract
<p>Non-ferrous metallurgy slags are gaining significant interest as a resource in the production of alternative low-energy cementitious materials. Their atomistic structures, however, are still not fully understood due to their glassy nature. In the work presented herein, a comprehensive description of the nano-structure of a CaO-FeO-SiO<sub>2</sub> slag was obtained by using molecular dynamic simulations in conjunction with previously obtained experimental data from X-ray and neutron pair distribution function studies. Iron was predominately 4- and 5-fold coordinated with oxygen, forming polyhedra in tetrahedral and pyramidal/triangular bipyramidal configuration. The [FeO<sub>x</sub>] polyhedra were corner-shared to the silica tetrahedra, while the higher coordinated fractions (x = 5 or 6) seemed to prefer to be next to each other, sharing edges. Ca was mostly surrounded by 6 or 7 oxygens in polyhedra that are predominantly edge-sharing with other units. The obtained results fit the experimental data well and as such provide an accurate and realistic picture of the iron-rich slag structure.</p>