Bu, Y.; Li, K.; Ma, Y.; Liang, Z.; Jianliang, Z.; Raabe, D.: Atomistic view of green steel: simulation of early-stage direct reduction of wüstite (FeO) by hydrogen. Chemical Engineering Science 326, 123611 (2026)
Trinca, A.; Verdone, N.; Özgün, Ö.; Ma, Y.; Filho, I.; Raabe, D.; Vilardi, G.: Sustainable ironmaking from low-grade iron ores: A kinetic study on thermal decomposition and reduction of iron (II) oxalate. Journal of Environmental Chemical Engineering 13 (6), 119573 (2025)
Dong, X.; Wei, S.; Tehranchi, A.; Saksena, A.; Ponge, D.; Sun, B.; Raabe, D.: The dual role of boron on hydrogen embrittlement: example of interface-related hydrogen effects in an austenite-ferrite two-phase lightweight steel. Acta Materialia 299, 121458 (2025)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
In this project, we employ atomistic computer simulations to study grain boundaries. Primarily, molecular dynamics simulations are used to explore their energetics and mobility in Cu- and Al-based systems in close collaboration with experimental works in the GB-CORRELATE project.
This project is a joint project of the De Magnete group and the Atom Probe Tomography group, and was initiated by MPIE’s participation in the CRC TR 270 HOMMAGE. We also benefit from additional collaborations with the “Machine-learning based data extraction from APT” project and the Defect Chemistry and Spectroscopy group.