Publications
Department Microstructure Physics and Alloy Design

Bienvenu, B.; Todorova, M.; Neugebauer, J.; Raabe, D.; Mrovec, M.; Lysogorskiy, Y.; Drautz, R.: Development of an atomic cluster expansion potential for iron and its oxides. npj Computational Materials 11 (1), 81 (2025)

Shankar, S.; Ratzker, B.; Ma, Y.; Raabe, D.: Hydrogen-based direct reduction of multicomponent oxides: Insights from powder and pre-sintered precursors toward sustainable alloy design. Acta Materialia 301, 121528 (2025)

Syed, F.; Saikia, U.; Sun, B.; Kiranbabu, S.; Tehranchi, A.; Hickel, T.; Zaefferer, S.; Ponge, D.: Interfacial segregation of carbon atoms: the competition between grain boundaries and phase boundaries. Scripta Materialia 268, 116842 (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)

Kim, M.; Kiranbabu, S.; Ponge, D.; Soo Park, E.: Prediction of reversion kinetics in medium Mn steel by linking real experimental data with diffusion simulation. Materials and Design 258, 114631 (2025)

Nallathambi, V.; Kim, S.-H.; Mingers, A. M.; Ebbinghaus, P.; Gault, B.; Reichenberger, S.; Raabe, D.; Barcikowski, S.: Kinetically Controlling Surface Atom Arrangements in Thermally Robust, Amorphous High-Entropy Alloy Nanoparticles by Solvent Selection. Advanced Science n/a (n/a), e10537 (2025)

Chen, X.; Gonçalves, W.; Hu, Y.; Gao, Y.; Harrison, P.; Dehm, G.; Gault, B.; Ludwig, W.; Rauch, E.; Zhou, X. et al.; Raabe, D.: Secondary grain boundary dislocations alter segregation energy spectra. Nature Communications 16 (1), 8422 (2025)

Katnagallu, S.; Mattoso, S. H.; Zhao, H.; Kim, S.-H.; Yang, J.; Gault, B.; Freysoldt, C.; Neugebauer, J.: Electric field induced formation of a two-dimensional adatom gas on cryogenic Li surfaces. Physical Review B 112 (11), 115426 (2025)

Löser, R.; Joshi, Y.; Talei, R.; Ebbinghaus, P.; Schmitz, G.: Electro-chemo-mechanical behavior of a layered cathode material upon cycling. Acta Materialia 297, 121155 (2025)

Nallathambi, V.; Gabriel, P.; Chen, X.; Rao, Z.; Skokov, K.; Gutfleisch, O.; Barcikowski, S.; Ziefuss, A.; Gault, B.: Effect of Ag nano-additivation on microstructure formation in Nd-Fe-B magnets built by laser powder bed fusion. Acta Materialia 297, 121353 (2025)

Nutor, R.; Ruffino, M.; Miles, A.; Joshi, Y.; Woods, E.; Kamran Bhat, M.; Jannat, S.; Manzoor, U.; Souza Filho, I. R.; Raabe, D. et al.; Gault, B.: Enabling circularity of copper through nanoscale impurity control. Acta Materialia 297, 121373 (2025)

Shi, H.; Hachet, G.; Cheng, H.; Prithiv, T. S.; Ponge, D.; Sun, B.: Improving hydrogen embrittlement resistance of martensitic steel via interface B segregation. International Journal of Hydrogen Energy 164, 150954 (2025)

Leray, A.; Rabuel, F.; Dugas, R.; Ji, H.; Shoji Aota, L.; Gault, B.; Tarascon, J.; Larcher, D.: Li-Mg alloys as anode for Li batteries in liquid electrolytes: Preparation, shaping, characterization and parametric electrochemical study. Energy Storage Materials 81, 104506 (2025)

Srinivas Varanasi, R.; Waseda, O.; Syed, F. W.; Prithiv, T. S.; Gault, B.; Neugebauer, J.; Ponge, D.: Temperature and misorientation-dependent austenite nucleation at ferrite grain boundaries in a medium manganese steel: role of misorientation-dependent grain boundary segregation. Acta Materialia 296, 121242 (2025)

Paul, S.; Kanesalingam, B.; Ma, Y.; Villanova, J.; Requena, G.; Akpu, S.; Raabe, D.; Battiato, I.; Dresselhaus-Marais, L.: A percolating path to green iron. Cell Reports Physical Science 6 (8), 102729 (2025)

Shi, H.; Zhang, X.; Liu, C.; Gong, X.; Li, Y.; Azmi, R.; Gong, Y.; Ponge, D.; Weisenburger, A.; Müller, G.: Exceptional high-temperature corrosion resistance of multi-component alloys via modulating Al and Nb. Corrosion Science 253, 112990, p. 112990 (2025)

Zhang, S.; Shoji Aota, L.; Singh, M.; Woods, E.; Périer Jouet, F.; Schwarz, T.; Gault, B.: Atom Probe Tomography of Hydrated Biomacromolecules: Preliminary Results. Microscopy and Microanalysis 31 (4), ozaf075 (2025)

Büyükuslu, Ö.; Yang, F.; Raabe, D.; To Baben, M.; Ravensburg, A.: Using Thermodynamics and Microstructure to Mitigate Overfitting in Pellet Reduction Models. steel research international, 2500263 (2025)

Pauna, H.; Souza Filho, I. R.; Kulse, M.; Jovičević-Klug, M.; Springer, H.; Huttula, M.; Fabritius, T.; Raabe, D.: In Situ Observation of Sustainable Hematite-Magnetite-Wustite-Iron Hydrogen Plasma Reduction. Metallurgical and Materials Transactions B 56 (4), pp. 3938 - 3949 (2025)

Ratzker, B.; Ruffino, M.; Shankar, S.; Raabe, D.; Ma, Y.: Elucidating the microstructure evolution during hydrogen-based direct reduction via a case study of single crystal hematite. Acta Materialia 294, 121174 (2025)