Publications of the Atomistic Modelling GroupThis list consists only of publications since the formation of the group "Atomistic Modelling of Material Interfaces". If you click on an author's name, you will be directed to the authors complete MPS publication list.

Publications of Dierk Raabe

Journal Article (878)

1.
Journal Article
Zhou, X.; Bienvenu, B.; Wu, Y.; Kwiatkowski da Silva, A.; Ophus, C.; Raabe, D.: Complexions at the iron-magnetite interface. Nature Communications 16 (1), 2705 (2025)
2.
Journal Article
Shoji Aota, L.; Jung, C.; Zhang, S.; Büyükuslu, Ö.; Saksena, A.; Hatipoglu, E.; Yadav, P.; Pratap Singh, M.; Chen, X.; Woods, E. et al.; Scheu, C.; Kim, S.-H.; Raabe, D.; Gault, B.: Grain Boundaries Control Lithiation of Solid Solution Substrates in Lithium Metal Batteries. Advanced Science 12 (4), 2409275 (2025)
3.
Journal Article
Schönfeldt, M.; Rossa, J.; Opelt, K.; Schäfer, K.; Schäfer, L.; Maccari, F.; Jovičević-Klug, M.; Schwarz, T.; Lin, C.-C.; Hasan, M. et al.; Gassmann, J.; Raabe, D.; Gutfleisch, O.: Functional recycling of grain boundary diffusion processed Nd–Fe–B sintered magnets. Acta Materialia 283, 120532 (2025)
4.
Journal Article
Hachet, G.; Tehranchi, A.; Shi, H.; Prabhakar, J. M.; Wei, S.; Angenendt, K.; Zaefferer, S.; Gault, B.; Sun, B.; Ponge, D. et al.; Raabe, D.: Segregation at prior austenite grain boundaries: The competition between boron and hydrogen. International Journal of Hydrogen Energy 95, pp. 734 - 746 (2024)
5.
Journal Article
Han, L.; Sun, Z.; Xia, W.; Tsai, S.-P.; Zhang, X.; Rao, J.; Wang, P.; Wang, P.; Ngo, A.; Li, Z. et al.; Liu, Y.; Raabe, D.: Thermodynamics-Guided High-Throughput Discovery of Eutectic High-Entropy Alloys for Rapid Solidification. Advanced Science 11 (31), 2401559 (2024)
6.
Journal Article
Sasidhar, K. N.; Hamidi Siboni, N.; Mianroodi, J. R.; Rohwerder, M.; Neugebauer, J.; Raabe, D.: Enhancing corrosion-resistant alloy design through natural language processing and deep learning. Science Advances 9 (32), eadg7992 (2024)
7.
Journal Article
Bauer, S.; Benner, P.; Bereau, T.; Blum, V.; Boley, M.; Carbogno, C.; Catlow, C. R. A.; Dehm, G.; Eibl, S.; Ernstorfer, R. et al.; Fekete, A.; Foppa, L.; Fratzl, P.; Freysoldt, C.; Gault, B.; Ghiringhelli, L. M.; Giri, S. K.; Gladyshev, A.; Goyal, P.; Hattrick-Simpers, J.; Kabalan, L.; Karpov, P.; Khorrami, M. S.; Koch, C.; Kokott, S.; Kosch, T.; Kowalec, I.; Kremer, K.; Leitherer, A.; Li, Y.; Liebscher, C.; Logsdail, A. J.; Lu, Z.; Luong, F.; Marek, A.; Merz, F.; Mianroodi, J. R.; Neugebauer, J.; Pei, Z.; Purcell, T.; Raabe, D.; Rampp, M.; Rossi, M.; Rost, J.-M.; Saal, J. E.; Saalmann, U.; Sasidhar, K. N.; Saxena, A.; Sbailo, L.; Scheidgen, M.; Schloz, M.; Schmidt, D. F.; Teshuva, S.; Trunschke, A.; Wei, Y.; Weikum, G.; Xian, R. P.; Yao, Y.; Yin, J.; Zhao, M.; Scheffler, M.: Roadmap on Data-Centric Materials Science. Modelling and Simulation in Materials Science and Engineering 32 (6), 063301 (2024)
8.
Journal Article
Özgün, Ö.; Dirba, I.; Gutfleisch, O.; Ma, Y.; Raabe, D.: Green Ironmaking at Higher H2 Pressure: Reduction Kinetics and Microstructure Formation During Hydrogen-Based Direct Reduction of Hematite Pellets. Journal of Sustainable Metallurgy 10, pp. 1127 - 1140 (2024)
9.
Journal Article
Mooraj, S.; Dong, X.; Zhang, S.; Zhang, Y.; Ren, J.; Guan, S.; Li, C.; Naorem, R.; Argibay, N.; Chen, W. et al.; Yan, W.; Raabe, D.; Sun, Z.; Chen, W.: Crack mitigation in additively manufactured AlCrFe2Ni2 high-entropy alloys through engineering phase transformation pathway. Communications Materials 5, 101 (2024)
10.
Journal Article
Jovičević-Klug, M.; Ma, Y.; Jovičević-Klug, P.; Prabhakar, J. M.; Rohwerder, M.; Raabe, D.: Thermal Kinetics and Nitriding Effect of Ammonia-Based Direct Reduction of Iron Oxides. ACS Sustainable Chemistry & Engineering 12 (26), pp. 9882 - 9896 (2024)
11.
Journal Article
Souza Filho, I. R.; Kwiatkowski da Silva, A.; Büyükuslu, Ö.; Raabe, D.; Springer, H.: Sustainable Ironmaking Toward a Future Circular Steel Economy: Exploiting a Critical Oxygen Concentration for Metallurgical Cu Removal from Scrap-Based Melts. Steel Research International 95 (5), 2300785 (2024)
12.
Journal Article
Chen, X.; Zhou, X.; De Geuser, F.; Kwiatkowski da Silva, A.; Zhao, H.; Woods, E.; Liu, C.; Ponge, D.; Gault, B.; Raabe, D.: Atom probe tomography-assisted kinetic assessment of spinodal decomposition in an Al-12.5 at.%Zn alloy. Acta Materialia 268, 119757 (2024)
13.
Journal Article
Choisez, L.; Hemke, K.; Özgün, Ö.; Pistidda, C.; Jeppesen, H.; Raabe, D.; Ma, Y.: Hydrogen-based direct reduction of combusted iron powder: Deep pre-oxidation, reduction kinetics and microstructural analysis. Acta Materialia 268, 119752 (2024)
14.
Journal Article
Raabe, D.: Metalle Ex-Machina. Physik in unserer Zeit 55 (2), pp. 72 - 79 (2024)
15.
Journal Article
Delis, W. J.; Huckfeldt, P. C.; Hallstedt, B.; Sun, P.-L.; Raabe, D.; Korte-Kerzel, S.; Sandlöbes-Haut, S.: Influence of Al and Ca on the Ductility of Mg–Al–Ca Alloys. Advanced Engineering Materials 26 (4), 2301071 (2024)
16.
Journal Article
Huo, H.; Jiang, M.; Bai, Y.; Ahmed, S.; Volz, K.; Hartmann, H.; Henss, A.; Veer Singh, C.; Raabe, D.; Janek, J.: Chemo-mechanical failure mechanisms of the silicon anode in solid-state batteries. Nature Materials 23 (4), pp. 543 - 551 (2024)
17.
Journal Article
Jovičević-Klug, M.; Souza Filho, I. R.; Springer, H.; Adam, C.; Raabe, D.: Green steel from red mud through climate-neutral hydrogen plasma reduction. Nature 625, pp. 703 - 709 (2024)
18.
Journal Article
Zhao, H.; Yin, Y.; Wu, Y.; Zhang, S.; Mingers, A. M.; Ponge, D.; Gault, B.; Rohwerder, M.; Raabe, D.: How solute atoms control aqueous corrosion of Al-alloys. Nature Communications 15 (1), 561 (2024)
19.
Journal Article
Elkot, M.; Sun, B.; Zhou, X.; Ponge, D.; Raabe, D.: On the formation and growth of grain boundary k-carbides in austenitic high-Mn lightweight steels. Materials Research Letters 12 (1), pp. 10 - 16 (2024)
20.
Journal Article
Favelukis, B.; Chakrabartty, S.; Kumar, V.; Kim, S.-H.; El-Zoka, A.; Krämer, M.; Gault, B.; Raabe, D.; Noam, E.; Natan, A. et al.; Sokol, M.; Rosen, B. A.: Improved Durability of Ti3C2Tz at Potentials above the Reversible Hydrogen Electrode by Tantalum Substitution. Advanced Functional Materials 34 (10), 2309749 (2024)
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