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 (893)

1.
Journal Article
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)
2.
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)
3.
Journal Article
Mohammed, W.; Chen, X.; Ponge, D.; Raabe, D.: Thermodynamics-guided design of sustainable secondary Al-Si alloys for enhanced Fe-impurity tolerance and optimized Mn doping. Acta Materialia 289, 120932 (2025)
4.
Journal Article
Putaala, H.-R.; Pauna, H.; Javed, A.; Manzoor, U.; Klapproth, D.; Souza Filho, I. R.; Visuri, V.-V.; Ganguly, A.; Huttula, M.; Fabritius, T. et al.; Raabe, D.: Effect of Furnace Parameters on Optical Emission Spectra of Hematite Reduction by Hydrogen Plasma. Metallurgical and Materials Transactions B (2025)
5.
Journal Article
Wu, C.; Gong, Y.; Liu, C.; Li, X.; Gizer, G.; Pistidda, C.; Körmann, F.; Ma, Y.; Neugebauer, J.; Raabe, D.: Hydrogen accommodation and its role in lattice symmetry in a TiNbZr medium-entropy alloy. Acta Materialia 288, 120852 (2025)
6.
Journal Article
Chen, X.; De Geuser, F.; Kwiatkowski da Silva, A.; Liu, C.; Woods, E.; Ponge, D.; Gault, B.; Raabe, D.: Using Spinodal Decomposition to Investigate Diffusion Enhancement and Vacancy Population. Advanced Science 12 (14), 2412060 (2025)
7.
Journal Article
Luo, H.; Pan, Z.; Yang, T.; Chang, W.; Zhang, D.; Cheng, H.; Li, X.; Raabe, D.: A high-entropy alloy for superior resistance to biogenic sulfuric acid corrosion and hydrogen embrittlement. Matter 8 (3), 101944 (2025)
8.
Journal Article
Huo, H.; Bai, Y.; Benz, S.; Weintraut, T.; Wang, S.; Henss, A.; Raabe, D.; Janek, J.: Decoupling the Effects of Interface Chemical Degradation and Mechanical Cracking in Solid-State Batteries with Silicon Electrode. Advanced Materials 37 (7), 2415006 (2025)
9.
Journal Article
Wu, C.; Shoji Aota, L.; Rao, J.; Zhang, X.; Perrière, L.; Duarte, M. J.; Raabe, D.; Ma, Y.: Hydrogen-assisted spinodal decomposition in a TiNbZrHfTa complex concentrated alloy. Acta Materialia 285, 120707 (2025)
10.
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)
11.
Journal Article
Motahari, S.; Liu, C.; Bai, Y.; Khorrami, M. S.; Raabe, D.: Microstructure-sensitive crystal plasticity and phase-field modeling of deformation and fracture in polycrystalline ice. Acta Materialia 283, 120512 (2025)
12.
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)
13.
Journal Article
Wei, S.; Ma, Y.; Raabe, D.: Reactive vapor-phase dealloying-alloying turns oxides into sustainable bulk nano-structured porous alloys. Science Advances 10 (51), eads2140 (2024)
14.
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)
15.
Journal Article
Han, L.; Mu, W.; Wei, S.; Liaw, P.; Raabe, D.: Sustainable high-entropy materials? Science Advances 10 (50), eads3926 (2024)
16.
Journal Article
Han, L.; Peter, N.; Maccari, F.; Kovács, A.; Wang, J.; Zhang, Y.; Xie, R.; Wu, Y.; Schwaiger, R.; Zhang, H. et al.; Li, Z.; Gutfleisch, O.; Dunin-Borkowski, R.; Raabe, D.: Two-gigapascal-strong ductile soft magnets. Nature Communications 15 (1), 10119 (2024)
17.
Journal Article
Han, L.; Zhu, S.; Rao, Z.; Scheu, C.; Ponge, D.; Ludwig, A.; Zhang, H.; Gutfleisch, O.; Hahn, H.; Li, Z. et al.; Raabe, D.: Multifunctional high-entropy materials. Nature Reviews Materials 9 (12), pp. 846 - 865 (2024)
18.
Journal Article
Zhu, S.; Yan, D.; Zhang, Y.; Han, L.; Raabe, D.; Li, Z.: Strong and ductile Resinvar alloys with temperature- and time-independent resistivity. Nature Communications 15 (1), 7199 (2024)
19.
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)
20.
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)
Go to Editor View