Open Access Publications 
Department Microstructure Physics and Alloy Design

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)

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)

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)

Karpstein, N.; Laplanche, G.; Saksena, A.; Zehl, R.; Bezold, A.; Horst, O.; Bürger, D.; Kostka, A.; Zenk, C.; Neumeier, S. et al.; Gault, B.; Ludwig, A.; Fries, S.; Spiecker, E.: Microscopic mechanism of the L12-D019 phase transformation in a Co-base single crystal superalloy. Acta Materialia 282, 120416 (2025)

Gabriel, P.; Nallathambi, V.; Liu, J.; Staab, F.; Oyedeji, T.; Yang, Y.; Hantke, N.; Adabifiroozjaei, E.; Recalde-Benitez, O.; Molina-Luna, L. et al.; Rao, Z.; Gault, B.; Sehrt, J.; Scheibel, F.; Skokov, K.; Xu, B.-X.; Durst, K.; Gutfleisch, O.; Barcikowski, S.; Ziefuss, A.: Boosting Coercivity of 3D Printed Hard Magnets through Nano-Modification of the Powder Feedstock. Advanced Science 11 (46), 2407972 (2024)

Knowles, A. J.; Cheung, T. Y. S.; Ma, K.; Dodds, R.; Humphry-Baker, S. A.; Ferraz Morgado, F.; Morgado, F. F.; Katnagallu, S.; Saiz, E.; Gault, B. et al.; Hardie, C. D.; Dye, D.: Spinodally reinforced W–Cr fusion armour. Applied Materials Today 41, 102430 (2024)

Yu, J.; Wang, Z.; Saksena, A.; Wei, S.; Wei, Y.; Colnaghi, T.; Marek, A.; Rampp, M.; Song, M.; Gault, B. et al.; Li, Y.: 3D deep learning for enhanced atom probe tomography analysis of nanoscale microstructures. Acta Materialia 278, 120280 (2024)

Jovičević-Klug, P.; Bonnekoh, C.; Jovičević-Klug, M.; Ambrožič, B.; Dražić, G.; Miłosz, Z.; Ma, Y.; McCarroll, I.; Breitbach, B.; Amati, M. et al.; Gregoratti, L.; Rieth, M.; Rohwerder, M.: Designing advanced high-Cr ferrous alloys for next-generation energy applications through cryogenic processing. Applied Surface Science 665, 160290 (2024)

Torkornoo, S.; Bohner, M.; McCarroll, I.; Gault, B.: Optimization of Parameters for Atom Probe Tomography Analysis of β-Tricalcium Phosphates. Microscopy and Microanalysis 30 (6), pp. 1074 - 1082 (2024)

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)

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)

Li, Y.; Colnaghi, T.; Gong, Y.; Zhang, H.; Yu, Y.; Wei, Y.; Gan, B.; Song, M.; Marek, A.; Rampp, M. et al.; Zhang, S.; Pei, Z.; Wuttig, M.; Ghosh, S.; Körmann, F.; Neugebauer, J.; Wang, Z.; Gault, B.: Machine Learning-Enabled Tomographic Imaging of Chemical Short-Range Atomic Ordering. Advanced Materials 36 (44), 2407564 (2024)

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)

Schwarz, T.; Yang, J.; Aota, L. S.; Woods, E.; Zhou, X.; Neugebauer, J.; Todorova, M.; McCarroll, I.; Gault, B.: Quasi-“In Situ” Analysis of the Reactive Liquid-Solid Interface during Magnesium Corrosion Using Cryo-Atom Probe Tomography. Advanced Materials 36 (32), 2401735 (2024)

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)

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)

Sun, B.; Zhao, H.; Dong, X.; Teng, C.; Zhang, A.; Kong, S.; Zhou, J.; Zhang, X.; Tu, S.-T.: Current challenges in the utilization of hydrogen energy-a focused review on the issue of hydrogen-induced damage and embrittlement. Advances in Applied Energy 14, 100168 (2024)

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)

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)

Woods, E.; Saksena, A.; El-Zoka, A.; Stephenson, L.; Schwarz, T.; Singh, M. P.; Aota, L. S.; Kim, S.-H.; Schneider, J.; Gault, B.: Nanoporous Gold Thin Films as Substrates to Analyze Liquids by Cryo-atom Probe Tomography. Microscopy and Microanalysis 30 (6), pp. 1172 - 1180 (2024)