Publications

Zhou, X.; Kumar, S.; Zhang, S.; Chen, X.; Gault, B.; Dehm, G.; Hickel, T.; Raabe, D.: Boron triggers grain boundary structural transformation in steel. Nature Communications 16 (1), 6927 (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)

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)

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)

Wang, Y.; Chen, X.; Zhao, H.; Sun, W.; Zhang, Q.; Gault, B.; Hutchinson, C.: Effect of cluster chemistry on the strengthening of Al alloys. Acta Materialia 269, 119809 (2024)

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)

Wang, Y.; Zhao, H.; Chen, X.; Gault, B.; Brechet, Y.; Hutchinson, C.: The effect of shearable clusters and precipitates on dynamic recovery of Al alloys. Acta Materialia 265, 119643 (2024)

Filiatraut, A. N.; Mianroodi, J. R.; Hamidi Siboni, N.; Zanjani, M. B.: Predicting micro/nanoscale colloidal interactions through local neighborhood graph neural networks. Journal of Applied Physics 134 (23), 234702 (2023)

Yao, Z.; Chen, Z.; Ouyang, M.; Chen, X.; Yang, M.; Li, Z.; Wang, C.; Yang, T.; Shi, R.; Zhong, Z. et al.; Liu, X.: Accelerated discovery of composition-carbide-hardness linkage of Stellite alloys assisted by image recognition. Scripta Materialia 234, 115539 (2023)

Chen, X.; Rezaei Mianroodi, J.; Liu, C.; Zhou, X.; Ponge, D.; Gault, B.; Svendsen, B.; Raabe, D.: Investigation of vacancy trapping by solutes during quenching in aluminum alloys. Acta Materialia 254, 118969 (2023)

Mianroodi, J. R.; Shanthraj, P.; Kwiatkowski da Silva, A.; Svendsen, B.; Raabe, D.: Combined modeling and experimental characterization of Mn segregation and spinodal decomposition along dislocation lines in Fe–Mn alloys. Acta Materialia 251, 118873 (2023)

Raabe, D.; Mianroodi, J. R.; Neugebauer, J.: Accelerating the design of compositionally complex materials via physics-informed artificial intelligence. Nature Computational Science 3 (3), pp. 198 - 209 (2023)

Zheng, S.; Li, C.; Guo, L.; Chen, X.; Huang, Y.; Wang, C.; Yang, S.: Reverse shape memory effect in Cu–Mn–Ga–Mo alloys. Materials Characterization 197, 112679 (2023)

Peivaste, I.; Hamidi Siboni, N.; Alahyarizadeh, G.; Ghaderi, R.; Svendsen, B.; Raabe, D.; Mianroodi, J. R.: Machine-learning-based surrogate modeling of microstructure evolution using phase-field. Computational Materials Science 214, 111750 (2022)

Sasidhar, K. N.; Hamidi Siboni, N.; Mianroodi, J. R.; Rohwerder, M.; Neugebauer, J.; Raabe, D.: Deep learning framework for uncovering compositional and environmental contributions to pitting resistance in passivating alloys. npj Materials Degradation 6 (1), 71 (2022)

Khorrami, M. S.; Mianroodi, J. R.; Svendsen, B.: Finite-deformation phase-field microelasticity with application to dislocation core and reaction modeling in fcc crystals. Journal of the Mechanics and Physics of Solids 164, 104897 (2022)

Bai, Y.; Mianroodi, J. R.; Ma, Y.; Kwiatkowski da Silva, A.; Svendsen, B.; Raabe, D.: Chemo-Mechanical Phase-Field Modeling of Iron Oxide Reduction with Hydrogen. Acta Materialia 231, 117899 (2022)

Ma, Y.; Souza Filho, I. R.; Bai, Y.; Schenk, J.; Patisson, F.; Beck, A.; van Bokhoven, J. A.; Willinger, M. G.; Li, K.; Xie, D. et al.; Ponge, D.; Zaefferer, S.; Gault, B.; Mianroodi, J. R.; Raabe, D.: Hierarchical nature of hydrogen-based direct reduction of iron oxides. Scripta Materialia 213, 114571 (2022)

Mianroodi, J. R.; Shanthraj, P.; Liu, C.; Vakili, S.; Roongta, S.; Hamidi Siboni, N.; Perchikov, N.; Bai, Y.; Svendsen, B.; Roters, F. et al.; Raabe, D.; Diehl, M.: Modeling and simulation of microstructure in metallic systems based on multi-physics approaches. npj Computational Materials 8, 93 (2022)

Kim, S.-H.; Zhang, X.; Ma, Y.; Souza Filho, I. R.; Schweinar, K.; Angenendt, K.; Vogel, D.; Stephenson, L.; El-Zoka, A.; Mianroodi, J. R. et al.; Rohwerder, M.; Gault, B.; Raabe, D.: Influence of Microstructure and Atomic-Scale Chemistry on Iron Ore Reduction with Hydrogen at 700°C. Acta Materialia 212, 116933 (2021)