Publications

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.; 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)

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)

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)

Mianroodi, J. R.; Rezaei, S.; Hamidi Siboni, N.; Xu, B.-X.; Raabe, D.: Lossless Multi-Scale Constitutive Elastic Relations with Artificial Intelligence. Condensed Matter: Materials Science (2021)

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)

Zhou, X.; Mianroodi, J. R.; Kwiatkowski da Silva, A.; Koenig, T.; Thompson, G. B.; Shanthraj, P.; Ponge, D.; Gault, B.; Svendsen, B.; Raabe, D.: The hidden structure dependence of the chemical life of dislocations. Science Advances 7 (16), eabf0563 (2021)

Mianroodi, J. R.; Shanthraj, P.; Svendsen, B.; Raabe, D.: Phase-field modeling of chemoelastic binodal/spinodal relations and solute segregation to defects in binary alloys. Materials 14 (7), 1787 (2021)

Rezaei, S.; Mianroodi, J. R.; Brepols, T.; Reese, S.: Direction-dependent fracture in solids: Atomistically calibrated phase-field and cohesive zone model. Journal of the Mechanics and Physics of Solids 147, 104253 (2021)

Mianroodi, J. R.; Hamidi Siboni, N.; Raabe, D.: Teaching solid mechanics to artificial intelligence—a fast solver for heterogeneous materials. npj Computational Materials 7, 99 (2021)

Rezaei, S.; Mianroodi, J. R.; Khaledi, K.; Reese, S.: A nonlocal method for modeling interfaces: Numerical simulation of decohesion and sliding at grain boundaries. Computer Methods in Applied Mechanics and Engineering 362, 112836 (2020)

Wu, X.; Makineni, S. K.; Liebscher, C.; Dehm, G.; Mianroodi, J. R.; Shanthraj, P.; Svendsen, B.; Bürger, D.; Eggeler, G. F.; Raabe, D. et al.; Gault, B.: Unveiling the Re effect in Ni-based single crystal superalloys. Nature Communications 11, 389 (2020)

Mianroodi, J. R.; Shanthraj, P.; Kontis, P.; Cormier, J.; Gault, B.; Svendsen, B.; Raabe, D.: Atomistic phase field chemomechanical modeling of dislocation-solute-precipitate interaction in Ni–Al–Co. Acta Materialia 175, pp. 250 - 261 (2019)

Lilensten, L.; Kürnsteiner, P.; Mianroodi, J. R.; Cervellon, A.; Moverare, J.; Segersäll, M.; Antonov, S.; Kontis, P.: Segregation of Solutes at Dislocations: A New Alloy Design Parameter for Advanced Superalloys. In: The Minerals, Metals & Materials Series, pp. 41 - 51. The 14th International Symposium on Superalloys , Seven Springs , PA, USA, September 12, 2021 - September 16, 2021. (2020)