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 Jaber Rezaei Mianroodi

Journal Article (34)

1.
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)
2.
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)
3.
Journal Article
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)
4.
Journal Article
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)
5.
Journal Article
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)
6.
Journal Article
Zhou, X.; Bai, Y.; El-Zoka, A.; Kim, S.-H.; Ma, Y.; Liebscher, C.; Gault, B.; Mianroodi, J. R.; Dehm, G.; Raabe, D.: Effect of Pore Formation on Redox-Driven Phase Transformation. Physical Review Letters 130, 168001 (2023)
7.
Journal Article
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)
8.
Journal Article
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)
9.
Journal Article
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)
10.
Journal Article
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)
11.
Journal Article
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)
12.
Journal Article
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)
13.
Journal Article
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)
14.
Journal Article
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)
15.
Journal Article
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)
16.
Journal Article
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)
17.
Journal Article
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)
18.
Journal Article
Xu, S.; Mianroodi, J. R.; Hunter, A. G. M.; Svendsen, B.; Beyerlein, I. J.: Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al. International Journal of Plasticity 129, 102689 (2020)
19.
Journal Article
Mianroodi, J. R.; Svendsen, B.: Effect of Twin Boundary Motion and Dislocation-Twin Interaction on Mechanical Behavior in Fcc Metals. Materials 13 (10), 2238 (2020)
20.
Journal Article
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)
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