Publications

Zhang, X.; Zhang, J.; Wang, H.; Rogal, J.; Li, H.-Y.; Wei, S.-H.; Hickel, T.: Defect-characterized phase transition kinetics. Applied Physics Reviews 9 (4), 041311 (2022)

Zhou, D.; Zhang, X.; Tehranchi, A.; Hou, J.; Lu, W.; Hickel, T.; Ponge, D.; Raabe, D.; Zhang, D.: Stacking faults in a mechanically strong Al(Mg)–Al₃Mg₂ composite. Composites Part B: Engineering 245, 110211 (2022)

Goniakowski, J.; Menon, S.; Laurens, G.; Lam, J.: Nonclassical Nucleation of Zinc Oxide from a Physically Motivated Machine-Learning Approach. The Journal of Physical Chemistry C 126 (40), pp. 17456 - 17469 (2022)

Schaarschmidt, J.; Yuan, J.; Strunk, T.; Kondov, I.; Huber, S. P.; Pizzi, G.; Kahle, L.; Bolle, F. T.; Castelli, I. E.; Vegge, T. et al.; Hanke, F.; Hickel, T.; Neugebauer, J.; Rego, C. R. C.; Wenzel, W.: Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials 12 (17), 2102638 (2022)

Pierce, D.T.; Benzing, J. T.; Jiménez, J. A.; Hickel, T.; Bleskov, I.; Keum, J. K.; Raabe, D.; Wittig, J., J. E.: The influence of temperature on the strain-hardening behavior of Fe–22/25/28Mn–3Al–3Si TRIP/TWIP steels. Materialia 22, 101425 (2022)

Bouaziz, J.; Mendive-Tapia, E.; Bluegel, S.; Staunton, J. B.: Fermi-Surface Origin of Skyrmion Lattices in Centrosymmetric Rare-Earth Intermetallics. Physical Review Letters 128 (15), 157206 (2022)

Šestan, A.; Sreekala, L.; Markelj, S.; Kelemen, M.; Zavašnik, J.; Liebscher, C.; Dehm, G.; Hickel, T.; Čeh, M. S.; Novak, S. et al.; Jenuš, P.: Non-uniform He bubble formation in W/W₂C composite: Experimental and ab-initio study. Acta Materialia 226, 117608 (2022)

Mendive-Tapia, E.; Neugebauer, J.; Hickel, T.: Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 105 (16), 064425 (2022)

Zhao, H.; Chakraborty, P.; Ponge, D.; Hickel, T.; Sun, B.; Wu, C.-H.; Gault, B.; Raabe, D.: Hydrogen trapping and embrittlement in high-strength Al-alloys. Nature 602, pp. 437 - 441 (2022)

Srikakulapu, K.; Tung, P.-Y.; Sreekala, L.; Prithiv, T. S.; Hickel, T.; Pippan, R.; Morsdorf, L.; Herbig, M.: Cementite decomposition in 100Cr6 bearing steel during high-pressure torsion: Influence of precipitate composition, size, morphology and matrix hardness. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 833, 142372 (2022)

Sreekala, L.; Dey, P.; Hickel, T.; Neugebauer, J.: Unveiling nonmonotonic chemical trends in the solubility of H in complex Fe–Cr–Mn carbides by means of ab initio based approaches. Physical Review Materials 6 (1), 014403 (2022)

Kim, S.-H.; Yoo, S.-H.; Chakraborty, P.; Jeong, J.; Lim, J.; El-Zoka, A.; Zhou, X.; Stephenson, L.; Hickel, T.; Neugebauer, J. et al.; Scheu, C.; Todorova, M.; Gault, B.: Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering. Journal of the American Chemical Society 144 (2), pp. 987 - 994 (2022)

Neugebauer, J.; Hickel, T.; Körmann, F.; Todorova, M.: Materials design and discovery in high-dimensional chemical and structural configuration spaces. International Conference on Materials Science, Engineering & Technology (Keynote talk), Singapore, Singapore (2022)

Neugebauer, J.; Huber, L.; Holec, D.; Gehringer, D.; Hickel, T.: Defect Phase Diagrams: Concepts, Computational Approaches and Materials Design Strategies. MMM10 Conference, Baltimore, MD, USA (2022)

Neugebauer, J.; Körmann, F.; Hickel, T.: Ab Initio Descriptors to Guide Materials Design in High-dimensional Chemical and Structural Configuration Spaces. TMS Annual Meeting and Exhibition, San Diego, CA, USA (2022)

Neugebauer, J.; Zendegani, A.; Hickel, T.: Construction and Application of Defect Phase Diagrams. TMS Annual Meeting and Exhibition, Anaheim, CA, USA (2022)

Körmann, F.: Introduction to Quantum Mechanics in Solid State Physics. Lecture: WS 2022/2023, Ruhr-Universität Bochum, 2022-10 - 2023-03

Zaefferer, S.; Hickel, T.; Song, W.: Microstructures, Microscopy and Modelling. Lecture: SS 2022, RWTH Aachen University, 2022-04 - 2022-07

Tehranchi, A.; Chakraborty, P.; López Freixes, M.; McEniry, E.; Gault, B.; Hickel, T.; Neugebauer, J.: Tailoring negative pressure by crystal defects: Crack induced hydride formation in Al alloys. arXiv (2022)

Chakraborty, P.; Mouton, I.; Gault, B.; Tehranchi, A.; Neugebauer, J.; Hickel, T.: Effect of Sn on Generalized Stacking Fault Energy Surfaces in Zirconium and its Hydrides. arXiv (2022)