Publications

Tehranchi, A.; Chakraborty, P.; López Freixes, M.; McEniry, E.; Gault, B.; Hickel, T.; Neugebauer, J.: Tailoring negative pressure by crystal defects: Microcrack induced hydride formation in Al alloys. Physical Review Materials 7, 105401 (2023)

Sarma, D.; Saikia, U.; Sahariah, M. B.: He clustering and role of vacancy in CuZr system. Journal of Nuclear Materials 583, 154488 (2023)

Saikia, U.; Sahariah, M. B.; Dutta, B.; Pandey, R.: Structure, stability and defect energetics of interfaces formed between conventional and transformed phases in Cu–Nb layered nanocomposite. Physica Scripta 98 (6), 065959 (2023)

Tapia, E. M.; Patrick, C. E.; Hickel, T.; Neugebauer, J.; Staunton, J. B.: Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(Fe_xSi_1−x)₁₃. Journal of Physics: Energy 5 (3), 034004 (2023)

Shanmugam, S.; Peterlechner, M.; Iskandar, M. R.; Saikia, U.; Kulitckii, V.; Lipińska-Chwałek, M.; Mayer, J.; Rösner, H.; Hickel, T.; Divinski, S. V. et al.; Wilde, G.: Coherent twin-oriented Al₃Sc-based precipitates in Al matrix. Scripta Materialia 229, 115351 (2023)

Wang, N.; Hammerschmidt, T.; Hickel, T.; Rogal, J.; Drautz, R.: Influence of spin fluctuations on structural phase transitions of iron. Physical Review B 107 (10), 104108 (2023)

Kiranbabu, S.; Qin, Y.; Sreekala, L.; Das, S. M.; Pippan, R.; Morsdorf, L.; Herbig, M.: Decomposition-resistant carbonitride precipitates in X30CrMoN15-1 high-nitrogen bearing steel deformed by high-pressure torsion. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 863, 144529 (2023)

Sözen, H. I.; Ener, S.; Maccari, F.; Fayyazi, B.; Gutfleisch, O.; Neugebauer, J.; Hickel, T.: Combined ab initio and experimental screening of phase stabilities in the Ce–Fe–Ti–X system (X=3d and 4d metals). Physical Review Materials 7 (1), 014410 (2023)

Fareed, A.; Rosalie, J. M.; Kumar, S.; Kar, S.; Hickel, T.; Faehler, S.; Maass, R.: Constrained incipient phase transformation in Ni-Mn-Ga films: A small-scale design challenge. Materials and Design 233, 112259 (2023)

Zhou, X.; Ahmadian, A.; Hickel, T.; Gault, B.; Ophus, C.; Liebscher, C.; Dehm, G.; Raabe, D.: Atomic Scale Analysis Reveals the Interplay between Grain Boundary Structure and Composition. MRS 2023, Boston, MA, USA (2023)

Neugebauer, J.; Körmann, F.; Ferrari, A.: Navigating and exploiting the high-dimensional configuration spaces of high entropy alloys. The 11th International Conference on Multiscale Materials Modeling, Prague, Czech Republic (2023)

Neugebauer, J.; Poul, M.; Mathews, P.; Tehranchi, A.; Yang, J.; Todorova, M.; Hickel, T.: Construction and application of defect phase diagrams: Concepts and computational approaches. Thermec 2023, Vienna, Austria (2023)

Zhu, L.-F.; Neugebauer, J.; Grabowski, B.: Towards high throughput melting property calculations with ab initio accuracy aided by machine learning potential. CALPHAD L Conference, Cambridge, MA, USA (2023)

Neugebauer, J.; Poul, M.; Mathews, P.; Tehranchi, A.; Yang, J.; Todorova, M.; Hickel, T.: Defect phase diagrams: Concepts, computational approaches and applications. DPG-Frühjahrstagung (DPG Spring Meeting), Dresden, Germany (2023)

Neugebauer, J.; Yang, J.; Todorova, M.; Hickel, T.: Constructing Defect Phase Diagrams from Ab Initio Calculations and CALPHAD Concepts. TMS Annual Meeting and Exhibition, San Diego, CA, USA (2023)

Hickel, T.: Introduction to Quantum Mechanics for Solid State Physics. Lecture: WS 2023/2024, Ruhr-Universität Bochum, 2023-10 - 2024-03

Zaefferer, S.; Hickel, T.; Song, W.: Microstructures, Microscopy and Modelling. Lecture: SS 2023, RWTH Aachen University, 2023-04 - 2023-07

Tehranchi, A.; Zhang, S.; Zendegani, A.; Scheu, C.; Hickel, T.; Neugebauer, J.: Metastable defect phase diagrams as a tool to describe chemically driven defect formation: Application to planar defects. arXiv (2023)

Zhou, X.; Mathews, P.; Berkels, B.; Ahmad, S.; Alhassan, A. S. A.; Keuter, P.; Schneider, J. M.; Raabe, D.; Neugebauer, J.; Dehm, G. et al.; Hickel, T.; Scheu, C.; Zhang, S.: Constructing phase diagrams for defects by correlated atomic-scale characterization. arXiv (2023)