Publications

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)

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 preprint arXiv:2303.07504 (2023)

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)

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. Condensed Matter: Materials Science (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. Condensed Matter: Materials Science (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)

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)

Ikeda, Y.; Gubaev, K.; Neugebauer, J.; Grabowski, B.; Körmann, F.: Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys. npj Computational Materials 7 (1), 34 (2021)

Andrianov, A, A. V.; Mendive-Tapia, E.; Beskrovnyi I, A.; Staunton, J. B.: Collapse of a region of the magnetic phase diagram of elemental terbium under a strain-induced Lifshitz transition. Physical Review B 104 (17), 174435 (2021)

Yang, D.-C.; Jo, Y.-H.; Ikeda, Y.; Körmann, F.; Sohn, S. S.: Effects of cryogenic temperature on tensile and impact properties in a medium-entropy VCoNi alloy. Journal of Materials Science & Technology 90, pp. 159 - 167 (2021)

Boldrin, D.; Mendive-Tapia, E.; Zemen, J.; Staunton, J. B.; Gomes, A. M.; Ghivelder, L.; Halpin, J.; Gibbs, A. S.; Aznar, A.; Tamarit, J.-L. et al.; Lloveras, P.; Moya, X.; Cohen, L. F.: Barocaloric properties of quaternary Mn₃(Zn,In)N for room-temperature refrigeration applications. Physical Review B 104 (13), 134101 (2021)

Oh, H. S.; Odbadrakh, K.; Ikeda, Y.; Mu, S.; Körmann, F.; Sun, C.-J.; Ahn, H. S.; Yoon, K. N.; Ma, D.; Tasan, C. C. et al.; Egami, T.; Park, E. S.: Element-resolved local lattice distortion in complex concentrated alloys: An observable signature of electronic effects. Acta Materialia 216, 117135 (2021)

Jang, T. J.; Choi, W. S.; Kim, D. W.; Choi, G.; Jun, H.; Ferrari, A.; Körmann, F.; Choi, P.-P.; Sohn, S. S.: Shear band-driven precipitate dispersion for ultrastrong ductile medium-entropy alloys. Nature Communications 12 (1), 4703 (2021)