Publications

Kumar, N.; Lee, Y.; Lee, G.; Lee, S.; Lee, T.; Yoo, S.-H.; Stampfl, C.; Soon, A.; Jang, W.: Oxidic structures on copper-gold alloy nanofacets. Applied Surface Science 613, 155913 (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)

Barba, D.; Egan, A.; Utada, S.; Gong, Y.; Tang, Y. T.; Mazanova, V.; Mills, M. J.; Reed, R. C.: Deformation Mechanisms Rationalisation to Design for Creep Resistance in Polycrystalline Ni-Based Superalloys. Metallurgical and Materials Transactions A (2023)

Iankevich, G.; Sarkar, A.; Katnagallu, S.; Chellali, M. R.; Wang, D.; Velasco, L.; Singh, R.; Reisinger, T.; Kruk, R.; Hahn, H.: A New Class of Cluster-Matrix Nanocomposite Made of Fully Miscible Components. Advanced Materials, 2208774 (2023)

Srinivasan, P.; Shapeev, A.; Neugebauer, J.; Körmann, F.; Grabowski, B.: Anharmonicity in bcc refractory elements: A detailed ab initio analysis. Physical Review B 107 (1), 014301 (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)

Ghosh, S.; Sotskov, V.; Shapeev, A.; Neugebauer, J.; Körmann, F.: Short-range order and phase stability of CrCoNi explored with machine learning potentials. Physical Review Materials 6 (11), 113804 (2022)

Dong, X.; Wang, D.; Prithiv, T. S.; Tehranchi, A.; Ponge, D.; Sun, B.: Hydrogen-associated decohesion and localized plasticity in a high-Mn and high-Al two-phase lightweight steel. Acta Materialia 239, 118296 (2022)

Rao, Z.; Tung, P.-Y.; Xie, R.; Wei, Y.; Zhang, H.; Ferrari, A.; Klaver, T. P. C.; Körmann, F.; Prithiv, T. S.; Kwiatkowski da Silva, A. et al.; Chen, Y.; Li, Z.; Ponge, D.; Neugebauer, J.; Gutfleisch, O.; Bauer , S.; Raabe, D.: Machine learning–enabled high-entropy alloy discovery. Science 378 (6615), pp. 78 - 85 (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)

Patil, P.; Lee, S.; Dehm, G.; Brinckmann, S.: Influence of crystal orientation on twinning in austenitic stainless-steel during single micro-asperity tribology and nanoindentation. WEAR 504-505, 204403 (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)

Ouldhnini, Y.; Atila, A.; Ouaskit, S.; Hasnaoui, A.: Density-Diffusion Relationship in Soda-Lime Phosphosilicate. Journal of Non-Crystalline Solids 590, 121665 (2022)

Krauß, S.; Seynstahl, A.; Tremmel, S.; Meyer, B.; Bitzek, E.; Göken, M.; Yokosawa, T.; Zubiri, B. A.; Spiecker, E.; Merle, B.: Structural reorientation and compaction of porous MoS₂ coatings during wear testing. WEAR 500-501, 204339 (2022)

Kumar, K. B. S.; Todorova, M.; Neugebauer, J.: Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys. Condensed Matter: Materials Science (2022)

Poul, M.; Huber, L.; Bitzek, E.; Neugebauer, J.: Systematic Structure Datasets for Machine Learning Potentials: Application to Moment Tensor Potentials of Magnesium and its Defects. Condensed Matter: Materials Science (2022)