Publications of Ralf Drautz

Menon, S.; Lysogorskiy, Y.; Knoll, A. L. M.; Leimeroth, N.; Poul, M.; Qamar, M.; Janssen, J.; Mrovec, M.; Rohrer, J.; Albe, K. et al.; Behler, J.; Drautz, R.; Neugebauer, J.: From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows. npj Computational Materials 10 (1), 261 (2024)

Luo, W.; Gasper, C.; Zhang, S.; Sun, P. L.; Ulumuddin, N.; Petrova, A.; Lysogorskiy, Y.; Drautz, R.; Xie, Z.; Korte-Kerzel, S.: Non-basal plasticity in the μ-phase at room temperature. Acta Materialia 277, 120202 (2024)

Liang, Y.; Mrovec, M.; Lysogorskiy, Y.; Vega-Paredes, M.; Scheu, C.; Drautz, R.: Atomic cluster expansion for Pt–Rh catalysts: From ab initio to the simulation of nanoclusters in few steps. Journal of Materials Research 38, pp. 5125 - 5135 (2023)

Xiao, B.; Lysogorskiy, Y.; Savan, A.; Bögershausen, H.; Pfetzing-Micklich, J.; Raabe, D.; Drautz, R.; Ludwig, A.: Correlations of Composition, Structure, and Hardness in the High-Entropy Alloy System Nb–Mo–Ta–W. High Entropy Alloys & Materials 1, pp. 110 - 119 (2022)

Katnagallu, S.; Stephenson, L.; Mouton, I.; Freysoldt, C.; Subramanyam, A. P. A.; Jenke, J.; Ladines, A. N. C.; Neumeier, S.; Hammerschmidt, T.; Drautz, R. et al.; Neugebauer, J.; Vurpillot, F.; Raabe, D.; Gault, B.: Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics 21 (12), 123020 (2019)

Zhang, X.; Hickel, T.; Rogal, J.; Fähler, S.; Drautz, R.; Neugebauer, J.: Structural transformations among austenite, ferrite and cementite in Fe–C alloys: A unified theory based on ab initio simulations. Acta Materialia 99, pp. 281 - 289 (2015)