Leineweber, A.; Stein, F.: Comment on Hajra et al.: “High-temperature phase stability and phase transformations of Niobium-Chromium Laves phase: Experimental and first-principles calculation”. Materials and Design 247, 113373 (2024)
Flores, A.; Chatain, S.; Fossati, P.; Stein, F.; Joubert, J.-M.: Correction: Experimental Investigation and Thermodynamic Assessment of the Cr–Mo–Ti System. Journal of Phase Equilibra and Diffusion 45, p. 433 (2024)
Stein, F.; He, C.: About the Alkemade Theorem and the Limits of its Applicability for the Construction of Ternary Liquidus Surfaces. Journal of Phase Equilibra and Diffusion 45, pp. 489 - 501 (2024)
Gedsun, A.; Stein, F.; Palm, M.: Phase Equilibria in the Fe-Al-Nb(-B) System at 700 degrees C. Journal of Phase Equilibra and Diffusion 43 (4), pp. 409 - 418 (2022)
Distl, B.; Hauschildt, K.; Rashkova, B.; Pyczak, F.; Stein, F.: Phase Equilibria in the Ti-Rich Part of the Ti–Al–Nb System-Part I: Low-Temperature Phase Equilibria Between 700 and 900 °C. Journal of Phase Equilibra and Diffusion 43, pp. 355 - 381 (2022)
Distl, B.; Hauschildt, K.; Pyczak, F.; Stein, F.: Phase Equilibria in the Ti-Rich Part of the Ti–Al–Nb System-Part II: High-Temperature Phase Equilibria Between 1000 and 1300 °C. Journal of Phase Equilibra and Diffusion 43, pp. 554 - 575 (2022)
Gedsun, A.; Stein, F.; Palm, M.: Development of new Fe–Al–Nb(–B) alloys for structural applications at high temperatures. MRS Advances 6, pp. 176 - 182 (2021)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…