Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations. Physical Review B 79, 184406, pp. 184406-1 - 184406-5 (2009)
Körmann, F.; Kienert, J.; Schwieger, S.; Nolting, W.: Cu cap layer on Ni8/Cu(001): reorientation and Tc-shift. The European Physical Journal B 65, pp. 499 - 504 (2008)
Körmann, F.; Dick, A.; Grabowski, B.; Hallstedt, B.; Hickel, T.; Neugebauer, J.: Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Physical Review B 78, 033102 (2008)
Neugebauer, J.; Glensk, A.; Leyson, G. P. M.; Körmann, F.; Grabowski, B.; Hickel, T.: Ab initio description of finite temperature phase stabilities and transformations. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 751 - 752 (Eds. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. PTM 2015, Whistler, British Columbia (2015)
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)
Gong, Y.; Ikeda, Y.; Körmann, F.; Neugebauer, J.: Ab initio computation of phase stability and interstitial alloying in bcc compositionally complex alloys. International Conference on High-Entropy Materials (ICHEM 2023), Knoxville, TN, USA (2023)
Neugebauer, J.; Körmann, F.; Hickel, T.: Ab Initio Descriptors to Guide Materials Design in High-dimensional Chemical and Structural Configuration Spaces. TMS Annual Meeting and Exhibition, San Diego, CA, USA (2022)
Neugebauer, J.; Ikeda, Y.; Körmann, F.: Materials design based on efficient sampling of high dimensional chemical and thermodynamic configuration spaces. Workflows for Atomistic Simulations, Ruhr-Universität Bochum, Online Meeting, Bochum, Germany (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
ECCI is an imaging technique in scanning electron microscopy based on electron channelling applying a backscatter electron detector. It is used for direct observation of lattice defects, for example dislocations or stacking faults, close to the surface of bulk samples.
We will investigate the electrothermomechanical response of individual metallic nanowires as a function of microstructural interfaces from the growth processes. This will be accomplished using in situ SEM 4-point probe-based electrical resistivity measurements and 2-point probe-based impedance measurements, as a function of mechanical strain and…
Developing and providing accurate simulation techniques to explore and predict structural properties and chemical reactions at electrified surfaces and interfaces is critical to surmount materials-related challenges in the context of sustainability, energy conversion and storage. The groups of C. Freysoldt, M. Todorova and S. Wippermann develop…
This project will aim at developing MEMS based nanoforce sensors with capacitive sensing capabilities. The nanoforce sensors will be further incorporated with in situ SEM and TEM small scale testing systems, for allowing simultaneous visualization of the deformation process during mechanical tests
The utilization of Kelvin Probe (KP) techniques for spatially resolved high sensitivity measurement of hydrogen has been a major break-through for our work on hydrogen in materials. A relatively straight forward approach was hydrogen mapping for supporting research on hydrogen embrittlement that was successfully applied on different materials, and…