Körmann, F.; Hickel, T.; Neugebauer, J.: Phase stabilities of metals and steels - The impact of magnetic excitations from fi rst-principles. ADIS (Ab initio Description of Iron and Steel) Conference 2014 , Ringberg Castle, Rottach-Egern, Germany (2014)
Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin film and impact for structural transformations in Fe–C alloys. ADIS Workshop 2014, Ringberg, Germany (2014)
Körmann, F.; Grabowski, B.; Palumbo, M.; Fries, S. G.; Hickel, T.; Neugebauer, J.: Strong and weak magnetic coupling in chromium. ICAMS Advanced Discussions - Current Developments, Ruhr-Universität-Bochum, Bochum, Germany (2013)
Grabowski, B.; Glensk, A.; Korbmacher, D.; Huang, L.; Körmann, F.; Hickel, T.; Neugebauer, J.: First principles at finite temperatures: New approaches and massively parallel computations. CMSI International Symposium 2013: Extending the power of computational materials sciences with K-computer, Ito International Research Center, University of Tokyo, Japan (2013)
Hickel, T.; Nazarov, R.; Neugebauer, J.: Aspekte der Wasserstoffversprödung von Stählen: Verständnisgewinn durch quantenmechanische Simulationen. AKE Workshop, DECHEMA, Frankfurt a. M, Germany (2013)
Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.: kappa-carbides as precipitates in austenitic steels: Ab initio study of structural, magnetic and Interface properties. EUROMAT 2013, Sevilla, Spain (2013)
Dutta, B.; Körmann, F.; Dey, P.; Hickel, T.; Neugebauer, J.: Ab-initio based prediction of chemical trends for phase transitions in magnetic shape memory alloys. Weekly Seminar, Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum, Bochum, Germany (2013)
Dutta, B.; Hickel, T.; Neugebauer, J.: Ab-initio based prediction of chemical trends in magnetic shape memory alloys. Mini Workshop on Lattice Dynamics, Uppsala University, Uppsala, Sweden (2013)
Dutta, B.; Hickel, T.; Neugebauer, J.: Phase transitions in magnetic shape memory alloys: Ab-initio based prediction of chemical trends. Fourth International Conference on Ferromagnetic Shape Memory Alloys (ICFSMA'13), Boise, ID, USA (2013)
Raabe, D.; Li, Y.; Ponge, D.; Sandlöbes, S.; Choi, P.; Hickel, T.; Kirchheim, R.; Neugebauer, J.: Transformations in Steels. German-Chinese High-level Workshop on “Microstructure-driven Design and Performance of Advanced Metals”, Institute of Metals Research (IMR) of the Chinese Academy of Science (CAS), Shenyang, China (2013)
Raabe, D.; Li, Y.; Ponge, D.; Sandlöbes, S.; Choi, P.-P.; Hickel, T.; Kirchheim, R.; Neugebauer, J.: Nanoscale Transformations in Steels. German-Chinese High-level Workshop on “Microstructure-driven Design and Performance of Advanced Metals”, Institute of Metals Research (IMR) of the Chinese Academy of Science (CAS), Shenyang, China (2013)
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
A novel design with independent tip and sample heating is developed to characterize materials at high temperatures. This design is realized by modifying a displacement controlled room temperature micro straining rig with addition of two miniature hot stages.
Many important phenomena occurring in polycrystalline materials under large plastic strain, like microstructure, deformation localization and in-grain texture evolution can be predicted by high-resolution modeling of crystals. Unfortunately, the simulation mesh gets distorted during the deformation because of the heterogeneity of the plastic…
In this project we developed a phase-field model capable of describing multi-component and multi-sublattice ordered phases, by directly incorporating the compound energy CALPHAD formalism based on chemical potentials. We investigated the complex compositional pathway for the formation of the η-phase in Al-Zn-Mg-Cu alloys during commercial…
The project HyWay aims to promote the design of advanced materials that maintain outstanding mechanical properties while mitigating the impact of hydrogen by developing flexible, efficient tools for multiscale material modelling and characterization. These efficient material assessment suites integrate data-driven approaches, advanced…
The Atom Probe Tomography group in the Microstructure Physics and Alloy Design department is developing integrated protocols for ultra-high vacuum cryogenic specimen transfer between platforms without exposure to atmospheric contamination.
Here, we aim to develop machine-learning enhanced atom probe tomography approaches to reveal chemical short/long-range order (S/LRO) in a series of metallic materials.