Ikeda, Y.; Ishibashi, S.; Neugebauer, J.; Körmann, F.: Tuning stacking-fault energies and local lattice distortions in high-entropy alloys. Theory of Complex Disorder in Materials (TCDM2019) , Linköping, Sweden (2019)
Neugebauer, J.; Huber, L.; Körmann, F.; Grabowski, B.; Hickel, T.: Ab initio input for multiphysics models: Accuracy, performance and challenges. ISAM4: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics, Erlangen, Germany (2019)
Ikeda, Y.; Körmann, F.; Neugebauer, J.: Impact of Interstitial Alloying of High Entropy Alloys from First Principles. TMS 2019, San Antonio, TX, USA (2019)
Hickel, T.; Zendegani, A.; Körmann, F.; Neugebauer, J.: Energetics of non-stoichiometric stacking faults in Fe–Nb alloys: An ab initio study. TMS 2019 Annual Meeting, San Antonio, TX, USA (2019)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
In this project, we employ atomistic computer simulations to study grain boundaries. Primarily, molecular dynamics simulations are used to explore their energetics and mobility in Cu- and Al-based systems in close collaboration with experimental works in the GB-CORRELATE project.
This project is a joint project of the De Magnete group and the Atom Probe Tomography group, and was initiated by MPIE’s participation in the CRC TR 270 HOMMAGE. We also benefit from additional collaborations with the “Machine-learning based data extraction from APT” project and the Defect Chemistry and Spectroscopy group.
In this project, we aim to design novel NiCoCr-based medium entropy alloys (MEAs) and further enhance their mechanical properties by tuning the multiscale heterogeneous composite structures. This is being achieved by alloying of varying elements in the NiCoCr matrix and appropriate thermal-mechanical processing.