Elstnerová, P.; Friák, M.; Šob, M.; Neugebauer, J.: Prediction of the Ground State of NiN and Ni2N within the Quantum Mechanical Study. Multiscale Design of Advanced Materials, Brno, Czech Republic (2011)
Elstnerová, P.; Friák, M.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions - A Quantum-Mechanical Study. 12th International Symposium on Physics of Materials, Prague, Czech Republic (2011)
Elstnerová, P.; Friák, M.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions - A Quantum-Mechanical Study. Multi-Scale Mechanics of Biological and Bio-Inspired Hierarchical Materials and Surfaces, Glasgow, UK (2011)
Elstnerová, P.; Friák, M.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions - A quantum-mechanical study. EuroBioMat - European Symposium on Biomaterials and Related Areas, Jena, Germany (2011)
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.