Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
Aydin, U.; Hickel, T.; Neugebauer, J.: High-Throughput Computation: The solution enthalpy of hydrogen in 3d metals derived from first principles. International workshop on Materials Discovery by Scale-Bridging High-Throughput, Bochum, Germany (2010)
Aydin, U.; Hickel, T.; Neugebauer, J.: The solution enthalpy of hydrogen derived from first principles along the series of 3d metals. Ab initio description of Iron and Steel: Mechanical Properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of dilute hydrogen in 3d transition metals, derived from first principles. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
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.