Neugebauer, J.: Interplay between Plasticity Mechanisms, Entropy, and Chemical Composition: An Ab initio approach. Plasticity 2014, Freeport, Bahamas (2014)
Neugebauer, J.: Understanding hydrogen embrittlement by a combined atomistic-analytic multiscale approach. MDRC Conference , Lake Arrowhead, CA, USA (2014)
Neugebauer, J.: The role of hydrogen-hydrogen interaction in understanding H embrittlement: An ab initio guided multiscale approach. Hydrogen Conference, London, UK (2014)
Neugebauer, J.: Ab initio based design of structural materials: Status and challenges. Expertenpanel Computer Simulation of Material Structures and Properties, Schott AG , Mainz, Germany (2014)
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.