von Pezold, J.; Udyansky, A.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-Induced Metal-Hydrogen Interactions across the First Transition Series – An Ab Initio Study of Hydrogen Embrittlement. TMS 2011 Meeting, San Diego, CA, USA (2011)
Race, C. P.; von Pezold, J.; Neugebauer, J.: Grain Boundary Kinetics in Molecular Dynamics: The Effect of the Driving Force on Mobility and Migration Mechanisms. TMS 2011, San Diego, CA, USA (2011)
von Pezold, J.: Understanding embrittlement in metals: A multiscale study of the Hydrogen enhanced local plasticity (HELP) mechanism. Bereichsseminar Materialforschung, MPI für Plasmaforschung, Garching, Germany (2011)
von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Atomistic study of the Hydrogen enhanced local plasticity (HELP) mechanism. ADIS 2010, Mechanical Properties, Ringberg, Germany (2010)
Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Atomistic study of martensite stability in dilute Fe-based solid solutions. PTM 2010 (Solid-Solid Phase Transformations in Inorganic Materials), Avignon, France (2010)
Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Impurity ordering in iron: An ab initio based multi-scale approach. GraCoS Workshop (Carbon and Nitrogen in Steels: Measurement, Phase Transformations and Mechanical Properties), Rouen, France (2010)
von Pezold, J.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the 1st transition series: An ab initio study of hydrogen embrittlement. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
von Pezold, J.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the 1st transition series: An ab initio study of hydrogen embrittlement. APS March Meeting 2010, Portland, OR, USA (2010)
Udyansky, A.; von Pezold, J.; Neugebauer, J.: Multi-scale modeling of martensite formation in Fe-based solid solutions. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Embrittlement in metals: An atomistic study of the Hydrogen enhanced local plasticity (HELP) mechanism. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Computational study of interstitial ordering in bcc iron. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
von Pezold, J.; Aydin, U.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the first transition series - An ab initio study of hydrogen embrittlement. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Understanding embrittlement in metals: A multiscale study of the Hydrogen-enhanced local plasticity mechanism. Materials Research Society (MRS) Fall meeting, Boston, MA, USA (2009)
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Influence of long-range C–C elastic interactions on the structural stability of dilute Fe–C solid solutions. EUROMAT 2009, Glasgow, UK (2009)
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.