Janßen, J.; Hickel, T.; Neugebauer, J.: Automated ab-initio Determination of Materials Properties at finite Temperatures with pyiron. CNLS Seminar, Los Alamos, NM, USA (2019)
Zhu, L.-F.; Janßen, J.; Grabowski, B.; Neugebauer, J.: Melting parameters from ab initio using the fast statistical sampling TOR-TILD approach: Applications to Al and Ni. CALPHAD XLVIII CONFERENCE, Singapore, Singapore (2019)
Neugebauer, J.; Janßen, J.; Körmann, F.; Hickel, T.; Grabowski, B.: Exploration of large ab initio data spaces to design materials with superior mechanical properties. Physics and Theoretical Division Colloquium, Los Alamos, NM, 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 investigate a high angle grain boundary in elemental copper on the atomic scale which shows an alternating pattern of two different grain boundary phases. This work provides unprecedented views into the intrinsic mechanisms of GB phase transitions in simple elemental metals and opens entirely novel possibilities to kinetically engineer interfacial properties.