Dey, P.; Nazarov, R.; Yao, M.; Friák, M.; Hickel, T.; Neugebauer, J.: Adaptive C content in coherently strained kappa-carbides - An ab initio explanation of atom probe tomography data. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)
Hickel, T.; Nazarov, R.; McEniry, E.; Dey, P.; Neugebauer, J.: Ab initio insights into the interaction of hydrogen with precipitates in steels. Workshop on Hydrogen Embrittlement and Sour Gas Corrosion 2015, Düsseldorf, Germany (2015)
Hickel, T.; Nazarov, R.; McEniry, E.; Dey, P.; Neugebauer, J.: Impact of light elements on interface properties in steels. CECAM workshop “Modeling Metal Failure Across Multiple Scales”, Lausanne, Switzerland (2014)
Dey, P.; Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab-initio study of hydrogen trapping by kappa-carbides in an austenitic Fe matrix. DPG Frühjahrstagung, Dresden, Germany (2014)
Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.: kappa-carbides as precipitates in austenitic steels: Ab initio study of structural, magnetic and Interface properties. EUROMAT 2013, Sevilla, Spain (2013)
Dutta, B.; Körmann, F.; Dey, P.; Hickel, T.; Neugebauer, J.: Ab-initio based prediction of chemical trends for phase transitions in magnetic shape memory alloys. Weekly Seminar, Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum, Bochum, Germany (2013)
Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.: Ab-initio based study of kappa-carbides in Fe-based alloys. Asia Sweden meeting on understanding functional materials from lattice dynamics (ASMFLD) conference, Indian Institute of technology Guwahati, Guwahati, India (2014)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
Developing and providing accurate simulation techniques to explore and predict structural properties and chemical reactions at electrified surfaces and interfaces is critical to surmount materials-related challenges in the context of sustainability, energy conversion and storage. The groups of C. Freysoldt, M. Todorova and S. Wippermann develop…