Bleskov, I.; Hickel, T.; Neugebauer, J.: Impact of Local Magnetism on Planar Defects in Pure Iron. SFB-761 Annual Meeting 2013, Herdecke, Germany (2013)
Bleskov, I.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of Magnetism on Thermodynamic Properties of Iron. International Symposium “Frontiers In Electronic Structure Theory And Multi Scale Modeling” (FEST-VEK), Moscow, Russia (2013)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The influence of magnetic excitations on the phase stability of metals and steels. Seminar Talk at Institute for Pure and Applied Math, UCLA, University of California, Los Angeles, CA, USA (2012)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Consequences of H-Vacancy Interactions: An Ab Initio Insight. International Hydrogen Conference, Jackson Lake Lodge, Moran, WY, USA (2012)
Palumbo, M.; Fries, S. G.; Hammerschmidt, T.; Körmann, F.; Hickel, T.: SAPIENS thermophysical database for pure elements: DFT and experiments. 18th Symposium on Thermophysical Properties, Boulder, CO, USA (2012)
Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Advancing ab initio methods to finite temperatures: The opening of new routes in materials design. Seminar Talk at Institute on Quantum Materials Science, Yekaterinburg, Russia (2012)
Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Thermodynamic properties of cementite including magnetic, vibronic, and electronic excitations from ab initio. TMS Annual meeting 2012, Orlando, FL, USA (2012)
Hickel, T.: Advancing ab initio methods to finite temperatures: The opening of new routes in materials design. Physikalisches Kolloquium der Ruhr-Universität Bochum, Bochum, Germany (2012)
Hickel, T.; Sandschneider, N.; Friák, M.; Neugebauer, J.; Ouyang, Y.: Ab initio determination of point defects and derived diffusion properties in metals. TMS Annual meeting 2012, Orlando, FL, USA (2012)
Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: The influence of ternary additions in the Fe2Nb C14 Laves phase. ICAMS Advanced Discussions, Bochum, Germany (2012)
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…
This project will aim at developing MEMS based nanoforce sensors with capacitive sensing capabilities. The nanoforce sensors will be further incorporated with in situ SEM and TEM small scale testing systems, for allowing simultaneous visualization of the deformation process during mechanical tests
Hydrogen induced embrittlement of metals is one of the long standing unresolved problems in Materials Science. A hierarchical multiscale approach is used to investigate the underlying atomistic mechanisms.
Hydrogen embrittlement affects high-strength ferrite/martensite dual-phase (DP) steels. The associated micromechanisms which lead to failure have not been fully clarified yet. Here we present a quantitative micromechanical analysis of the microstructural damage phenomena in a model DP steel in the presence of hydrogen.
Thermo-chemo-mechanical interactions due to thermally activated and/or mechanically induced processes govern the constitutive behaviour of metallic alloys during production and in service. Understanding these mechanisms and their influence on the material behaviour is of very high relevance for designing new alloys and corresponding…
The project aims to study corrosion, a detrimental process with an enormous impact on global economy, by combining denstiy-functional theory calculations with thermodynamic concepts.
Understanding hydrogen-assisted embrittlement of advanced structural materials is essential for enabling future hydrogen-based energy industries. A crucially important phenomenon in this context is the delayed fracture in high-strength structural materials. Factors affecting the hydrogen embrittlement are the hydrogen content,...
Understanding hydrogen-assisted embrittlement of advanced high-strength steels is decisive for their application in automotive industry. Ab initio simulations have been employed in studying the hydrogen trapping of Cr/Mn containing iron carbides and the implication for hydrogen embrittlement.
Nickel-based alloys are a particularly interesting class of materials due to their specific properties such as high-temperature strength, low-temperature ductility and toughness, oxidation resistance, hot-corrosion resistance, and weldability, becoming potential candidates for high-performance components that require corrosion resistance and good…