Dick, A.; Hickel, T.; Neugebauer, J.: Ab Initio Interfacial Austenite/Martensite Energies for Accurate Deformation Mechanism Maps in High-Mn Steels. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: The thermodynamics of Fe-based compounds derived from first principles. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab initio study on the cross-interaction between magnetism and point defects in fcc Fe. Realistic Theories of Correlated Electrons in Condensed Matter, Volga-River, Moscow, Russia (2010)
Neugebauer, J.: Ab initio Multiscale Simulations of Thermodynamic Properties up to the Melting Point. Gordon Research Conference High Temperature Materials, Processes & Diagnostics, Waterville, USA (2010)
Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio prediction of thermodynamic data for selected phases of the Al-Mg-Si-Cu system. CECAM Summer School on Computational Materials Sciences, San Sebastian, Spain (2010)
Hickel, T.; Dick, A.; Körmann, F.; Neugebauer, J.: Ab initio Bestimmung thermodynamischer Eigenschaften des Legierungssystems Fe-Mn-C. Sitzung FA Computersimulation der DGM, Aachen, Germany (2010)
Marquardt, O.; Gambaryan, K. M.; Aroutiounian, V. M.; Hickel, T.; Neugebauer, J.: Growth process, characterization and optoelectronic properties of InAsSbP dot-pit cooperative nanostructures. VCIAN 2010, Santorini, Greece (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)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Charged defects in the supercell approach. Seminar at Duisburg University, Duisburg, Germany (2010)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Charged defects in the supercell approach. Seminar at Fritz-Haber-Institut der MPG, Berlin, Germany (2010)
Neugebauer, J.: Utilizing solid-solid phase transitions in the design of novel steels: An ab initio approach. PTM2010 Solid-Solid Phase Transformations in Inorganic Materials, Avignon, France (2010)
Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio concepts for an efficient and accurate determination of thermodynamic properties up to the melting point. Calphad XXXIX, Jeju Island, South Korea (2010)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
Hydrogen embrittlement is one of the most substantial issues as we strive for a greener future by transitioning to a hydrogen-based economy. The mechanisms behind material degradation caused by hydrogen embrittlement are poorly understood owing to the elusive nature of hydrogen. Therefore, in the project "In situ Hydrogen Platform for…
Efficient harvesting of sunlight and (photo-)electrochemical conversion into solar fuels is an emerging energy technology with enormous promise. Such emerging technologies depend critically on materials systems, in which the integration of dissimilar components and the internal interfaces that arise between them determine the functionality.
In collaboration with Dr. Edgar Rauch, SIMAP laboratory, Grenoble, and Dr. Wolfgang Ludwig, MATEIS, INSA Lyon, we are developing a correlative scanning precession electron diffraction and atom probe tomography method to access the three-dimensional (3D) crystallographic character and compositional information of nanomaterials with unprecedented…
The unpredictable failure mechanism of White Etching Crack (WEC) formation in bearing steels urgently demands in-depth understanding of the underlying mechanisms in the microstructure. The first breakthrough was achieved by relating the formation of White Etching Areas (WEAs) to successive WEC movement.