Körmann, F.; Hickel, T.; Neugebauer, J.: Phase stabilities of metals and steels - The impact of magnetic excitations from fi rst-principles. ADIS (Ab initio Description of Iron and Steel) Conference 2014 , Ringberg Castle, Rottach-Egern, Germany (2014)
Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin film and impact for structural transformations in Fe–C alloys. ADIS Workshop 2014, Ringberg, Germany (2014)
Körmann, F.; Grabowski, B.; Palumbo, M.; Fries, S. G.; Hickel, T.; Neugebauer, J.: Strong and weak magnetic coupling in chromium. ICAMS Advanced Discussions - Current Developments, Ruhr-Universität-Bochum, Bochum, Germany (2013)
Grabowski, B.; Glensk, A.; Korbmacher, D.; Huang, L.; Körmann, F.; Hickel, T.; Neugebauer, J.: First principles at finite temperatures: New approaches and massively parallel computations. CMSI International Symposium 2013: Extending the power of computational materials sciences with K-computer, Ito International Research Center, University of Tokyo, Japan (2013)
Hickel, T.; Nazarov, R.; Neugebauer, J.: Aspekte der Wasserstoffversprödung von Stählen: Verständnisgewinn durch quantenmechanische Simulationen. AKE Workshop, DECHEMA, Frankfurt a. M, Germany (2013)
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)
Dutta, B.; Hickel, T.; Neugebauer, J.: Ab-initio based prediction of chemical trends in magnetic shape memory alloys. Mini Workshop on Lattice Dynamics, Uppsala University, Uppsala, Sweden (2013)
Dutta, B.; Hickel, T.; Neugebauer, J.: Phase transitions in magnetic shape memory alloys: Ab-initio based prediction of chemical trends. Fourth International Conference on Ferromagnetic Shape Memory Alloys (ICFSMA'13), Boise, ID, USA (2013)
Raabe, D.; Li, Y.; Ponge, D.; Sandlöbes, S.; Choi, P.; Hickel, T.; Kirchheim, R.; Neugebauer, J.: Transformations in Steels. German-Chinese High-level Workshop on “Microstructure-driven Design and Performance of Advanced Metals”, Institute of Metals Research (IMR) of the Chinese Academy of Science (CAS), Shenyang, China (2013)
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization as in micropillar compression. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one.…
Water electrolysis has the potential to become the major technology for the production of the high amount of green hydrogen that is necessary for its widespread application in a decarbonized economy. The bottleneck of this electrochemical reaction is the anodic partial reaction, the oxygen evolution reaction (OER), which is sluggish and hence…