Freysoldt, C.; Pfanner, G.; Neugebauer, J.: What can EPR hyperfine parameters tell about the Si dangling bond? - A theoretical study. International conference on amorphous and nanoporous semiconductors (ICANS) 23, Utrecht, Netherlands (2009)
Friak, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Theory guided design of bcc Mg-Li alloys for ultra-light weight applications. ICSMA 15: International Conference on the Strength of Materials, Dresden, Germany (2009)
Ma, D.; Friák, M.; Raabe, D.; Neugebauer, J.: Multi-physical alloy approaches to solid solution strengthening of Al. 15th International Conference of Strength of Materials, Dresden, Germany (2009)
Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: The accuracy of first principles methods inpredicting thermodynamic properties of metals. XVIII International Material Research Conference, Cancun, Mexico (2009)
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Fundamental materials-design limits in ultra light-weight Mg-Li alloys determined from ab initio calculations. Seminar in the Department of Low Dimensional Structures and Metastable Phases at the Max Planck Institute for Metals Research, Stuttgart, Germany (2009)
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys. Seminar in the Department of Strukture at the Institute of Physics of Materials of the Academy of Sciences of the Czech Republic and Institute of Chemistry of the Faculty of Sciences of Masaryk University, Brno, Czech Republic (2009)
Friák, M.; Sander, B.; Ma, D.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Ab-initio based multi-scale approaches to the elasticity of polycrystals. Seminar at the Department of Physical Metallurgy and Materials Testing at Montan Universität Leoben, Leoben, Austria (2009)
Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers. Seminar at the Department of Materials Physics at Montan Universität Leoben, Leoben, Austria (2009)
Neugebauer, J.: Materials Design based on Ab Initio Thermodynamics: Status, Perspectives, and Trends. Colloquium Talk at Institut für Materialprüfung, Werkstoffkunde und Festigkeitslehre, Universität Stuttgart, Stuttgart, Germany (2009)
Neugebauer, J.; Grabowski, B.; Körmann, F.; Dick, A.; Hickel, T.: Ab Initio Thermodynamics: Status, applications and challenges. The second Sino-German Symposium on “Computational Thermodynamics and Kinetics and Their Applications to Solidification”, Kornelimünster/Aachen, Germany (2009)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Fully ab initio supercell corrections for charged defects. CECAM workshop "Which Electronic Structure Method for the Study of Defects?", Lausanne, Switzerland (2009)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. 2nd Sino-German Symposium on Computational Thermodynamics and Kinetics and their Application to Solidification, Aachen, Germany (2009)
Neugebauer, J.: Computing free energy contributions of point defects. ECAM conference: Which Electronic Structure Method for the Study of Defects?, Lausanne, Switzerland (2009)
Neugebauer, J.: Materials Design Based On Ab Initio Thermodynamics And Kinetics: Present Status And Perspectives. Colloquium at Universität Gießen, Gießen, Germany (2009)
Hickel, T.; Grabowski, B.; Ismer, L.; Neugebauer, J.: Role of Atomistic Simulations in the Prediction of Thermodynamic Properties of Materials. Workshop on Multi-Scale Computational Materials Design of Structural Materials, POSCO international center, Pohang, South Korea (2009)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
Because of their excellent corrosion resistance, high wear resistance and comparable low density, Fe–Al-based alloys are an interesting alternative for replacing stainless steels and possibly even Ni-base superalloys. Recent progress in increasing strength at high temperatures has evoked interest by industries to evaluate possibilities to employ…
The goal of this project is to optimize the orientation mapping technique using four-dimensional scanning transmission electron microscopy (4D STEM) in conjunction with precession electron diffraction (PED). The development of complementary metal oxide semiconductor (CMOS)-based cameras has revolutionized the capabilities in data acquisition due to…
The nano-structure of surfaces influences the interactions and reactions occurring on it, which has strong impacts for applications in diverse fields, such as wetting phenomena, electrochemistry or biotechnology. We study these nanoscale structures on functional interfaces by nano-spectroscopy. Furthermore we try to understand their influence on…
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…