Publications of J. Neugebauer

Neugebauer, J.: Modeling steels exhibiting unconventional deformation mechanisms based on ab initio based multiscale simulations. ESISM Workshop, Kyoto, Japan (2013)

Neugebauer, J.: Ab initio based free energy sampling. Workshop Talk, ESISM Workshop Kyoto, Japan (2013)

Pei, Z.; Friák, M.; Zhu, L.-F.; Sandlöbes, S.; Svendsen, B.; Raabe, D.; Neugebauer, J.: Ab initio stacking fault energy calculations in Mg–Y alloys. DPG Frühjahrstagung, Regensburg, Germany (2013)

Pei, Z.; Zhu, L.-F.; Friák, M.; Sandlöbes, S.; Svendsen, B.; Raabe, D.; Neugebauer, J.: Ab initio study of stacking fault energies in Mg alloys. European Congress and Exhibition on Advanced Materials and Processes, Sevilla, Spain (2013)

Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Adaptive behavior in the Fe–C system. ICAMS Advanced Discussion, Bochum, Germany (2013)

Zhu, L.-F.; Friák, M.; Fabritius, H.-O.; Hemzalová, P.; Nikolov, S. D.; Ziegler, A. S.; Janus, A. M.; Raabe, D.; Neugebauer, J.: Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. DPG Frühjahrstagung, Regensburg, Germany (2013)

Neugebauer, J.: Ab initio based free energy sampling. Workshop, Lake Arrowhead, CA, USA (2012)

Neugebauer, J.: Materials Design based on predictive ab initio Thermodynamics. Colloquium Talk at Imperial College London, London, UK (2012)

Neugebauer, J.: Fully ab initio determination of free energies: Achievments and challenges. SGTE-Workshop, Herzogenrath, Germany (2012)

Hüter, C.; Twiste, F.; Spatschek, R.; Neugebauer, J.: Liquid Metal Embrittlement: Linking Small Scale Wetting Phenomena and Mesoscale Pattern Formation Processes. MRS 2012, Boston, MA, USA (2012)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio point defects up to melting: Deviations from Arrhenius-like behavior. MRS, Fall meeting, Boston, MA, USA (2012)

Spatschek, R.; Korbmacher, D.; von Pezold, J.; Hüter, C.; Brinckmann, S.; Neugebauer, J.: Scale Bridging Modeling of Hydrogen Embrittlement. 2012 MRS Fall Meeting & Exhibit, Boston, MA, USA (2012)

Neugebauer, J.: Fully ab initio determination of free energies: Basis for inverse approaches in materials design. MRS Fall Meeting, Boston, MA, USA (2012)

Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Pei, Z.; Zhu, L.-F.; Sha, G.; Ringer, S.; Neugebauer, J.; Raabe, D.: Combining ab initio calculations and high resolution experiments to improve the understanding of advanced Mg-Y and Mg-RE alloys. 7th Annual Conference of the ARC Centre of Excellence for Design in Light Metals, Melbourne, VIC, Australia (2012)

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)

Chakrabarty, A.; von Pezold, J.; Neugebauer, J.: Hydrogen in fcc antiferromagnetic FeMn: An ab-initio study. SFB761 annual retreat meeting 2012, Bad Neuenahr, Germany (2012)

Neugebauer, J.: Ab initio based multiscale modeling of structural materials: From a predictive thermodynamic description to tailored mechanical properties. MMM 2012 - Multiscale Materials Modeling Conference, Singapore City, Singapore (2012)

Neugebauer, J.: Introduction to Density Functional Theory from a Materials Science Perspective. Workshop, Lake Arrowhead, CA, USA (2012)

Neugebauer, J.: Materials design based on ab initio thermodynamics. Harnessing the Materials Genome 2012, Vail, CO, USA (2012)

Neugebauer, J.: Ab initio computation of free energies. MDWS1: Workshop on Quantum and Atomistic Modeling of Materials Defects, Los Angeles, CA, USA (2012)