Publications of J. Neugebauer

Neugebauer, J.: Vacancy concentrations from 0K to the melting temperature in unary fcc metals: Discovery of large non-Arrhenius effects. CALPHAD 2012 Meeting, Berkeley, CA, USA (2012)

Raabe, D.; Ponge, D.; Choi, P.; Millán, J.; Sandlöbes, S.; Yuan, L.; Tasan, C. C.; Plancher, E.; Zaefferer, S.; Hickel, T. et al.; Friak, M.; Dick, A.; Inden, G.; Neugebauer, J.: Designing nanostructured metallic bulk alloys via first principles simulations and atomic scale characterization: The basis of modern manufacturing. NIMS Conference 2012, Tsukuba, Japan (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.; 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)

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 Forschungszentrum Jülich, Jülich, Germany (2012)

Neugebauer, J.: Ab initio guided materials design: Concepts, prospects and challenges. Seminar Talk at Universität Linz, Linz, Austria (2012)

Neugebauer, J.: Ab initio thermodynamics: Status and perspectives. Workshop at State Key Laboratory of Powder Metallurgy, Central South University, Changsha, China (2012)

Neugebauer, J.: Electric fields, surfaces and adatom kinetics from an ab initio perspective. IFES 2012, Birmingham, AL, USA (2012)

Ponge, D.; Millán, J.; Yuan, L.; Sandlöbes, S.; Kostka, A.; Choi, P.; Zaefferer, S.; Hickel, T.; Inden, G.; Assadi, H. et al.; Kirchheim, H.; Neugebauer, J.; Raabe, D.: Microstructure hierarchy and nanoscale transformations in steels. Workshop on ‘Mathematical challenges of materials science and condensed matter physics: From quantum mechanics through statistical mechanics to nonlinear pde’, Hausdorff Research Institute for Mathematics, Bonn, Germany (2012)

Raabe, D.; Ponge, D.; Choi, P.; Millán, J.; Millán, J.; Sandlöbes, S.; Hickel, T.; Neugebauer, J.: Nanoscale austenite reversion in martensitic and maraging-TRIP steels. 3rd International Symposium on Steel Science, Kyoto, Japan (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)

Lips, K.; Fehr, M.; Schnegg, A.; Rech, B.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Bittl, R. et al.; Teutloff, C.: The Staebler-Wronski Effect in a-Si:H Revisited with Advanced Electron Paramagnetic Resonance (EPR). MRS Spring Meeting, San Francisco, CA, USA (2012)

Pfanner, G.; Freysoldt, C.; Neugebauer, J.: The Dangling-bond Defect in Crystalline and Amorphous Silicon: Insights from Ab initio Calculations of EPR-parameters. MRS Spring Meeting, San Francisco, CA, USA (2012)

Nazarov, R.; Ismer, L.; Hickel, T.; Neugebauer, J.: Hydrogen embrittlement of steels: An atomistic insight. PROST 2012 Conference, Moscow, Russia (2012)

Neugebauer, J.: Ab initio guided materials design: Concepts, prospects and challenges. Seminar talk at Universität Duisburg-Essen, Duisburg, Germany (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Palumbo, M.; Fries, S. G.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: SAPIENS, a DFT and experimental based thermophysical database for pure elements. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Pfanner, G.; Freysoldt, C.; Neugebauer, J.: The dangling-bond defect in amorphous silicon: Insights from ab initio calculations of EPR parameters. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Bauer, K. D.; Todorova, M.; Hingerl, K.; Neugebauer, J.: Ab-initio Study on Liquid Metal Embrittlement in the Fe/Zn System. DPG Frühjahrstagung 2012, Bochum, Germany (2012)

Cheng, S.-T.; Todorova, M.; Neugebauer, J.: Interactions of 2^nd row high electron affinity elements with Mg(0001). DPG Frühjahrstagung 2012, Berlin, Germany (2012)