Publications of J. Neugebauer

Nazarov, R.; Hickel, T.; Neugebauer, J.: First-principles and thermodynamic description of hydrogen interaction with vacancies in fcc iron. DPG 2010 Meeting, Regensburg, Germany (2010)

Pfanner, G.; Freysoldt, C.; Neugebauer, J.: A theoretical study of hyperfine parameters in amorphous silicon. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio studies of nano-precipitation and growth in ferritic steels. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Todorova, M.; Valtiner, M.; Grundmeier, G.; Neugebauer, J.: Temperature stabilised surface reconstructions at polar ZnO(0001). DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Multi-scale study of martensite stability in Fe-based solid solutions. DPG spring meeting, Regensburg, Germany (2010)

von Pezold, J.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the 1st transition series: An ab initio study of hydrogen embrittlement. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

von Pezold, J.; Friák, M.; Neugebauer, J.: Atomic-scale quantification of solution hardening mechanisms. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Zhu, L.-F.; Dick, A.; Friák, M.; Hickel, T.; Neugebauer, J.: First principles study of thermodynamic, structural and elastic properties of eutectic Ti-Fe alloys. DPG Spring Meeting 2010, Regensburg, Germany (2010)

Dick, A.; Hickel, T.; Neugebauer, J.: Structure and Energetics of the Stacking Faults in Austenitic FeMn Alloys Studied by First Principles Calculations. APS March Meeting 2010, Portland, OR, USA (2010)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio determination of the magnetic free energy contribution of metallic systems. APS March Meeting 2010, Portland, OR, USA (2010)

Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Spin-polarization-induced structural selectivity in substituted Laves phases. APS March Meeting 2010, Portland, OR, USA (2010)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab-initio and thermodynamic description of interaction of hydrogen with vacancies in fcc iron. APS 2010 Spring Meeting, Portland, OR, USA (2010)

Todorova, M.; Valtiner, M.; Grundmeier, G.; Neugebauer, J.: Temperature stabilised surface reconstructions at polar ZnO(0001). APS March Meeting 2010, Portland, OR, USA (2010)

Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Multi-scale study of martensite stability in Fe-based solid solutions. APS march meeting, Portland, OR, USA (2010)

von Pezold, J.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the 1st transition series: An ab initio study of hydrogen embrittlement. APS March Meeting 2010, Portland, OR, USA (2010)

Zhu, L.-F.; Dick, A.; Friák, M.; Hickel, T.; Neugebauer, J.: First principles study of thermodynamic, structural and elastic properties of eutectic Ti–Fe alloys. March meeting of the American Physical Society (APS), Portland, OR, USA (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Computing Ab Initio Free Energy Contributions of Point Defects. APS March Meeting 2010, Portland, OR, USA (2010)

Freysoldt, C.; Neugebauer, J.: Fully ab initio finite size corrections for charged defects in the supercell approach. APS march meeting, Portland, OR, USA (2010)

Friák, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Fundamental Materials-Design Limits in Ultra Light-Weight Mg-Li Alloys Determined from Quantum-Mechanical Calculations. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

Friák, M.; Hubert, J.; Emmerich, H.; Schlieter, A.; Kuehn, U.; Eckert, J.; Neugebauer, J.: Ab Initio Determination of Phase-Field Parameters Needed for Scale-Bridging Studies of Nucleation and Microstructure Formation in the Ti-Fe Eutectic System. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)