Publikationen von J. Neugebauer

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)

Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H.; Elstnerova, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Zigler, A.; Neugebauer, J.: Arthropod Cuticle: A Biological Multifunctional Composite Used As Template for Multidisciplinary Nano-To-Macro-Scale Hierarchical Modeling. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Computing Ab Initio Free Energy Contributions of Point Defects. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Towards a First-Principles Understanding of the Iron Phase Diagram. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

Schlieter, A.; Kuehn, U.; Friák, M.; Hubert, J.; Emmerich, H.; Neugebauer, J.; Eckert, J.: Experimental Investigations of the Ti-Fe-Eutectic System Needed for the Further Understanding of the Microstructural Evolution in an Eutectic Alloy at Different Cooling Rates. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

Udyansky, A.; von Pezold, J.; Neugebauer, J.: Multi-scale modeling of martensite formation in Fe-based solid solutions. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Embrittlement in metals: An atomistic study of the Hydrogen enhanced local plasticity (HELP) mechanism. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

Neugebauer, J.: Understanding hydrogen embrittlement of metals based on quantum mechanical simulation. Hydrogen Forum 2010, Fukuoka, Japan (2010)

Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: First principles calculations of the stacking fault energies for Mn and Fe. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Abu-Farsakh, H.; Neugebauer, J.: Exploring the unusual diffusion of N adatoms at GaAs(001) surface. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends for the solution enthalpy of hydrogen in 3d transition metals. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Dick, A.; Hickel, T.; Neugebauer, J.: Stacking fault properties in high-Mn steels: An ab initio study. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio determination of the magnetic free energy contribution of metallic systems. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Fully numerical orbitals as an analyzable Tight Binding Basis Set. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Spin-polarization-induced structural selectivity in substituted Laves phases. Workshop, Imst, Austria (2010)

Lymperakis, L.; Neugebauer, J.: Ab-initio based growth simulations of III-Nitride nanowires. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)