Poster (184)

1641.
Poster
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR hyperfine tensors of the dangling bond defect in crystalline and amorphous silicon. Psi-k Conference 2010, Berlin, Germany (2010)
1642.
Poster
Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Order/disorder transition of defects in ferrite: Ab initio based multi-scale approach. Psi-k 2010 Conference, Ab initio calculations of processes in materials and (bio)molecules, Berlin, Germany (2010)
1643.
Poster
Zhu, L.-F.; Friák, M.; Schlieter, A.; Kühn, U.; Eckert, J.; Emmerich, H.; Neugebauer, J.: First principles study of thermodynamic, structural and elastic properties of eutectic Ti–Fe alloys. Psik-2010 Conference, Berlin, Germany (2010)
1644.
Poster
Friák, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Identification of fundamental materials-design limits in ultra light-weight Mg–Li alloys via quantum-mechanical calculations. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
1645.
Poster
Friák, M.; Deges, J.; Stein, F.; Palm, M.; Frommeyer, G.; Neugebauer, J.: Ab inito study on elastic properties of Fe3Al-based alloys. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
1646.
Poster
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 multi-functional composite used as template for nano-to-macro-scale hierarchical modeling. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
1647.
Poster
Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Ab initio study of thermodynamic, structural and elastic properties of Al-/Si-substituted Laves phase Fe2Nb. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
1648.
Poster
von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
1649.
Poster
Todorova, M.; Valtiner, M.; Grundmeier, G.; Neugebauer, J.: Temperature Stabilised surface reconstructions at polar ZnO(0001). Gordon Research Seminar ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2010)
1650.
Poster
Liot, F.; Hooley, C.: Thermal expansion anomaly in iron-based ferromagnets: The relation to magnetism. APS March Meeting 2010, Portland, OR, USA (2010)
1651.
Poster
Dick, A.; Hickel, T.; Neugebauer, J.: Structure and Energetics of the Stacking Faults in Austenitic FeMn Alloys Studied by First Principles Calculations. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1652.
Poster
von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1653.
Poster
Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of dilute hydrogen in 3d transition metals, derived from first principles. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
1654.
Poster
Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio concepts for an efficient and accurate determination of thermodynamic properties up to the melting point. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
1655.
Poster
Hamidi Siboni, N.; Hickel, T.; Friák, M.; Raabe, D.; Neugebauer, J.: Effect of interstitials on vacancy formation and mobility in metals. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
1656.
Poster
Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing optimized atomic basis-sets with PW accuracy. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
1657.
Poster
Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Combined ab initio studies and kinetic Monte Carlo simulations of nano-precipitation in ferritic steels. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
1658.
Poster
von Pezold, J.; Dick, A.; Firák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. Multiscale Materials Modeling, Freiburg, Germany (2010)
1659.
Poster
Dick, A.; Neugebauer, J.: Surface magnetism at Mn3N2 (010) surfaces at the atomic scale: First-principles description of the spin-polarized scanning tunneling microscopy experiments. 448. WE-Heraeus-Seminar "Excitement in magnetism", Ringberg Castle, Tegernsee, Germany (2009)
1660.
Poster
Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: First principles study of the alpha-iron stability limits. 448. Wilhelm und Else Heraeus-Seminar "Excitement in magnetism: Spin-dependent scattering and coupling of excitations in ferromagnets", Tegernsee, Ringberg, Germany (2009)
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