Talk (1155)

1541.
Talk
von Pezold, J.; Neugebauer, J.: Multiscale simulations of Hydrogen embrittlement. Materials Science and Engineering (MSE08), Nürnberg, Germany (2008)
1542.
Talk
von Pezold, J.; Neugebauer, J.: Hydrogen-enhanced local plasticity - An atomistic study. Materials Science and Engineering 2008, Nuernberg, Germany (2008)
1543.
Talk
Abu-Farsakh, H.; Neugebauer, J.: Solubility and surface kinetics of N in diluted nitrides. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1544.
Talk
Aydin, U.; Ismer, L.; Hickel, T.: Ab initio study of trends in the thermodynamic and kinetic properties of H in 3d transition metals. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1545.
Talk
Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Mechanical Properties of FeMn-Alloys. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1546.
Talk
Freysoldt, C.: SPHInX things. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1547.
Talk
Ismer, L.; Ireta, J.; Neugebauer, J.: First principles study of vibrational and thermodynamic properties of the secondary structure of proteins. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1548.
Talk
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1549.
Talk
Lange, B.; Freysoldt, C.; Neugebauer, J.: Band dispersion effects in supercell calculations for defects. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1550.
Talk
Lymperakis, L.; Neugebauer, J.: Grain Boundaries: Statics and Mobility. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1551.
Talk
Marquardt, O.; Hickel, T.; Neugebauer, J.: Effect of strain and polarization on the electronic properties of 2-, 1- and 0-dimensional semiconductor nanostructures. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1552.
Talk
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: Numerical studies of the radial Schroedinger equation. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1553.
Talk
Rayson, M. J.: Progress in techniques for large-scale ab initio calculations. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1554.
Talk
Todorova, M.; Neugebauer, J.: Towards an ab initio description of corrosion. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1555.
Talk
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Atomistic modeling of the strain-induced interaction between carbon atoms in Fe-C solid solution. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1556.
Talk
Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformations of Ni2MnGa shape memory alloy from first principles: The (pre-)martensitic transition by phonons and magnons, Soft mode phase transformation by phonon couplings. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1557.
Talk
Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Theory-guided Design of Ti-binaries for Biomedical Applications. 11th International Symposium on Physics of Materials (ISPMA-11), Prague, Czech Republic (2008)
1558.
Talk
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Atomistic modeling of the strain-induced interaction between carbon atoms in Fe-C solid solution. XVII International Materials Research Congress 2008, Cancun, Mexico (2008)
1559.
Talk
Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: An efficient thermodynamic integration scheme. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
1560.
Talk
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. XXI Congress of the International Union of Crystallography, Osaka, Japan (2008)
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