Vortrag (1226)

1041.
Vortrag
Dutta, B.; Körmann, F.; Hickel, T.; Neugebauer, J.: The itinerant coherent potential approximation for phonons: Role of fluctuations for systems with magnetic disorder. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
1042.
Vortrag
Gupta, A.; Dutta, B.; Hickel, T.; Neugebauer, J.: Thermodynamic phase stability in the Al–Sc system using first principles methods. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)
1043.
Vortrag
Hickel, T.; Nazarov, R.; McEniry, E.; Dey, P.; Neugebauer, J.: Ab initio insights into the interaction of hydrogen with precipitates in steels. Workshop on Hydrogen Embrittlement and Sour Gas Corrosion 2015, Düsseldorf, Germany (2015)
1044.
Vortrag
Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Duff, A.; Finnis, M. W.: Ab initio description of the Ti bcc to omega transition at finite temperatures. PTM 2015, International Conference on Solid-Solid Phase Transformations in Inorganic Materials, Whistler, BC, Canada (2015)
1045.
Vortrag
Körmann, F.; Grabowski, B.; Dutta, B.; Hickel, T.; Neugebauer, J.: Temperature dependent magnon-phonon coupling. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
1046.
Vortrag
Neugebauer, J.: Ab Initio Thermodynamics: A Novel Route to Design Structural Materials with Superior Mechanical Properties. TMS-MEMA Conference, Doha, Katar (2015)
1047.
Vortrag
Neugebauer, J.: Big Data im computergestützten Materialdesign. CPTS Big Data round table, Tübingen, Germany (2015)
1048.
Vortrag
Neugebauer, J.: Design and discovery of structural materials on the computer: Prospects and challenges. Colloquium at Universität Magdeburg, Magdeburg, Germany (2015)
1049.
Vortrag
Neugebauer, J.: Ab initio description of finite temperature phase stabilities and transformations. PTM Conference, Whistler, BC, Canada (2015)
1050.
Vortrag
Neugebauer, J.: Ab initio computation of free energies up to the melting point: Status and challenges. Symposium in Uppsala, Uppsala, Sweden (2015)
1051.
Vortrag
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of ions in water: An ab initio molecular dynamics study. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)
1052.
Vortrag
Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: First-principles study of thermodynamic properties of the Q phase in Al–Cu–Mg–Si. Calphad XLIV, Loano, Italy (2015)
1053.
Vortrag
Zendegani, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: First-principles study of thermodynamic properties of the Q-phase in Al–Cu–Mg–Si. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
1054.
Vortrag
Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin films on Cu(001). 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
1055.
Vortrag
Hickel, T.: Understanding complex materials at finite temperatures by ab inito methods. Colloquium at Institut für Materialwissenschaft, Universtität Stuttgart, Stuttgart, Germany (2014)
1056.
Vortrag
Todorova, M.: Stability and defect chemistry of zinc oxide in contact with an electrochemical environment: An ab initio approach. Helmholtz-Zentrum Berlin , Berlin, Germany (2014)
1057.
Vortrag
Fabritius, H.-O.; Janus, A. M.; Wu, X.; Nikolov, S.; Eisenlohr, P.; Friák, M.; Neugebauer, J.; Raabe, D.: Structure-property Relations in the Arthropod Exoskeleton, a Multifunctional Biological Composite. Materials Science & Technology (MS&T) 2014, Pittsburgh, PA, USA (2014)
1058.
Vortrag
Haghighat, S. M. H.; Schäublin, R.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Roters, F.; Raabe, D.: Atomistic study of dislocation mobility and obstacle hardening in bcc-Fe: versatility of embedded atom method potentials. MMM2014, 7th International Conference on Multiscale Materials Modeling , Berkeley, CA, USA (2014)
1059.
Vortrag
Raabe, D.; Ponge, D.; Gutiérrez-Urrutia, I.; Springer, H.; Kuzmina, M.; Hickel, T.; Welsch, E.; Haghighat, S. M. H.; Sandlöbes, S.; Choi, P.-P. et al.; Neugebauer, J.: Designing bulk nanostructured high manganese steels by intregrating advanced characteriation and ab initio modeling. 2nd International Conference on High Manganese Steels - HMnS 2014, Aachen, Germany (2014)
1060.
Vortrag
Hickel, T.; Glensk, A.; Nazarov, R.; Sözen, H. I.; Grabowski, B.; Neugebauer, J.: Ab initio determination of point defects and derived diffusion properties in metals. International conference on diffusion in materials, DIMAT2014, Münster, Germany (2014)
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