Regensburg 2010 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 4: Topical Session Designing Innovative Structural Materials and Steels II

Montag, 22. März 2010, 11:30–12:45, H4

11:30 MM 4.1 From atoms to materials: one billion atoms with DFT accuracy — •Tobias Kerscher, Stefan Müller, Gus Hart, and Quinn Snell
11:45 MM 4.2 From DFT via TB to BOP: Atomistic simulations with ab-initio derived bond order potentials — •Martin Reese, Matous Mrovec, Bernd Meyer, and Christian Elsässer
12:00 MM 4.3 Ab initio determination of the magnetic free energy contribution of metallic systems — •Fritz Körmann, Alexey Dick, Blazej Grabowski, Tilmann Hickel, and Jörg Neugebauer
12:15 MM 4.4 Sensitivity of the stacking fault energy in FeMn alloys on the local environment: A first-principles study — •Alexey Dick, Tilmann Hickel, and Jörg Neugebauer
12:30 MM 4.5 DFT-based calculation of temperature-dependent stacking fault energy in the Fe-Mn alloy — •Andrei Reyes-Huamantinco, Andrei Ruban, Peter Puschnig, and Claudia Ambrosch-Draxl
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DPG-Physik > DPG-Verhandlungen > 2010 > Regensburg