MM 15: Computational Materials Modelling III - Bulk thermodynamics/ Phase Transitions I
Monday, March 31, 2014, 15:45–17:45, IFW D
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15:45 |
MM 15.1 |
Impact of weak and strong magnetic coupling on the thermodynamics of chromium — •Fritz Körmann, Blazej Grabowski, Tilmann Hickel, and Jörg Neugebauer
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16:00 |
MM 15.2 |
Thermomechanical properties of α-iron from first-principles — •Daniele Dragoni, Davide Ceresoli, and Nicola Marzari
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16:15 |
MM 15.3 |
Influence of magnetism on the stability of binary transition-metal compounds — •Alvin Noe Ladines, Thomas Hammerschmidt, and Ralf Drautz
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16:30 |
MM 15.4 |
Thermally stable h.c.p.-based phases in Ni-W thin films — •Sascha B. Maisel, Silke J. B. Kurz, Andreas Leineweber, Stefan Müller, and Eric J. Mittemeijer
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16:45 |
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15 min break
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17:00 |
MM 15.5 |
Ab initio based insights into structural transformations and the role of interfaces in Fe-C alloys — •Xie Zhang, Tilmann Hickel, Jörg Neugebauer, Jutta Rogal, and Ralf Drautz
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17:15 |
MM 15.6 |
Atomistic simulation of transformations at disordered FeCr bcc-σ interfaces — •Thomas Schablitzki, Jutta Rogal, and Ralf Drautz
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17:30 |
MM 15.7 |
First-principles approach to investigate hydrogen cluster formation in austenitic Mn-rich steels — •Aurab Chakrabarty, Robert Spatschek, Tilmann Hickel, and Joerg Neugebauer
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