MM 11: Topical session: Integrated computational materials engineering for design of new materials III
Monday, March 7, 2016, 15:45–18:00, H39
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15:45 |
MM 11.1 |
Topical Talk:
Search for substitutes of magnetic materials containing critical elements by high-throughput screening and multi-scale modeling — •Christian Elsässer, Wolfgang Körner, Georg Krugel, Matous Mrovec, Daniel F. Urban, and Peter Gumbsch
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16:15 |
MM 11.2 |
Ab initio analysis of the phase stability of Ce-based hard-magnetic materials — •Halil Ibrahim Sözen, Tilmann Hickel, and Jörg Neugebauer
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16:30 |
MM 11.3 |
Theoretical screening of 1-12 and 1-12-X phases on the search for new hard-magnetic compounds with low rare-earth content — Wolfgang Körner, •Georg Krugel, Daniel F. Urban und Christian Elsässer
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16:45 |
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15 min. coffee break
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17:00 |
MM 11.4 |
First-principles study of the colour and reflectivity of metals — •Gianluca Prandini and Nicola Marzari
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17:15 |
MM 11.5 |
"Treasure maps" for magnetic CoFeNiCr-based high-entropy-alloys from first-principles — •Fritz Körmann, Duancheng Ma, Dustin Belyea, Matthew Lucas, Casey Miller, Blazej Grabowski, and Marcel Sluiter
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17:30 |
MM 11.6 |
Ab initio prediction of sound velocities in planetary inner cores — •Jan W. Jaeken, Attilio Rivoldini, Tim van Hoolst, Veronique Van Speybroeck, Michel Waroquier, and Stefaan Cottenier
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17:45 |
MM 11.7 |
Ab initio study on GaP-Si interface formation and properties — •Andreas Stegmüller and Ralf Tonner
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