MM 30: Methods in Computational Materials Modelling III: Thermodynamics
Mittwoch, 18. März 2015, 10:15–11:45, H 0106
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10:15 |
MM 30.1 |
Magnetic materials at high temperature from first-principles: disordered magnetism, vibrations, phase stability and magnetic exchange interactions — •Björn Alling
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10:30 |
MM 30.2 |
Phonon modes in Binary Crystals with Positional Disorder — •Tadeus Ras and Matthias Fuchs
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10:45 |
MM 30.3 |
Sampling of temperature-dependent interactions within the cluster-expansion framework — •Sascha B. Maisel, Albert Glensk, Dominique Korbmacher, Tilmann Hickel, Blazej Grabowksi, and Jörg Neugebauer
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11:00 |
MM 30.4 |
Ab initio description of unstable phases at finite temperatures: The Ti bcc to ω transition — •Dominique Korbmacher, Albert Glensk, Blazej Grabowski, Tilmann Hickel, and Jörg Neugebauer
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11:15 |
MM 30.5 |
First principles study of competing phases in binary Ti-Ta alloys — •tanmoy chakraborty, jutta rogal, and ralf drautz
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11:30 |
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15 min. break
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