MM 35: Topical Session Theory meets Experiment III - Bond-order Potentials and Finite Temperature
Mittwoch, 28. März 2012, 15:00–16:15, TC 006
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15:00 |
MM 35.1 |
Topical Talk:
Simplified models of the electronic structure for predicting crystal structure stability — •Ralf Drautz
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15:30 |
MM 35.2 |
SAPIENS, a DFT and experimental based thermophysical database for pure elements — •Mauro Palumbo, Suzana G. Fries, Thomas Hammerschmidt, Ralf Drautz, Fritz Körmann, Tilmann Hickel, and Jörg Neugebauer
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15:45 |
MM 35.3 |
Bond-order potentials for bcc transition metals — •Miroslav Cak, Thomas Hammerschmidt, and Ralf Drautz
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16:00 |
MM 35.4 |
Computing atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron — •Fritz Körmann, Alexey Dick, Blazej Grabowski, Tilmann Hickel, and Jörg Neugebauer
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