MM 59: Computational Materials Modelling - Phase Stability III
Thursday, March 14, 2013, 15:45–17:00, H24
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15:45 |
MM 59.1 |
Phase diagram of CrxSby - A theoretical study on the structural and magnetic properties — •Gerhard Kuhn, Svitlana Polesya, Sergiy Mankovsky, Hubert Ebert, Matthias Regus, and Wolfgang Bensch
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16:00 |
MM 59.2 |
Rationalizing and screening high throughput DFT calculations using systematic tight binding models of transition metal - group 14 compounds. — •Alessandro Parma, Eunan J. McEniry, Ingo Opahle, Georg K. H. Madsen, and Ralf Drautz
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16:15 |
MM 59.3 |
Phase diagram and thermodynamic properties of aluminum nitride from ab initio calculations — •Steve Schmerler and Jens Kortus
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16:30 |
MM 59.4 |
Structure optimization via “local heat pulse”-quench cycles — •Arnulf Möbius and Christian Schön
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16:45 |
MM 59.5 |
Improving the magneto-caloric effect in layered alloys: an ab-initio investigation — •Biswanath Dutta, Tilmann Hickel, Jörg Neugebauer, and Andreas Hütten
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