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Berlin 2012 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 13: Computational Materials Modelling III - Alloys

Monday, March 26, 2012, 15:45–17:00, TC 006

15:45 MM 13.1 Cluster expansions for kinetic Monte-Carlo simulations: towards time evolution with DFT accuracy — •Tobias C. Kerscher, Martin Leitner, Stefan Müller, and Raimund Podloucky
16:00 MM 13.2 Tight-binding modelling of complex alloys: methods and challenges — •Eunan J. McEniry, Georg K. H. Madsen, and Ralf Drautz
16:15 MM 13.3 Theoretical investigation of Cr-Sb compounds - structure and magnetic properties — •G. Kuhn, S. Mankovsky, S. Polesya, H. Ebert, M. Regus, and W. Bensch
16:30 MM 13.4 Effects of In concentration in CuGa1−xInxSe2: a first-principles study — •Rolando Saniz, Dirk Lamoen, and Bart Partoens
16:45 MM 13.5 Ground-state structures and elastic properties of Ni-Ti-Hf shape memory alloys: An ab-initio study — •Jürgen Spitaler, Daniel Lüftner, Rostam Golesorkhtabar, Peter Puschnig, and Claudia Ambrosch-Draxl
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