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Regensburg 2013 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 31: Computational Materials Modelling - Diffusion & Kinetics II

Wednesday, March 13, 2013, 10:15–11:30, H24

10:15 MM 31.1 AKMC simulations of solid-solid phase transformations in molybdenum — •Ari Harjunmaa, Jutta Rogal, and Ralf Drautz
10:30 MM 31.2 A first-principles study of energetics of As, Sb and Bi along selected deformation paths and its application to structure of epitaxial thin films — •Martin Zouhar and Mojmír Šob
10:45 MM 31.3 Phase-field modeling of anisotropically diffusional growth during solid solid transformation: Li-insertion in LiFePO4-cathods for rechargeable Li-ion battery applications — •Holger Federmann, Michael Fleck, and Heike Emmerich
11:00 MM 31.4 Defect-domain wall interactions in ferroelectric materials — •Anand Chandrasekaran, Dragan Damjanovic, Nava Setter, and Nicola Marzari
11:15 MM 31.5 First-principles thermodynamics of paramagnetic fcc iron — •Fritz Körmann, Blazej Grabowski, Biswanath Dutta, Tilmann Hickel, and Jörg Neugebauer
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