MM 31: Computational Materials Modelling - Diffusion & Kinetics II
Wednesday, March 13, 2013, 10:15–11:30, H24
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10:15 |
MM 31.1 |
AKMC simulations of solid-solid phase transformations in molybdenum — •Ari Harjunmaa, Jutta Rogal, and Ralf Drautz
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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
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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
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11:00 |
MM 31.4 |
Defect-domain wall interactions in ferroelectric materials — •Anand Chandrasekaran, Dragan Damjanovic, Nava Setter, and Nicola Marzari
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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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