Dresden 2011 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 10: Computational Materials Modelling III
MM 10.7: Talk
Monday, March 14, 2011, 17:15–17:30, IFW B
Studying grain growth in SrTiO3 by diffraction contrast tomography and simulation — •Melanie Syha1, Wolfgang Rheinheimer2, Michael Bäurer2, Erik M. Lauridsen3, Wolfgang Ludwig4, and Daniel Weygand1 — 1Karlsruher Institut für Technologie, IZBS, — 2Karlsruher Institut für Technologie, IKM ,Kaiserstr. 12, 76131 Karlsruhe, Germany — 3Risø National Laboratory for Sustainable Energy, 4000 Roskilde, Denmark — 4European Synchrotron Radiation Facility, 38043 Grenoble, France
A comparison of the three dimensional (3D) grain structure in SrTiO3 measured by diffraction contrast tomography (DCT) experiments and mesoscale grain growth simulations is presented. The objective of this study is to explain the recently observed growth anomaly in SrTiO3. The simulations allow for a systematical parameter variation, while the DCT experiments yield fundamental insight on structure and crystallography in 3D. In conjunction, these methods give access to the details of the topological quantities in grain structures and form an appropriate tool to study the influence of interface parameter variations on the grain morphology. The applied simulation tool is a 3D vertex dynamics model capable of handling inclination and misorientation dependent interface properties in structures consisting of several thousand grains. Using existing experimental data on orientation dependent interface energies/mobilities, as well as DCT results on structure, grain/pore shape and crystallography as input, the model has been enabled to depict the microstructural evolution of SrTiO3 during annealing. A detailed comparison with 3D annealing experiments is provided.