Dresden 2011 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 10: Computational Materials Modelling III

MM 10.7: Vortrag

Montag, 14. März 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.