Author Topic: Regarding analyzing crystal structures  (Read 74 times)


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Regarding analyzing crystal structures
« on: December 10, 2018, 05:34:54 PM »
Dear OVITO experts,

I am looking for a suitable technique for analyzing crystal structure of ceramic materials like Tio2 during deformation and fracture.

I have studies several existing techniques like  Centrosymmetric,  Bond-angle analysis,  Common-neighbor analysis,  Adaptive common-neighbor analysis, Voronoi analysis and Polyhedral template matching. According to  my studies,  it seems that PTM is the best choice with the highest accuracy for structure analysis. However, I cannot use this method too. Since, Tio2 lattice is Tetragonal and is not available between PTM template structures. I have this problem with other methods too actually!

So, any constructive comment in this regard is highly appreciated.

Yours faithfully,