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Texture tomography, a versatile framework to study crystalline texture in 3D

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Datum

2024

Autor:innen

Frewein, Moritz P. K.
Mason, Jeremy
Medjahed, A.
Burghammer, Manfred
Allain, M.
Grünewald, Tilman A.

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European Union (EU): 101041871

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Open Access-Veröffentlichung
Open Access Gold
Core Facility der Universität Konstanz

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Published

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IUCrJ. International Union of Crystallography (IUCr). 2024, 11(5), S. 809-820. eISSN 2052-2525. Verfügbar unter: doi: 10.1107/s2052252524006547

Zusammenfassung

Crystallographic texture is a key organization feature of many technical and biological materials. In these materials, especially hierarchically structured ones, the preferential alignment of the nano constituents heavily influences the macroscopic behavior of the material. To study local crystallographic texture with both high spatial and angular resolution, we developed Texture Tomography ( TexTOM ). This approach allows the user to model the diffraction data of polycrystalline materials using the full reciprocal space of the crystal ensemble and describe the texture in each voxel via an orientation distribution function, hence it provides 3D reconstructions of the local texture by measuring the probabilities of all crystal orientations. The TexTOM approach addresses limitations associated with existing models: it correlates the intensities from several Bragg reflections, thus reducing ambiguities resulting from symmetry. Further, it yields quantitative probability distributions of local real space crystal orientations without further assumptions about the sample structure. Finally, its efficient mathematical formulation enables reconstructions faster than the time scale of the experiment. This manuscript presents the mathematical model, the inversion strategy and its current experimental implementation. We show characterizations of simulated data as well as experimental data obtained from a synthetic, inorganic model sample: the silica–witherite biomorph. TexTOM provides a versatile framework to reconstruct 3D quantitative texture information for polycrystalline samples; it opens the door for unprecedented insights into the nanostructural makeup of natural and technical materials.

Zusammenfassung in einer weiteren Sprache

Fachgebiet (DDC)
540 Chemie

Schlagwörter

TexTOM, computational modeling, nanostructure, computed tomography, WAXS

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ISO 690FREWEIN, Moritz P. K., Jeremy MASON, Britta MAIER, Helmut CÖLFEN, A. MEDJAHED, Manfred BURGHAMMER, M. ALLAIN, Tilman A. GRÜNEWALD, 2024. Texture tomography, a versatile framework to study crystalline texture in 3D. In: IUCrJ. International Union of Crystallography (IUCr). 2024, 11(5), S. 809-820. eISSN 2052-2525. Verfügbar unter: doi: 10.1107/s2052252524006547
BibTex
@article{Frewein2024-09-01Textu-71232,
  year={2024},
  doi={10.1107/s2052252524006547},
  title={Texture tomography, a versatile framework to study crystalline texture in 3D},
  number={5},
  volume={11},
  journal={IUCrJ},
  pages={809--820},
  author={Frewein, Moritz P. K. and Mason, Jeremy and Maier, Britta and Cölfen, Helmut and Medjahed, A. and Burghammer, Manfred and Allain, M. and Grünewald, Tilman A.}
}
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