The recursive description of stacking in layered crystals, originally developed by Treacy et al. [Proc. R. Soc. London Ser. A (1991), 433, 499-520] and implemented in the DIFFaX code, is enclosed in a non-linear least-squares minimization routine and combined with additional models (of specimen-related broadening and instrumental broadening) to allow the simultaneous refinement of both structural and microstructural parameters of a layered crystal. This implementation is named DIFFaX+. As examples, the refinements both of a simulated pattern of diamond, showing fault clustering, and of the observed powder pattern of a synthetic stoichiometric nanocrystalline chrysotile are reported.

Simultaneous refinement of structure and microstructure of layered materials / M., Leoni; Gualtieri, Alessandro; N., Roveri. - In: JOURNAL OF APPLIED CRYSTALLOGRAPHY. - ISSN 0021-8898. - STAMPA. - 37:(2004), pp. 166-173.

Simultaneous refinement of structure and microstructure of layered materials

GUALTIERI, Alessandro;
2004-01-01

Abstract

The recursive description of stacking in layered crystals, originally developed by Treacy et al. [Proc. R. Soc. London Ser. A (1991), 433, 499-520] and implemented in the DIFFaX code, is enclosed in a non-linear least-squares minimization routine and combined with additional models (of specimen-related broadening and instrumental broadening) to allow the simultaneous refinement of both structural and microstructural parameters of a layered crystal. This implementation is named DIFFaX+. As examples, the refinements both of a simulated pattern of diamond, showing fault clustering, and of the observed powder pattern of a synthetic stoichiometric nanocrystalline chrysotile are reported.
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Simultaneous refinement of structure and microstructure of layered materials / M., Leoni; Gualtieri, Alessandro; N., Roveri. - In: JOURNAL OF APPLIED CRYSTALLOGRAPHY. - ISSN 0021-8898. - STAMPA. - 37:(2004), pp. 166-173.
M., Leoni; Gualtieri, Alessandro; N., Roveri
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/306388
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