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Rietveld Refinement of Electron Diffraction Patterns of Nanocrystalline Materials Using MAUD: Two-Beam Dynamical Correction Implementation and Applications

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Publicado en:Materials vol. 18, no. 3 (2025), p. 650
Autor principal: Sinha, Ankur
Otros Autores: Valentino Abram, Lutterotti, Luca, Gialanella, Stefano
Publicado:
MDPI AG
Materias:
Nanostructured materials
Crystallites
Electron diffraction
Fourier transforms
Open source software
Crystal defects
Approximation
Industrial applications
Crystallography
Algorithms
Diffraction patterns
Neutron diffraction
Astigmatism
Acceso en línea:Citation/Abstract
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Resumen:Nanocrystalline (NC) materials have widespread industrial usage. X-ray and neutron diffraction techniques are primary tools for studying the structural and microstructural features of NC materials. Selected area electron diffraction (SAED) patterns collected using a transmission electron microscope (TEM) on polycrystalline nanostructured materials, featuring nested rings, that are analogous to Debye–Scherrer patterns, possess similar potentials to aid materials characterisation. The utility of SAED patterns is further enhanced by the possibility of applying crystallographic approaches, like full pattern fitting procedures, based on Rietveld refinement algorithms, enabling the evaluation of material features, such as crystallite size, lattice distortions, defect structures, and the presence of secondary phases even from very small volume scale. In this paper, we have discussed the possibilities afforded by a Rietveld code applied to SAED patterns of NC materials, including the mathematical implementation of the two-beam dynamical correction model in MAUD software (version 2.9995), and a critical discussion of the results obtained on different NC materials.
ISSN:1996-1944
DOI:10.3390/ma18030650
Fuente:Materials Science Database