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X-ray powder diffraction in education. Part I. Bragg peak profiles

A collection of scholarly scripts dealing with the mathematics and physics of peak profile functions in X-ray powder diffraction has been written using the Wolfram language in Mathematica. Common distribution functions, the concept of convolution in real and Fourier space, instrumental aberrations,...

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Detalles Bibliográficos
Autores principales: Dinnebier, Robert, Scardi, Paolo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8662968/
https://www.ncbi.nlm.nih.gov/pubmed/34963769
http://dx.doi.org/10.1107/S1600576721009183
Descripción
Sumario:A collection of scholarly scripts dealing with the mathematics and physics of peak profile functions in X-ray powder diffraction has been written using the Wolfram language in Mathematica. Common distribution functions, the concept of convolution in real and Fourier space, instrumental aberrations, and microstructural effects are visualized in an interactive manner and explained in detail. This paper is the first part of a series dealing with the mathematical description of powder diffraction patterns for teaching and education purposes.