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Fast calculation of scattering patterns using hypergeometric function algorithms

The scattering of light, X-rays, electrons or neutrons by matter is used widespread for structural characterization from atomic to macroscopic length scales. With the advent of high-brilliance beam sources and the development fast, large area pixelated detectors, scattering patterns are now acquired...

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Detalles Bibliográficos
Autores principales: Wagener, Michael, Förster, Stephan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841017/
https://www.ncbi.nlm.nih.gov/pubmed/36642747
http://dx.doi.org/10.1038/s41598-023-27558-8
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author Wagener, Michael
Förster, Stephan
author_facet Wagener, Michael
Förster, Stephan
author_sort Wagener, Michael
collection PubMed
description The scattering of light, X-rays, electrons or neutrons by matter is used widespread for structural characterization from atomic to macroscopic length scales. With the advent of high-brilliance beam sources and the development fast, large area pixelated detectors, scattering patterns are now acquired at unprecedented frame rates and frame sizes. The slow analysis of these scattering patterns has evolved into a severe bottleneck retarding scientific insight. Here we introduce an algorithm based on the use of hypergeometric functions providing gains in computational speed of up to 10(5) compared to present numerical integration algorithms. Hypergeometric functions provide analytical descriptions of geometrical shapes, can be rapidly computed as series and asymptotic expansions, and can be efficiently implemented in GPUs. The algorithm provides the necessary computational speed to calculate scattering patterns on timescales required for real-time experiment feedback, the analysis of large volumes of scattering data, and for the generation of training data sets for machine learning.
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spelling pubmed-98410172023-01-17 Fast calculation of scattering patterns using hypergeometric function algorithms Wagener, Michael Förster, Stephan Sci Rep Article The scattering of light, X-rays, electrons or neutrons by matter is used widespread for structural characterization from atomic to macroscopic length scales. With the advent of high-brilliance beam sources and the development fast, large area pixelated detectors, scattering patterns are now acquired at unprecedented frame rates and frame sizes. The slow analysis of these scattering patterns has evolved into a severe bottleneck retarding scientific insight. Here we introduce an algorithm based on the use of hypergeometric functions providing gains in computational speed of up to 10(5) compared to present numerical integration algorithms. Hypergeometric functions provide analytical descriptions of geometrical shapes, can be rapidly computed as series and asymptotic expansions, and can be efficiently implemented in GPUs. The algorithm provides the necessary computational speed to calculate scattering patterns on timescales required for real-time experiment feedback, the analysis of large volumes of scattering data, and for the generation of training data sets for machine learning. Nature Publishing Group UK 2023-01-15 /pmc/articles/PMC9841017/ /pubmed/36642747 http://dx.doi.org/10.1038/s41598-023-27558-8 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Wagener, Michael
Förster, Stephan
Fast calculation of scattering patterns using hypergeometric function algorithms
title Fast calculation of scattering patterns using hypergeometric function algorithms
title_full Fast calculation of scattering patterns using hypergeometric function algorithms
title_fullStr Fast calculation of scattering patterns using hypergeometric function algorithms
title_full_unstemmed Fast calculation of scattering patterns using hypergeometric function algorithms
title_short Fast calculation of scattering patterns using hypergeometric function algorithms
title_sort fast calculation of scattering patterns using hypergeometric function algorithms
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841017/
https://www.ncbi.nlm.nih.gov/pubmed/36642747
http://dx.doi.org/10.1038/s41598-023-27558-8
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