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Obtaining parallax-free X-ray powder diffraction computed tomography data with a self-supervised neural network

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摘要 In this study,we introduce a method designed to eliminate parallax artefacts present in X-ray powder diffraction computed tomography data acquired from large samples.These parallax artefactsmanifest as artificial peak shifting,broadening and splitting,leading to inaccurate physicochemical information,such as lattice parameters and crystallite sizes.Our approach integrates a 3D artificial neural network architecture with a forward projector that accounts for the experimental geometry and sample thickness.It is a self-supervised tomographic volume reconstruction approach designed to be chemistry-agnostic,eliminating the need for prior knowledge of the sample’s chemical composition.We showcase the efficacy of this method through its application on both simulated and experimental X-ray powder diffraction tomography data,acquired from a phantom sample and an NMC532 cylindrical lithium-ion battery.
出处 《npj Computational Materials》 CSCD 2024年第1期1133-1144,共12页 计算材料学(英文)
基金 funding through the Innovate UK Analysis for Innovators(A4i)programme(Project No.106003) Parts of this research were carried out at PETRA III.A.V.acknowledges financial support from the Royal Society as a Royal Society Industry Fellow(IF\R2\222059).
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