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高通量同步加速器X射线实验中明暗漫射多重散射线的模拟

Simulation of bright and dark diffuse multiple scattering lines in high-flux synchrotron X-ray experiments.

作者信息

Estradiote Maurício B, Nisbet A Gareth A, Penacchio Rafaela F S, Miranda Marcus A R, Calligaris Guilherme A, Morelhão Sérgio L

机构信息

Institute of Physics, University of São Paulo, São Paulo, SP, Brazil.

Diamond Light Source, Harwell Science & Innovation Campus Harwell OX11 0DE United Kingdom.

出版信息

J Appl Crystallogr. 2025 May 31;58(Pt 3):859-868. doi: 10.1107/S1600576725003553. eCollection 2025 Jun 1.

DOI:10.1107/S1600576725003553
PMID:40475941
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12135989/
Abstract

We present a theoretical framework for understanding diffuse multiple scattering (DMS) in single crystals, focusing on diffuse scattering Bragg channels. These channels, when probed with high-flux low-divergence monochromatic synchrotron X-rays, provide well defined visualizations of Bragg cones. Our main contribution lies in modelling the intensity distribution along these lines by considering diffuse scattering (DS) around individual reciprocal-lattice nodes. The model incorporates contributions from both general DS and mosaicity, elucidating their connection to second-order scattering events. This comprehensive approach advances our understanding of DMS phenomena, enabling their use as probes for complex material behaviour, particularly under extreme conditions.

摘要

我们提出了一个用于理解单晶中漫射多重散射（DMS）的理论框架，重点关注漫散射布拉格通道。当用高通量低发散单色同步加速器X射线探测这些通道时，能提供布拉格锥的清晰可视化图像。我们的主要贡献在于，通过考虑单个倒易晶格节点周围的漫散射（DS）来模拟沿这些线的强度分布。该模型纳入了一般DS和镶嵌性的贡献，阐明了它们与二阶散射事件的联系。这种全面的方法推进了我们对DMS现象的理解，使其能够用作探测复杂材料行为的工具，特别是在极端条件下。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/f13d47732620/j-58-00859-fig12.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/9da869a7d79e/j-58-00859-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/ec2403ebc2c1/j-58-00859-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/6033cb819aad/j-58-00859-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/c912fa0d6328/j-58-00859-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/9ffad26b68d8/j-58-00859-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/1071e0730155/j-58-00859-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/2b7143a059ab/j-58-00859-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/920d80d65a6d/j-58-00859-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/740201e2d6c6/j-58-00859-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/c10aab6225d0/j-58-00859-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/6a5787d3fee9/j-58-00859-fig11.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/f13d47732620/j-58-00859-fig12.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/9da869a7d79e/j-58-00859-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/ec2403ebc2c1/j-58-00859-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/6033cb819aad/j-58-00859-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/c912fa0d6328/j-58-00859-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/9ffad26b68d8/j-58-00859-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/1071e0730155/j-58-00859-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/2b7143a059ab/j-58-00859-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/920d80d65a6d/j-58-00859-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/740201e2d6c6/j-58-00859-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/c10aab6225d0/j-58-00859-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/6a5787d3fee9/j-58-00859-fig11.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f9af/12135989/f13d47732620/j-58-00859-fig12.jpg

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