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

IF 2.8 3区 材料科学 Q1 Biochemistry, Genetics and Molecular Biology
Journal of Applied Crystallography Pub Date : 2025-05-31 eCollection Date: 2025-06-01 DOI:10.1107/S1600576725003553
Maurício B Estradiote, A Gareth A Nisbet, Rafaela F S Penacchio, Marcus A R Miranda, Guilherme A Calligaris, Sérgio L Morelhão
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引用次数: 0

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.

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。
我们提出了一个理论框架来理解单晶中的漫射多重散射(DMS),重点是漫射散射布拉格通道。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,可以提供布拉格锥的清晰可视化。我们的主要贡献在于通过考虑单个互向晶格节点周围的漫射散射(DS)来模拟沿着这些线的强度分布。该模型结合了一般DS和镶嵌性的贡献,阐明了它们与二阶散射事件的联系。这种全面的方法促进了我们对DMS现象的理解,使它们能够用作复杂材料行为的探针,特别是在极端条件下。
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来源期刊
CiteScore
10.00
自引率
3.30%
发文量
178
审稿时长
4.7 months
期刊介绍: Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.
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