Reconstruction algorithms for grain mapping by laboratory X-ray diffraction contrast tomography.

IF 6.1 3区 材料科学 Q1 Biochemistry, Genetics and Molecular Biology Journal of Applied Crystallography Pub Date : 2022-12-01 DOI:10.1107/S1600576722010214
Haixing Fang, Wolfgang Ludwig, Pierre Lhuissier
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Abstract

X-ray-based non-destructive 3D grain mapping techniques are well established at synchrotron facilities. To facilitate everyday access to grain mapping instruments, laboratory diffraction contrast tomography (LabDCT), using a laboratory-based conical polychromatic X-ray beam, has been developed and commercialized. Yet the currently available LabDCT grain reconstruction methods are either ill-suited for handling a large number of grains or require a commercial licence bound to a specific instrument. To promote the availability of LabDCT, grain reconstruction methods have been developed with multiple reconstruction algorithms based on both forward and back calculations. The different algorithms are presented in detail and their efficient implementation using parallel computing is described. The performance of different reconstruction methods is assessed on synthetic data. The code to implement all the described algorithms has been made publicly accessible with the intention of fostering the development of grain mapping techniques on widely available laboratory instruments.

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通过实验室 X 射线衍射对比断层扫描绘制晶粒图的重建算法。
基于 X 射线的非破坏性三维晶粒测绘技术已在同步加速器设施中得到广泛应用。为了方便人们日常使用晶粒测绘仪器,利用实验室锥形多色 X 射线束的实验室衍射对比层析成像技术(LabDCT)已经开发出来并实现了商业化。然而,目前可用的 LabDCT 晶粒重建方法要么不适合处理大量晶粒,要么需要与特定仪器绑定的商业许可。为了提高 LabDCT 的可用性,我们开发了基于正向和反向计算的多种重建算法的谷物重建方法。本文详细介绍了不同的算法,并介绍了利用并行计算有效实现这些算法的方法。在合成数据上对不同重建方法的性能进行了评估。实现所有所述算法的代码已经公开,目的是在广泛可用的实验室仪器上促进谷物绘图技术的发展。
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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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SUBGROUPS: a computer tool at the Bilbao Crystallographic Server for the study of pseudo-symmetric or distorted structures. Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction. Electronic angle focusing for neutron time-of-flight powder diffractometers. Link between b.c.c.-f.c.c. orientation relationship and austenite morphology in CF8M stainless steel. In situ counter-diffusion crystallization and long-term crystal preservation in microfluidic fixed targets for serial crystallography.
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