基于正演模型的晶粒重建,以提高衍射对比层析成像对增加的样品变形的容忍度。

IF 2.8 3区 材料科学 Q1 Biochemistry, Genetics and Molecular Biology
Journal of Applied Crystallography Pub Date : 2025-05-12 eCollection Date: 2025-06-01 DOI:10.1107/S160057672500250X
Haixing Fang, Wolfgang Ludwig
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引用次数: 0

摘要

为了扩大同步加速器衍射对比层析成像(DCT)对更多塑性变形材料的适用性,我们开发了一种基于正演模型的重建方法。这使我们能够重建材料中的颗粒形状和局部取向,这些材料显示出颗粒内取向扩散的水平,而传统的基于friedel -pair的索引和层析重建方法无法处理。该方法由种子索引和区域索引两部分组成,首先对种子方向进行穷举搜索和拟合,对种子方向进行索引,然后通过测试种子方向周围的局部方向列表进行区域索引,以最大限度地提高完整性。采用完全再结晶Al-Cu合金、中度变形α-Ti合金和10%蠕变断裂Fe-Au合金为样品,对该方法与基于传统friedel配对重建方法和层析重建方法的重建能力进行了基准测试和比较。结果表明,该方法具有克服变形约束的潜力,可以较好地重建晶内取向。它也适用于多相重建和箱形梁和线形梁采集几何形状。实现已经变得灵活,以支持使用单个或多个GPU机器。相对于传统的friedel -pair匹配方法,详细讨论了当前基于前向模型的重建方法的优缺点。为了充分利用和补充两种方法的优势,实现当前基于前向模型的重建的代码已与现有的DCT代码完全集成,并开放源代码用于波束线数据处理。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Forward-model-based grain reconstruction to improve the tolerance of diffraction contrast tomography for increased sample deformation.

To extend the applicability of synchrotron diffraction contrast tomography (DCT) towards more plastically deformed materials, we have developed a forward-model-based reconstruction method. This allows us to reconstruct grain shapes and local orientations in materials exhibiting levels of intragranular orientation spread that can no longer be handled with the conventional Friedel-pair-based indexing and tomographic reconstruction approach. This method consists of seed and regional indexing, in which an exhaustive searching and fitting of orientations is first performed to index the seed orientation, and then a regional indexing by testing a list of local orientations around the seed orientation is carried out to maximize the completeness. The capability of this novel method was benchmarked and compared with reconstructions based on the conventional Friedel-pair-matching and tomographic reconstruction method using samples made from fully recrystallized Al-Cu alloy, moderately deformed α-Ti alloy and 10% creep-ruptured Fe-Au alloy. The results show that this method has the potential to overcome the deformation constraint and can reconstruct reasonably well the intragranular orientations. It is also suitable for multi-phase reconstruction and both box-beam and line-beam acquisition geometries. The implementation has been made flexible to support the use of single or multiple GPU machines. The strengths and weaknesses of the current forward-model-based reconstruction are discussed in detail with respect to the conventional Friedel-pair-matching method. To fully exploit and complement the strengths of the two methods, the code to implement the current forward-model-based reconstruction has been fully integrated with the existing DCT code and is open source for beamline data processing.

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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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