Three-phase material mapping with incomplete X-ray diffraction spectral information.

IF 6.1 3区 材料科学 Q1 Biochemistry, Genetics and Molecular Biology Journal of Applied Crystallography Pub Date : 2023-06-01 DOI:10.1107/S160057672300331X
Xuyang Chang, Karine Lavernhe-Taillard, Stéphane Roux, Olivier Hubert
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Abstract

An equiatomic nickel-titanium shape-memory alloy specimen subjected to a uniaxial tensile load undergoes a two-step phase transformation under stress, from austenite (A) to a rhombohedral phase (R) and further to martensite (M) variants. The pseudo-elasticity that goes accompanies the phase transformation induces spatial inhomogeneity. To unravel the spatial distribution of the phases, in situ X-ray diffraction analyses are performed while the sample is under tensile load. However, the diffraction spectra of the R phase, as well as the extent of potential martensite detwinning, are not known. A novel algorithm, based on a proper orthogonal decomposition and incorporating inequality constraints, is proposed in order to map out the different phases and simultaneously yield the missing diffraction spectral information. An experimental case study illustrates the methodology.

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不完全x射线衍射光谱信息的三相材料映射。
在单轴拉伸载荷作用下,等原子镍钛形状记忆合金试样在应力作用下经历两步相变,从奥氏体(a)到菱形体(R),再到马氏体(M)。伴随相变而来的伪弹性引起空间不均匀性。为了揭示相的空间分布,在试样处于拉伸载荷下进行了原位x射线衍射分析。然而,R相的衍射谱以及潜在的马氏体孪晶的程度是未知的。提出了一种基于适当的正交分解并结合不等式约束的新算法,以绘制出不同的相位并同时得到缺失的衍射光谱信息。一个实验案例研究说明了该方法。
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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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