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使用X射线衍射仪从材料的原位环境中提取准确的PDF数据。

Extracting accurate PDF data from in situ environment of materials using X-ray diffractometer.

作者信息

Shiramata Yuji, Konya Takayuki, Kobayashi Kentaro, Ishii Yui, Hiroi Satoshi, Yamada Hiroki, Ohara Koji

机构信息

Graduate School of Natural Science and Technology, 1060, Nishikawatsu-cho, Matsue, Shimane, 690-8504, Japan.

Product Division, Rigaku Corporation, 3-9-12, Matsubara-cho , Akishima-shi, Tokyo, 196-8666, Japan.

出版信息

Anal Sci. 2025 Jun;41(6):777-782. doi: 10.1007/s44211-025-00728-6. Epub 2025 Feb 13.

DOI:10.1007/s44211-025-00728-6
PMID:39939505
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12137423/
Abstract

Pair distribution function (PDF) analysis is a technique traditionally used at synchrotron radiation facilities, but it is now possible to obtain adequate measurements using laboratory-based equipment as well. In addition, cryo-furnaces that enable in situ measurements while controlling temperature have been well established for some time. PDF analysis requires data from a wide range of reciprocal space, along with measurements at short wavelengths. However, the development of time-resolved PDF measurements, which can be captured within a short time span, has also made significant progress. In this study, we demonstrate the reliability of PDF measurements using laboratory equipment and perform a local structure analysis of materials exhibiting an interesting structural phase transition in LaCuAg through temperature-dependent in situ PDF analysis. By comparing these results with those obtained from synchrotron sources, we provide further validation of the laboratory-based measurements. Our results confirm that in situ PDF measurements obtained with laboratory-based equipment are reliable and effective for studying structural disorder in various materials.

摘要

对分布函数(PDF)分析是一种传统上用于同步辐射设施的技术,但现在使用基于实验室的设备也能够获得足够的测量结果。此外,能够在控制温度的同时进行原位测量的低温炉已经成熟应用了一段时间。PDF分析需要来自广泛倒易空间的数据以及短波长下的测量结果。然而,能够在短时间内获取数据的时间分辨PDF测量技术也取得了显著进展。在本研究中,我们展示了使用实验室设备进行PDF测量的可靠性,并通过温度依赖的原位PDF分析对在LaCuAg中表现出有趣结构相变的材料进行局部结构分析。通过将这些结果与从同步辐射源获得的结果进行比较,我们进一步验证了基于实验室的测量。我们的结果证实,使用基于实验室的设备获得的原位PDF测量对于研究各种材料中的结构无序是可靠且有效的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9aba/12137423/6a91d0a11464/44211_2025_728_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9aba/12137423/46ef8a88dcd5/44211_2025_728_Fig1_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9aba/12137423/64e0aefa1b75/44211_2025_728_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9aba/12137423/6a91d0a11464/44211_2025_728_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9aba/12137423/46ef8a88dcd5/44211_2025_728_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9aba/12137423/8fa6611a6de4/44211_2025_728_Fig2_HTML.jpg
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Advantages of a curved image plate for rapid laboratory-based x-ray total scattering measurements: Application to pair distribution function analysis.用于基于实验室的快速X射线全散射测量的弯曲成像板的优势:在对分布函数分析中的应用。
Rev Sci Instrum. 2021 Apr 1;92(4):043107. doi: 10.1063/5.0040694.
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Highly versatile laboratory X-ray scattering instrument enabling (nano-)material structure analysis on multiple length scales by covering a scattering vector range of almost five decades.
高度通用的实验室X射线散射仪器,通过覆盖近五个数量级的散射矢量范围,能够在多个长度尺度上进行(纳米)材料结构分析。
Rev Sci Instrum. 2019 Dec 1;90(12):123103. doi: 10.1063/1.5130061.
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