{"title":"高通量、高分辨率粉末 X 射线衍射仪由六套二维碲化镉探测器组成,具有可变的样品到探测器距离和创新的自动化系统。","authors":"Shogo Kawaguchi, Shintaro Kobayashi, Hiroki Yamada, Hirotaka Ashitani, Michitaka Takemoto, Yasuhiko Imai, Takaki Hatsui, Kunihisa Sugimoto, Osami Sakata","doi":"10.1107/S1600577524003539","DOIUrl":null,"url":null,"abstract":"<p><p>The demand for powder X-ray diffraction analysis continues to increase in a variety of scientific fields, as the excellent beam quality of high-brightness synchrotron light sources enables the acquisition of high-quality measurement data with high intensity and angular resolution. Synchrotron powder diffraction has enabled the rapid measurement of many samples and various in situ/operando experiments in nonambient sample environments. To meet the demands for even higher throughput measurements using high-energy X-rays at SPring-8, a high-throughput and high-resolution powder diffraction system has been developed. This system is combined with six sets of two-dimensional (2D) CdTe detectors for high-energy X-rays, and various automation systems, including a system for automatic switching among large sample environmental equipment, have been developed in the third experimental hutch of the insertion device beamline BL13XU at SPring-8. In this diffractometer system, high-brilliance and high-energy X-rays ranging from 16 to 72 keV are available. The powder diffraction data measured under ambient and various nonambient conditions can be analysed using Rietveld refinement and the pair distribution function. Using the 2D CdTe detectors with variable sample-to-detector distance, three types of scan modes have been established: standard, single-step and high-resolution. A major feature is the ability to measure a whole powder pattern with millisecond resolution. Equally important, this system can measure powder diffraction data with high Q exceeding 30 Å<sup>-1</sup> within several tens of seconds. This capability is expected to contribute significantly to new research avenues using machine learning and artificial intelligence by utilizing the large amount of data obtained from high-throughput measurements.</p>","PeriodicalId":48729,"journal":{"name":"Journal of Synchrotron Radiation","volume":null,"pages":null},"PeriodicalIF":2.5000,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11226175/pdf/","citationCount":"0","resultStr":"{\"title\":\"High-throughput and high-resolution powder X-ray diffractometer consisting of six sets of 2D CdTe detectors with variable sample-to-detector distance and innovative automation system.\",\"authors\":\"Shogo Kawaguchi, Shintaro Kobayashi, Hiroki Yamada, Hirotaka Ashitani, Michitaka Takemoto, Yasuhiko Imai, Takaki Hatsui, Kunihisa Sugimoto, Osami Sakata\",\"doi\":\"10.1107/S1600577524003539\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The demand for powder X-ray diffraction analysis continues to increase in a variety of scientific fields, as the excellent beam quality of high-brightness synchrotron light sources enables the acquisition of high-quality measurement data with high intensity and angular resolution. Synchrotron powder diffraction has enabled the rapid measurement of many samples and various in situ/operando experiments in nonambient sample environments. To meet the demands for even higher throughput measurements using high-energy X-rays at SPring-8, a high-throughput and high-resolution powder diffraction system has been developed. This system is combined with six sets of two-dimensional (2D) CdTe detectors for high-energy X-rays, and various automation systems, including a system for automatic switching among large sample environmental equipment, have been developed in the third experimental hutch of the insertion device beamline BL13XU at SPring-8. In this diffractometer system, high-brilliance and high-energy X-rays ranging from 16 to 72 keV are available. The powder diffraction data measured under ambient and various nonambient conditions can be analysed using Rietveld refinement and the pair distribution function. Using the 2D CdTe detectors with variable sample-to-detector distance, three types of scan modes have been established: standard, single-step and high-resolution. A major feature is the ability to measure a whole powder pattern with millisecond resolution. Equally important, this system can measure powder diffraction data with high Q exceeding 30 Å<sup>-1</sup> within several tens of seconds. This capability is expected to contribute significantly to new research avenues using machine learning and artificial intelligence by utilizing the large amount of data obtained from high-throughput measurements.</p>\",\"PeriodicalId\":48729,\"journal\":{\"name\":\"Journal of Synchrotron Radiation\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.5000,\"publicationDate\":\"2024-07-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11226175/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Synchrotron Radiation\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1107/S1600577524003539\",\"RegionNum\":3,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/6/20 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Synchrotron Radiation","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1107/S1600577524003539","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/6/20 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
各种科学领域对粉末 X 射线衍射分析的需求不断增加,因为高亮度同步辐射光源的光束质量极佳,能够获得高强度、高角度分辨率的高质量测量数据。同步辐射粉末衍射技术实现了在非环境样品环境中对许多样品和各种原位/操作实验的快速测量。为了满足在 SPring-8 使用高能 X 射线进行更高通量测量的要求,我们开发了一套高通量和高分辨率粉末衍射系统。该系统与六套用于高能 X 射线的二维(2D)碲化镉(CdTe)探测器相结合,并在 SPring-8 插入装置光束线 BL13XU 的第三个实验箱中开发了各种自动化系统,包括大型样品环境设备之间的自动切换系统。在该衍射仪系统中,可使用 16 至 72 keV 的高亮度和高能量 X 射线。在常温和各种非常温条件下测量的粉末衍射数据可使用里特维尔德精炼法和配对分布函数进行分析。利用样品到探测器距离可变的二维碲化镉探测器,建立了三种扫描模式:标准模式、单步模式和高分辨率模式。其主要特点是能够以毫秒级的分辨率测量整个粉末图案。同样重要的是,该系统能在几十秒内测量出超过 30 Å-1 的高 Q 值粉末衍射数据。通过利用从高通量测量中获得的大量数据,这种能力有望为利用机器学习和人工智能的新研究途径做出重大贡献。
High-throughput and high-resolution powder X-ray diffractometer consisting of six sets of 2D CdTe detectors with variable sample-to-detector distance and innovative automation system.
The demand for powder X-ray diffraction analysis continues to increase in a variety of scientific fields, as the excellent beam quality of high-brightness synchrotron light sources enables the acquisition of high-quality measurement data with high intensity and angular resolution. Synchrotron powder diffraction has enabled the rapid measurement of many samples and various in situ/operando experiments in nonambient sample environments. To meet the demands for even higher throughput measurements using high-energy X-rays at SPring-8, a high-throughput and high-resolution powder diffraction system has been developed. This system is combined with six sets of two-dimensional (2D) CdTe detectors for high-energy X-rays, and various automation systems, including a system for automatic switching among large sample environmental equipment, have been developed in the third experimental hutch of the insertion device beamline BL13XU at SPring-8. In this diffractometer system, high-brilliance and high-energy X-rays ranging from 16 to 72 keV are available. The powder diffraction data measured under ambient and various nonambient conditions can be analysed using Rietveld refinement and the pair distribution function. Using the 2D CdTe detectors with variable sample-to-detector distance, three types of scan modes have been established: standard, single-step and high-resolution. A major feature is the ability to measure a whole powder pattern with millisecond resolution. Equally important, this system can measure powder diffraction data with high Q exceeding 30 Å-1 within several tens of seconds. This capability is expected to contribute significantly to new research avenues using machine learning and artificial intelligence by utilizing the large amount of data obtained from high-throughput measurements.
期刊介绍:
Synchrotron radiation research is rapidly expanding with many new sources of radiation being created globally. Synchrotron radiation plays a leading role in pure science and in emerging technologies. The Journal of Synchrotron Radiation provides comprehensive coverage of the entire field of synchrotron radiation and free-electron laser research including instrumentation, theory, computing and scientific applications in areas such as biology, nanoscience and materials science. Rapid publication ensures an up-to-date information resource for scientists and engineers in the field.