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Study of Short-range Ordering in Amorphous and Nanocrystalline Materials from Laboratory based Pair Distribution Function (LPDF)
Transactions of the Indian Ceramic Society ( IF 1.2 ) Pub Date : 2020-07-02 , DOI: 10.1080/0371750x.2020.1787866
Ripan K. Biswas 1 , Jiten Ghosh 1 , Muraleedharan Kuttanellore 1
Affiliation  

Determination of local atomic structure at nanoscale for both amorphous and nanocrystalline materials is very difficult and challenging. Local arrangement of atoms needs to be studied for understanding the local or short-range structural information. Pair distribution function (PDF) analysis is a technique used to study the short-range structure of the materials based on local atomic arrangement of atoms using synchrotron and neutron sources. But there is a demand for routine analysis based on laboratory X-ray diffractometer (XRD) using Ag radiation (λ=0.5608 Å) with maximum achievable Q value of 22 Å–1. An attempt has been taken to study the short-range structure in crystalline Ni, silica glass (SiO2) and nano silica using total scattering experiment to show the capabilities and usefulness of PDF technique in laboratory XRD and are compared with the data from synchrotron radiation to achieve good quality scattering data and optimizing technical feasibility of the optics. PDF results of Ni showed the goodness of optical alignment. The first Si-O distance for both silica samples signified that they hold short- range order within the tetrahedral unit while differences are observed at higher radial distances. Laboratory based PDF experiment helped to get local/short- range structural information for better understanding the multifunctional properties of nano and disordered materials. GRAPHICAL ABSTRACT

中文翻译:

从实验室对分布函数 (LPDF) 研究非晶和纳米晶材料的短程有序

在纳米尺度上确定非晶和纳米晶体材料的局部原子结构非常困难和具有挑战性。需要研究原子的局部排列以了解局部或短程结构信息。对分布函数 (PDF) 分析是一种用于基于使用同步加速器和中子源的原子局部原子排列来研究材料短程结构的技术。但是需要基于实验室 X 射线衍射仪 (XRD) 使用银辐射 (λ=0.5608 Å) 进行常规分析,最大可实现 Q 值为 22 Å–1。已尝试研究结晶镍的短程结构,二氧化硅玻璃 (SiO2) 和纳米二氧化硅使用全散射实验来展示 PDF 技术在实验室 XRD 中的能力和实用性,并与来自同步辐射的数据进行比较,以获得高质量的散射数据并优化光学器件的技术可行性。Ni的PDF结果显示了光学对准的良好性。两种二氧化硅样品的第一个 Si-O 距离表明它们在四面体单元内保持短程有序,而在更高的径向距离处观察到差异。基于实验室的 PDF 实验有助于获得局部/短程结构信息,以更好地了解纳米和无序材料的多功能特性。图形概要 Ni的PDF结果显示了光学对准的良好性。两种二氧化硅样品的第一个 Si-O 距离表明它们在四面体单元内保持短程有序,而在更高的径向距离处观察到差异。基于实验室的 PDF 实验有助于获得局部/短程结构信息,以更好地了解纳米和无序材料的多功能特性。图形概要 Ni的PDF结果显示了光学对准的良好性。两种二氧化硅样品的第一个 Si-O 距离表明它们在四面体单元内保持短程有序,而在更高的径向距离处观察到差异。基于实验室的 PDF 实验有助于获得局部/短程结构信息,以更好地了解纳米和无序材料的多功能特性。图形概要
更新日期:2020-07-02
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