Study of Short-range Ordering in Amorphous and Nanocrystalline Materials from Laboratory based Pair Distribution Function (LPDF)

Abstract

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

Keywords:

• Pair distribution function
• PDF
• Total scattering
• Glass silica
• Nanomaterials
• Laboratory XRD