Microstructural parameters from X-ray peak profile analysis by Williamson-Hall models; A review

The present study explored the analysis of microstructural parameters from XPPA (Xray Peak Profile Analysis) in the XRD (X-ray diffraction) pattern by Williamson-Hall (W-H) and modified Williamson-Hall (MW-H) models. W-H model is a Uniform Deformation Model (UDM), and MW-H models are the Uniform Stress Deformation Model (USDM) and the Uniform Deformation Energy Density Model (UDEDM). In these models, Williamson-Hall proposed that the intrinsic peak broadening is due to internal stress and the finite size of the coherent scattering region in the sample we considered. Here the importance of the individual contribution of microstructural parameters such as microstrain and average crystallite size for broadening of the peak in the XRD has been discussed. In the Scherrer method, the average crystallite size is calculated; in addition to this, W-H, MW-H methods analysed isotropic lattice strain from UDM, the anisotropic lattice stress from USDM, and energy density per unit volume from UDEDM calibrated from all reflection peaks of XRD. A similar analysis had been reported in the literature, such as Size Strain Plot (SSP), Halder-Wagner Langford (HWL), Warren-Averbach, Balzer, and Enzo methods. However, W-H and MW-H models are more simplified and standard due to the results depicted from these models are inter-related with the results of the Scherrer formula. It indicates that the lattice strain influences the size of crystallite. That appears to confirm the XRD pattern's intrinsic physical line broadening caused by microstructural parameters. This analysis highlights the importance of microstructural parameters in the XRD peak broadening. (C) 2021 Elsevier Ltd. All rights reserved.

Automated summary

The study examined the analysis of microstructural parameters using XPPA in XRD patterns, focusing on the contribution of microstrain and average crystallite size to peak broadening. Results from Williamson-Hall and modified Williamson-Hall models showed that lattice strain influences crystallite size, confirming intrinsic physical line broadening in XRD patterns caused by microstructural parameters.