Size–strain separation in diffraction line profile analysis

Abstract

Separation of size and strain effects on diffraction line profiles has been studied in a round robin involving laboratory instruments and synchrotron radiation beamlines operating with different radiation, optics, detectors and experimental configurations. The studied sample, an extensively ball milled iron alloy powder, provides an ideal test case, as domain size broadening and strain broadening are of comparable size.

Magnetic Nanoparticles of Fe₃O₄ Biosynthesized by <em>Cnicus Benedictus</em> Extract: Photocatalytic Study of Organic Dye Degradation and Antibacterial Behavior

“…shows the hysteresis curve or magnetization curve of the Fe3O4 NP´s. In this figure, we can observe an approximately superparamagnetic behavior[38,42,43] The saturation magnetization (Ms) value is 43.85 emu/g while the coercivity field (Hc) of the sample is 143.75 Oe. Both values are consistent whit the typical values reported in the literature for superparamagnetic materials[48,49].In this sense is possible to affirm that the sample of Fe3O4 NP´s has effectively a superparamagnetic behavior and consequently, their potentials applications in optoelectronics or biomedicine among others, are notable.…”

“…However, in the first part of the Williamson-Hall analysis, is necessary to obtaining parameters derivate to the fit of the peaks profile. The diffraction profile from the Fe3O4 nanoparticles was fitted with pseudo-Voigt (pV) function [38]. The pseudo-Voigt function is the convolution of Gauss and Lorentz functions.…”

“…In order to support the Pseudo-Voigt profile peak fitting, the instrumental resolution function (IRF) of the equipment was described in figure 3 (d). The IRF was plotted from the modified Caglioti equation, which is described follow [38]:…”

“…It is important to note that the Pseudo-Voigt method is a functional and highly accurate method for calculating the crystallite size from the XRD patterns due to this method it is a convolution of the Lorentz and Gauss method for fit peak profiles. Given as result an excellent tool for XRD pattern processing [38]. (table 3).…”

Structure and Surface Morphology Effect on the Cytotoxicity of [Al2O3/ZnO]n/316L SS Nanolaminates Growth by Atomic Layer Deposition (ALD)

“…The extent of atomic diffusion increased with a higher number of interlayer interphases or thinner layers. The subsequent influence on defects-related phenomena (e.g., microstrains or crystalline lattice distortions) with concomitant disruption of crystal growth was evidenced by the broadening of GIXRD peaks [33]. On the other hand, this increase of crystal-growth Refinement of the unit-cell, full width at half maximum (FWHM), and shape parameters were achieved by the LeBail-based "pattern matching" method implemented in the Fullprof program.…”