Crystallite size distribution and dislocation structure determined by diffraction profile analysis: Principles and practical application to cubic and hexagonal crystals

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Abstract

Two different methods of diffraction profile analysis are presented. In the first, the breadths and the first few Fourier coefficients of diffraction profiles are analysed by modified Williamson-Hall and Warren-Averbach procedures. A simple and pragmatic method is suggested to determine the crystallite size distribution in the presence of strain. In the second, the Fourier coefficients of the measured physical profiles are fitted by Fourier coefficients of well established ab initio functions of size and strain profiles. In both procedures, strain anisotropy is rationalized by the dislocation model of the mean square strain. The procedures are applied and tested on a nanocrystalline powder of silicon nitride and a severely plastically deformed bulk copper specimen. The X-ray crystallite size distributions are compared with size distributions obtained from transmission electron microscopy (TEM) micrographs. There is good agreement between X-ray and TEM data for nanocrystalline loose powders. In bulk materials, a deeper insight into the microstructure is needed to correlate the X-ray and TEM results.

Original languageEnglish
Pages (from-to)298-310
Number of pages13
JournalJournal of Applied Crystallography
Volume34
Issue number3
DOIs
Publication statusPublished - 2001

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Crystallite size
Diffraction
Nanocrystalline powders
Crystals
Transmission Electron Microscopy
profiles
Transmission electron microscopy
diffraction
X rays
transmission electron microscopy
crystals
X-Rays
coefficients
Powders
x rays
silicon nitrides
Anisotropy
Copper
copper
microstructure

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Structural Biology

Cite this

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abstract = "Two different methods of diffraction profile analysis are presented. In the first, the breadths and the first few Fourier coefficients of diffraction profiles are analysed by modified Williamson-Hall and Warren-Averbach procedures. A simple and pragmatic method is suggested to determine the crystallite size distribution in the presence of strain. In the second, the Fourier coefficients of the measured physical profiles are fitted by Fourier coefficients of well established ab initio functions of size and strain profiles. In both procedures, strain anisotropy is rationalized by the dislocation model of the mean square strain. The procedures are applied and tested on a nanocrystalline powder of silicon nitride and a severely plastically deformed bulk copper specimen. The X-ray crystallite size distributions are compared with size distributions obtained from transmission electron microscopy (TEM) micrographs. There is good agreement between X-ray and TEM data for nanocrystalline loose powders. In bulk materials, a deeper insight into the microstructure is needed to correlate the X-ray and TEM results.",
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T1 - Crystallite size distribution and dislocation structure determined by diffraction profile analysis

T2 - Principles and practical application to cubic and hexagonal crystals

AU - Ungár, T.

AU - Gubicza, J.

AU - Ribárik, G.

AU - Borbély, A.

PY - 2001

Y1 - 2001

N2 - Two different methods of diffraction profile analysis are presented. In the first, the breadths and the first few Fourier coefficients of diffraction profiles are analysed by modified Williamson-Hall and Warren-Averbach procedures. A simple and pragmatic method is suggested to determine the crystallite size distribution in the presence of strain. In the second, the Fourier coefficients of the measured physical profiles are fitted by Fourier coefficients of well established ab initio functions of size and strain profiles. In both procedures, strain anisotropy is rationalized by the dislocation model of the mean square strain. The procedures are applied and tested on a nanocrystalline powder of silicon nitride and a severely plastically deformed bulk copper specimen. The X-ray crystallite size distributions are compared with size distributions obtained from transmission electron microscopy (TEM) micrographs. There is good agreement between X-ray and TEM data for nanocrystalline loose powders. In bulk materials, a deeper insight into the microstructure is needed to correlate the X-ray and TEM results.

AB - Two different methods of diffraction profile analysis are presented. In the first, the breadths and the first few Fourier coefficients of diffraction profiles are analysed by modified Williamson-Hall and Warren-Averbach procedures. A simple and pragmatic method is suggested to determine the crystallite size distribution in the presence of strain. In the second, the Fourier coefficients of the measured physical profiles are fitted by Fourier coefficients of well established ab initio functions of size and strain profiles. In both procedures, strain anisotropy is rationalized by the dislocation model of the mean square strain. The procedures are applied and tested on a nanocrystalline powder of silicon nitride and a severely plastically deformed bulk copper specimen. The X-ray crystallite size distributions are compared with size distributions obtained from transmission electron microscopy (TEM) micrographs. There is good agreement between X-ray and TEM data for nanocrystalline loose powders. In bulk materials, a deeper insight into the microstructure is needed to correlate the X-ray and TEM results.

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