International Tables for Crystallography (2018). Vol. H, ch. 3.6, pp. 288-303
https://doi.org/10.1107/97809553602060000951

Chapter 3.6. Whole powder pattern modelling: microstructure determination from powder diffraction data

Contents

  • 3.6. Whole powder pattern modelling: microstructure determination from powder diffraction data  (pp. 288-303) | html | pdf | chapter contents |
    • 3.6.1. Introduction  (pp. 288-289) | html | pdf |
    • 3.6.2. Fourier methods  (pp. 289-298) | html | pdf |
      • 3.6.2.1. Definitions  (p. 289) | html | pdf |
      • 3.6.2.2. Peak profile and the convolution theorem  (p. 289) | html | pdf |
      • 3.6.2.3. The Warren–Averbach method and its variations  (pp. 289-290) | html | pdf |
      • 3.6.2.4. Beyond the Warren–Averbach method  (p. 290) | html | pdf |
      • 3.6.2.5. Whole powder pattern modelling (WPPM)  (pp. 290-291) | html | pdf |
      • 3.6.2.6. Broadening components  (pp. 291-296) | html | pdf |
        • 3.6.2.6.1. Instrument  (p. 291) | html | pdf |
        • 3.6.2.6.2. Source emission profile  (p. 291) | html | pdf |
        • 3.6.2.6.3. Optical elements  (pp. 291-292) | html | pdf |
        • 3.6.2.6.4. Domain size and shape  (pp. 292-293) | html | pdf |
        • 3.6.2.6.5. Strain broadening (lattice distortions)  (p. 293) | html | pdf |
        • 3.6.2.6.6. Dislocations  (pp. 293-295) | html | pdf |
        • 3.6.2.6.7. Twin and deformation faults  (pp. 295-296) | html | pdf |
        • 3.6.2.6.8. Antiphase domain boundaries  (p. 296) | html | pdf |
      • 3.6.2.7. Assembling the equations into a peak and modelling the data  (pp. 296-298) | html | pdf |
        • 3.6.2.7.1. Alternative approaches  (pp. 297-298) | html | pdf |
    • 3.6.3. Examples of WPPM analysis  (pp. 298-301) | html | pdf |
      • 3.6.3.1. Nanocrystalline ceria  (pp. 298-299) | html | pdf |
      • 3.6.3.2. Copper oxide  (pp. 299-301) | html | pdf |
    • Appendix 3.6.1. Functions for profile shapes  (p. 301) | html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 3.6.1. X-ray powder diffraction pattern of nanocrystalline ceria calcined at 673 K  (p. 298) | html | pdf |
      • Fig. 3.6.2. Parameterization of the instrumental resolution function using a pseudo-Voigt and the relationship of Caglioti et al  (p. 298) | html | pdf |
      • Fig. 3.6.3. Size distribution of the ceria powder: WPPM (line) and TEM (histogram)  (p. 299) | html | pdf |
      • Fig. 3.6.4. TEM micrograph of the calcined ceria powder  (p. 299) | html | pdf |
      • Fig. 3.6.5. Result of WPPM of ball-milled Cu2O: raw data (dots), model (line) and difference (lower line)  (p. 300) | html | pdf |
      • Fig. 3.6.6. Domain-size distribution of cuprite: (a) WPPM result and (b) distribution multiplied by D3  (p. 300) | html | pdf |
    • Tables
      • Table 3.6.1. Scherrer constants (Kw and Kβ) for various domain shapes (Langford & Wilson, 1978)  (p. 288) | html | pdf |
      • Table 3.6.2. Models for antiphase domain boundaries for the Cu3Au case  (p. 296) | html | pdf |