AXES 1.9: new tools for estimation of crystallite size and shape by Williamson–Hall analysis
1999; Wiley; Volume: 32; Issue: 2 Linguagem: Inglês
10.1107/s0021889898011170
ISSN1600-5767
AutoresHugo Mändar, Jürgen Felsche, Valdek Mikli, Toivo Vajakas,
Tópico(s)Powder Metallurgy Techniques and Materials
ResumoDialogues for the estimation of crystallite size, shape and lattice strain are designed and included in an X-ray powder diffraction (XRPD) program, named AXES . They implement peak fitting and Voigt analysis followed by a Williamson–Hall plot (WHP). Eight different peak-shape functions can be used for individual peak fitting. Volume-weighted crystallite size and effective lattice deformation are calculated from linear interpolation of the WHP. Actual dimensions (diameters of spheres, diameters and heights of cylinders) are calculated, assuming spherical or cylindrical shapes of the crystallites. Results of size–shape analyses can be visualized in the form of a WHP and as an arrow diagram (HPGL format), which shows distribution of observed apparent and true sizes of crystallites with a diffraction vector. The program has been written in Borland Pascal 7.0 for MS-DOS. The executable code is available via the World Wide Web.
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