Artigo Revisado por pares

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

ISSN

1600-5767

Autores

Hugo Mändar, Jürgen Felsche, Valdek Mikli, Toivo Vajakas,

Tópico(s)

Powder Metallurgy Techniques and Materials

Resumo

Dialogues 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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