Applications of Total Pattern Fitting to a Study of Crystallite Size and Strain in Zinc Oxide Powder

1986 ◽  
Vol 1 (3) ◽  
pp. 211-221 ◽  
Author(s):  
J. I. Langford ◽  
D. Louër ◽  
E. J. Sonneveld ◽  
J. W. Visser
Keyword(s):  
Zinc Oxide ◽  
Crystallite Size ◽  
Lattice Strain ◽  
Pattern Analysis ◽  
Rapid Assessment ◽  
Preliminary Results ◽  
Novel Approach ◽  
Hall Plot ◽  
Zinc Oxide Powder

AbstractA novel approach to the determination of crystallite size and lattice strain by means of Total Pattern Analysis is described. Parameters to define the position, magnitude, breadth and shape of individual peaks are obtained by an adaptation of the pattern fitting program of Sonneveld and Visser (J. Appl. Cryst. 8, 1–7, 1975). A rapid assessment of the nature of the specimen broadening is given by a Williamson-Hall Plot. This leads to a more detailed study of line breadths by, for example, Voigt analysis applied to several orders of reflections or to single lines. Preliminary results are given for the application of this procedure to ‘size only’ and ‘size-strain’ samples of ZnO.

AXES1.9: new tools for estimation of crystallite size and shape by Williamson–Hall analysis

1999 ◽  
Vol 32 (2) ◽  
pp. 345-350 ◽  
Author(s):  
Hugo Mändar ◽  
Jürgen Felsche ◽  
Valdek Mikli ◽  
Toivo Vajakas
Keyword(s):  
Crystallite Size ◽  
Lattice Strain ◽  
Linear Interpolation ◽  
Shape Functions ◽  
Diffraction Vector ◽  
X Ray ◽  
Peak Fitting ◽  
Hall Plot ◽  
The World ◽  
Shape Analyses

Dialogues for the estimation of crystallite size, shape and lattice strain are designed and included in an X-ray powder diffraction (XRPD) program, namedAXES. 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 availableviathe World Wide Web.

Determination of Crystallite Size and Lattice Strain

1998 ◽  
pp. 207-221 ◽  
Author(s):  
C. Suryanarayana ◽  
M. Grant Norton
Keyword(s):  
Crystallite Size ◽  
Lattice Strain

Determination of the Bone Mineral Crystallite Size and Lattice Strain from Diffraction Line Broadening

2002 ◽  
Vol 37 (11) ◽  
pp. 1234-1240 ◽  
Author(s):  
S. N. Danilchenko ◽  
O. G. Kukharenko ◽  
C. Moseke ◽  
I. Yu. Protsenko ◽  
L. F. Sukhodub ◽  
...  
Keyword(s):  
Crystallite Size ◽  
Bone Mineral ◽  
Lattice Strain ◽  
Diffraction Line ◽  
Line Broadening

scholarly journals Study of crystallite size and strain as a function of morphological evolution in zinc oxide powder obtained from hydroxycarbonate precursor

2001 ◽  
Vol 16 (3) ◽  
pp. 153-159 ◽  
Author(s):  
Fernando Aparecido Sigoli ◽  
Carlos de Oliveira Paiva-Santos ◽  
Miguel Jafelicci ◽  
Marian Rosaly Davolos
Keyword(s):  
Zinc Oxide ◽  
Crystallite Size ◽  
Morphological Evolution ◽  
Domain Size ◽  
Average Crystallite Size ◽  
Transmission Electron Microscopy Data ◽  
Microstructural Alterations ◽  
Transmission Electron ◽  
Zinc Oxide Powder ◽  
Microscopy Data

In this work, zinc oxide samples were obtained from hydroxycarbonate by thermal decomposition at 300 °C. Zinc hydroxycarbonate samples were produced by homogeneous precipitation over different periods of time. The method used to obtain zinc oxide produces different morphologies as a function of the precursor precipitation time. Among the obtained particle shapes were porous spherical aggregates, spherulitic needle aggregates, and single acicular particles. This work investigated spherulitic needle-aggregate formation and the correlation among morphology, domain size, and microstrain. Transmission electron microscopy data revealed that the acicular particles that form the spherulitic needle aggregates consist of nanometer crystallites. Apparent crystallite size and microstrain in the directions perpendicular to (h00), (h0l), (hk0), and (00l) planes were invariable as a function of precursor precipitation time. From the results, it was possible to conclude that the precursor precipitation period directly influenced the morphology of the zinc oxide but did not influence average crystallite size and microstrain for ZnO samples. Therefore, using this route, it was possible to prepare zinc oxide with different morphologies without microstructural alterations.

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