Simulation of X-Ray Powder Diffraction Patterns for One-Dimensionally Disordered Crystals

S.V. Cherepanova; S.V. Tsybulya

doi:10.4028/www.scientific.net/MSF.443-444.87

Paper Titles

X-Ray Scattering from Thin Films and Multilayers
p.65

The Microstructure of Nanocrystalline Powders from Line Profile Analysis
p.71

Elastic Behaviour of Thin Stabilized-Zirconia Coatings
p.77

Characterization of Crystalline Silicon via XRPD
p.83

Simulation of X-Ray Powder Diffraction Patterns for One-Dimensionally Disordered Crystals
p.87

Reconstruction of Stress and Composition Profiles from X-Ray Diffraction Experiments — How to Avoid Ghost Stresses?
p.91

Contrast Factors and Character of Dislocations in Cubic and Hexagonal Crystals
p.95

Computer Simulation for X-Ray Analysis of Nanostructured Cu Processed by Severe Plastic Deformation
p.99

The Microstructure of Mechanically Alloyed Nanocrystalline Aluminium-Magnesium
p.103

HomeMaterials Science ForumMaterials Science Forum Vols. 443-444Simulation of X-Ray Powder Diffraction Patterns...

Simulation of X-Ray Powder Diffraction Patterns for One-Dimensionally Disordered Crystals

Abstract:

Software for the simulation of X-ray powder diffraction (XRPD) patterns for ultrafine-grained materials with some kinds of imperfections has been developed. These calculations are performed on the base of the model of one-dimensionally disordered (1D-disordered) crystal [1]. Such a model can describe stacking faults (SF) and other planar defects (PD) and also finite size of coherently scattering domains. Simulated XRPD pattern is compared with experimental one and can be fitted to it. Potentialities of the software are illustrated by several examples.

You might also be interested in these eBooks

$European Powder Diffraction EPDIC 8$ View Preview

Info:

Periodical:

Materials Science Forum (Volumes 443-444)

Pages:

87-90

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.443-444.87

Citation:

Cite this paper

Online since:

January 2004

Authors:

S.V. Cherepanova, S.V. Tsybulya

Keywords:

Defect, Simulation, X-Ray Powder Diffraction

Export:

RIS, BibTeX

Price:

Permissions:

Request Permissions

References

[1] V.A. Drits and C. Tchoubar: X-ray Diffraction by Disordered Lamellar Structures (Springer Verlag, Berlin, Heidelberg 1990).

DOI: 10.1007/978-3-642-74802-8

Google Scholar

[2] J.A. Nelder and R. Mead: Comput. J. Vol. 7 (1965), p.308.

Google Scholar

[3] S.V. Cherepanova: PhD. Thesis (Boreskov Institute of Catalysis, Novosibirsk 2000)(in Russian).

Google Scholar

[4] J. Kakinoki and Y. Komura: J. Phys. Soc. Japan Vol. 7 (1952), p.30.

Google Scholar

[5] G.W. Brindley and J. Méring: Acta Cryst. Vol. 4 (1951), p.441.

Google Scholar

[6] F. Rousseaux and D. Tchoubar: J. Appl. Cryst. Vol. 81 (1975), p.365.

Google Scholar

[7] A.A. Khasin, T.M. Yurieva et al.: Kinetika i Kataliz Vol. 39 (1998), p.431 (in Russian) Fig. 8. XRPD patterns simulated for the cubic matrix with inclusions of the a) microtwins (×); b) hexagonal microdomains (×) and experimental one (solid).

Google Scholar