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Rietveld Refinement
Practical Powder Diffraction Pattern Analysis using TOPAS
Sofort lieferbar | Lieferzeit: Sofort lieferbar I
ISBN-13:
9783110461404
Veröffentl:
2018
Seiten:
347
Autor:
Robert E. Dinnebier
Serie:
De Gruyter STEM De Gruyter Textbook
eBook Typ:
EPUB
eBook Format:
EPUB
Kopierschutz:
0 - No protection
Sprache:
Englisch
Beschreibung:
Almost 50 years have passed since the famous papers of Hugo Rietveld from the late sixties where he describes a method for the refinement of crystal structures from neutron powder diffraction data. Soon after, the potential of the method for laboratory X-ray powder diffraction was discovered. Although the method is now widely accepted, there are still many pitfalls in the theoretical understanding and in practical daily use.
- Basics of powder diffraction- The Rietveld formula- Whole Powder Pattern Fitting (Pawley, LeBail, Rietveld)- Concept of Convolution- Deriving the instrumental resolution function- Global versus local optimization- Structure determination- Fourier analysis- Isotropic and anisotropic microstructural properties- Rigid bodies, constraints, restraints- Sequential versus parametric Rietveld refinement- Symmetry and rotational modes- Modelling stacking faults- Quantitative phase analysis- Determination of amorphous content- Agreement factors- Macro programming
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