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Applications of Neutron Powder Diffraction$
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Erich H. Kisi and Christopher J. Howard

Print publication date: 2008

Print ISBN-13: 9780198515944

Published to Oxford Scholarship Online: January 2009

DOI: 10.1093/acprof:oso/9780198515944.001.0001

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Microstructural data from powder patterns

Microstructural data from powder patterns

(p.308) 9 Microstructural data from powder patterns
Applications of Neutron Powder Diffraction

Erich H. Kisi

Christopher J. Howard

Oxford University Press

This chapter describes how diffraction peaks can be broadened, and sometimes their intensities altered, by microstructural effects. Much of the theory was developed for X-rays, but is also applicable in the neutron case. Peaks are broadened due to small crystallite size, or the presence of microstrains, or both. The analysis may involve deconvolution, individual peak fitting, whole pattern fitting, and the Scherrer equation. Methods for handling anisotropic broadening are presented. The Williamson-Hall plot is shown to be useful when size and strain broadening both are present. The effects on peak shapes of chemical and physical gradients are considered in detail: strain gradients for example lead to domain wall scattering. The theory of broadening due to dislocations is presented, and illustrated by application to LaNi5. The effects of planar defects, such as stacking faults and twin boundaries, are also considered. Finally, the effect on intensities of texture (preferred orientation) is discussed.

Keywords:   peak broadening, size broadening, Scherrer equation, deconvolution, whole pattern fitting, microstrains, Williamson-Hall plot, chemical and physical gradients, dislocation broadening, planar defect

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