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Title: Expected values and variances of Bragg peak intensities measured in a nanocrystalline powder diffraction experiment

Journal Article · · Journal of Applied Crystallography (Online)
ORCiD logo [1];  [2]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II
  2. Columbia Univ., New York, NY (United States). Applied Physics and Applied Mathematics

A rigorous study of sampling and intensity statistics applicable for a powder diffraction experiment as a function of crystallite size is presented. Our analysis yields approximate equations for the expected value, variance and standard deviations for both the number of diffracting grains and the corresponding diffracted intensity for a given Bragg peak. The classical formalism published in 1948 by Alexander, Klug & Kummer [J. Appl. Phys.(1948),19, 742–753] appears as a special case, limited to large crystallite sizes, here. It is observed that both the Lorentz probability expression and the statistics equations used in the classical formalism are inapplicable for nanocrystalline powder samples.

Research Organization:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0012704; AC02-98CH10886
OSTI ID:
1392243
Report Number(s):
BNL-114264-2017-JA; JACGAR
Journal Information:
Journal of Applied Crystallography (Online), Vol. 50, Issue 5; ISSN 1600-5767
Publisher:
International Union of CrystallographyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 4 works
Citation information provided by
Web of Science

References (20)

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Correlating sampling and intensity statistics in nanoparticle diffraction experiments journal July 2015
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A rigorous comparison of X-ray diffraction thickness measurement techniques using silicon-on-insulator thin films journal April 2009

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