skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings

Abstract

The problem of numerically evaluating absorption correction factors for cylindrical samples has been revisited using a treatment that fully takes advantage of the sample symmetry. It is shown that the path lengths for all points within the sample at all possible diffraction angles can be trivially determined once the angle-dependent distance distribution for a single line of points is calculated. This provides advantages both in computational efficiency and in gaining an intuitive understanding of the effects of absorption on the diffraction data. A matrix of absorption coefficients calculated for μRproducts between 0 and 20 for diffraction angles θDof 0–90° were used to examine the influence of (1) capillary diameter and (2) sample density on the overall scattered intensity as a function of diffraction angle, where μ is the linear absorption coefficient for the sample andRis the capillary radius. On the basis of this analysis, the optimal sample loading for a capillary experiment to maximize diffraction at angles of 0–50° is in general expected to be achieved when the maximum radius capillary compatible with the beam is used and when the sample density is adjusted to be 3/(4μR) of its original density.

Authors:
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
National Science Foundation (NSF)
OSTI Identifier:
1324787
Resource Type:
Journal Article
Journal Name:
Journal of Applied Crystallography (Online)
Additional Journal Information:
Journal Volume: 48; Journal Issue: 1; Journal ID: ISSN 1600-5767
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Khalifah, Peter. Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings. United States: N. p., 2015. Web. doi:10.1107/S1600576714026569.
Khalifah, Peter. Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings. United States. https://doi.org/10.1107/S1600576714026569
Khalifah, Peter. 2015. "Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings". United States. https://doi.org/10.1107/S1600576714026569.
@article{osti_1324787,
title = {Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings},
author = {Khalifah, Peter},
abstractNote = {The problem of numerically evaluating absorption correction factors for cylindrical samples has been revisited using a treatment that fully takes advantage of the sample symmetry. It is shown that the path lengths for all points within the sample at all possible diffraction angles can be trivially determined once the angle-dependent distance distribution for a single line of points is calculated. This provides advantages both in computational efficiency and in gaining an intuitive understanding of the effects of absorption on the diffraction data. A matrix of absorption coefficients calculated for μRproducts between 0 and 20 for diffraction angles θDof 0–90° were used to examine the influence of (1) capillary diameter and (2) sample density on the overall scattered intensity as a function of diffraction angle, where μ is the linear absorption coefficient for the sample andRis the capillary radius. On the basis of this analysis, the optimal sample loading for a capillary experiment to maximize diffraction at angles of 0–50° is in general expected to be achieved when the maximum radius capillary compatible with the beam is used and when the sample density is adjusted to be 3/(4μR) of its original density.},
doi = {10.1107/S1600576714026569},
url = {https://www.osti.gov/biblio/1324787}, journal = {Journal of Applied Crystallography (Online)},
issn = {1600-5767},
number = 1,
volume = 48,
place = {United States},
year = {Fri Jan 30 00:00:00 EST 2015},
month = {Fri Jan 30 00:00:00 EST 2015}
}

Works referenced in this record:

Absorption corrections for neutron diffraction
journal, January 1979


Absorption correction for cylindrical and annular specimens and their containers or supports
journal, July 2010


Absorption Correction for Annular Cylindrical Samples in Powder Neutron Diffraction
journal, August 1998


Absorption corrections for neutron diffraction
journal, November 1970


Collection and analysis of powder diffraction data with near-constant counting statistics
journal, June 1994


Analytical Expressions for the Transmission Factor and Peak Shift in Absorbing Cylindrical Specimens
journal, February 1998