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Quantitative analysis of diffraction by liquids using a pink-spectrum X-ray source

A new approach for performing quantitative structure-factor analysis and density measurements of liquids using X-ray diffraction with a pink-spectrum X-ray source is described. The methodology corrects for the pink beam effect by performing a Taylor series expansion of the diffraction signal. The me...

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Autores principales: Singh, Saransh, Coleman, Amy L., Zhang, Shuai, Coppari, Federica, Gorman, Martin G., Smith, Raymond F., Eggert, Jon H., Briggs, Richard, Fratanduono, Dayne E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9255578/
https://www.ncbi.nlm.nih.gov/pubmed/35787571
http://dx.doi.org/10.1107/S1600577522004076
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author Singh, Saransh
Coleman, Amy L.
Zhang, Shuai
Coppari, Federica
Gorman, Martin G.
Smith, Raymond F.
Eggert, Jon H.
Briggs, Richard
Fratanduono, Dayne E.
author_facet Singh, Saransh
Coleman, Amy L.
Zhang, Shuai
Coppari, Federica
Gorman, Martin G.
Smith, Raymond F.
Eggert, Jon H.
Briggs, Richard
Fratanduono, Dayne E.
author_sort Singh, Saransh
collection PubMed
description A new approach for performing quantitative structure-factor analysis and density measurements of liquids using X-ray diffraction with a pink-spectrum X-ray source is described. The methodology corrects for the pink beam effect by performing a Taylor series expansion of the diffraction signal. The mean density, background scale factor, peak X-ray energy about which the expansion is performed, and the cutoff radius for density measurement are estimated using the derivative-free optimization scheme. The formalism is demonstrated for a simulated radial distribution function for tin. Finally, the proposed methodology is applied to experimental data on shock compressed tin recorded at the Dynamic Compression Sector at the Advanced Photon Source, with derived densities comparing favorably with other experimental results and the equations of state of tin.
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spelling pubmed-92555782022-07-14 Quantitative analysis of diffraction by liquids using a pink-spectrum X-ray source Singh, Saransh Coleman, Amy L. Zhang, Shuai Coppari, Federica Gorman, Martin G. Smith, Raymond F. Eggert, Jon H. Briggs, Richard Fratanduono, Dayne E. J Synchrotron Radiat Research Papers A new approach for performing quantitative structure-factor analysis and density measurements of liquids using X-ray diffraction with a pink-spectrum X-ray source is described. The methodology corrects for the pink beam effect by performing a Taylor series expansion of the diffraction signal. The mean density, background scale factor, peak X-ray energy about which the expansion is performed, and the cutoff radius for density measurement are estimated using the derivative-free optimization scheme. The formalism is demonstrated for a simulated radial distribution function for tin. Finally, the proposed methodology is applied to experimental data on shock compressed tin recorded at the Dynamic Compression Sector at the Advanced Photon Source, with derived densities comparing favorably with other experimental results and the equations of state of tin. International Union of Crystallography 2022-05-16 /pmc/articles/PMC9255578/ /pubmed/35787571 http://dx.doi.org/10.1107/S1600577522004076 Text en © Saransh Singh et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Singh, Saransh
Coleman, Amy L.
Zhang, Shuai
Coppari, Federica
Gorman, Martin G.
Smith, Raymond F.
Eggert, Jon H.
Briggs, Richard
Fratanduono, Dayne E.
Quantitative analysis of diffraction by liquids using a pink-spectrum X-ray source
title Quantitative analysis of diffraction by liquids using a pink-spectrum X-ray source
title_full Quantitative analysis of diffraction by liquids using a pink-spectrum X-ray source
title_fullStr Quantitative analysis of diffraction by liquids using a pink-spectrum X-ray source
title_full_unstemmed Quantitative analysis of diffraction by liquids using a pink-spectrum X-ray source
title_short Quantitative analysis of diffraction by liquids using a pink-spectrum X-ray source
title_sort quantitative analysis of diffraction by liquids using a pink-spectrum x-ray source
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9255578/
https://www.ncbi.nlm.nih.gov/pubmed/35787571
http://dx.doi.org/10.1107/S1600577522004076
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