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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...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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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. |
format | Online Article Text |
id | pubmed-9255578 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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