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Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction
Lattice and electronic structure interactions for f-electrons are fundamental challenges for lanthanide equation of state development. Difficulties in first-principles calculations, such as density functional theory (DFT), emphasize the need for well-characterized experimental data. Here, we measure...
Autores principales: | , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9537147/ https://www.ncbi.nlm.nih.gov/pubmed/36202947 http://dx.doi.org/10.1038/s41598-022-21332-y |
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author | Duwal, Sakun McCoy, Chad A. Dolan III, Daniel H. Melton, Cody A. Knudson, Marcus D. Root, Seth Hacking, Richard Farfan, Bernardo Johnson, Christopher Alexander, C. Scott Seagle, Christopher T. |
author_facet | Duwal, Sakun McCoy, Chad A. Dolan III, Daniel H. Melton, Cody A. Knudson, Marcus D. Root, Seth Hacking, Richard Farfan, Bernardo Johnson, Christopher Alexander, C. Scott Seagle, Christopher T. |
author_sort | Duwal, Sakun |
collection | PubMed |
description | Lattice and electronic structure interactions for f-electrons are fundamental challenges for lanthanide equation of state development. Difficulties in first-principles calculations, such as density functional theory (DFT), emphasize the need for well-characterized experimental data. Here, we measure in-situ x-ray diffraction of shocked samarium (Sm) and temperature along the Hugoniot for the first time, providing direct evidence for phase transitions. We report direct evidence of a distorted fcc (dfcc) phase at 23 GPa. Shocked samarium melts from the dfcc phase starting at 33 GPa (1333 K), with complete melt at 40 GPa (1468 K). Previous work indicated shock melt at 27 GPa (1200 K), underscoring the significance of x-ray measurements for detecting phase transitions. Interestingly, our observed melting is in sharp contrast with the melting reported by a diamond anvil cell study. These experimental data can tightly constrain first principles calculations and serve as key touchstones for equation of state modeling. |
format | Online Article Text |
id | pubmed-9537147 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-95371472022-10-08 Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction Duwal, Sakun McCoy, Chad A. Dolan III, Daniel H. Melton, Cody A. Knudson, Marcus D. Root, Seth Hacking, Richard Farfan, Bernardo Johnson, Christopher Alexander, C. Scott Seagle, Christopher T. Sci Rep Article Lattice and electronic structure interactions for f-electrons are fundamental challenges for lanthanide equation of state development. Difficulties in first-principles calculations, such as density functional theory (DFT), emphasize the need for well-characterized experimental data. Here, we measure in-situ x-ray diffraction of shocked samarium (Sm) and temperature along the Hugoniot for the first time, providing direct evidence for phase transitions. We report direct evidence of a distorted fcc (dfcc) phase at 23 GPa. Shocked samarium melts from the dfcc phase starting at 33 GPa (1333 K), with complete melt at 40 GPa (1468 K). Previous work indicated shock melt at 27 GPa (1200 K), underscoring the significance of x-ray measurements for detecting phase transitions. Interestingly, our observed melting is in sharp contrast with the melting reported by a diamond anvil cell study. These experimental data can tightly constrain first principles calculations and serve as key touchstones for equation of state modeling. Nature Publishing Group UK 2022-10-06 /pmc/articles/PMC9537147/ /pubmed/36202947 http://dx.doi.org/10.1038/s41598-022-21332-y Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article Duwal, Sakun McCoy, Chad A. Dolan III, Daniel H. Melton, Cody A. Knudson, Marcus D. Root, Seth Hacking, Richard Farfan, Bernardo Johnson, Christopher Alexander, C. Scott Seagle, Christopher T. Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction |
title | Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction |
title_full | Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction |
title_fullStr | Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction |
title_full_unstemmed | Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction |
title_short | Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction |
title_sort | samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9537147/ https://www.ncbi.nlm.nih.gov/pubmed/36202947 http://dx.doi.org/10.1038/s41598-022-21332-y |
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