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Dependence on temperature and pressure of second cumulant and correlation effects during EXAFS in intermetallic alloys

The present article is aimed to investigate the second cumulants, and the thermodynamic quantities are dependent on temperature and pressure in the X-ray absorption fine structure spectrum. The expressions have been build by using the model of the non-harmonic correlation of Einstein and Debye. A si...

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Autor principal: Duc, Nguyen Ba
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8524147/
https://www.ncbi.nlm.nih.gov/pubmed/34703925
http://dx.doi.org/10.1016/j.heliyon.2021.e08157
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author Duc, Nguyen Ba
author_facet Duc, Nguyen Ba
author_sort Duc, Nguyen Ba
collection PubMed
description The present article is aimed to investigate the second cumulants, and the thermodynamic quantities are dependent on temperature and pressure in the X-ray absorption fine structure spectrum. The expressions have been build by using the model of the non-harmonic correlation of Einstein and Debye. A simple calculation was used to instead complex problems caused by the interaction of many particles in the system. The significant results of this work are the Morse potential parameters have been theoretically calculated method, determined the temperature dependence of the second cumulant, mean square displacement and correlation function for copper, tungsten, and copper-tungsten alloy of ratio 93-07 percent (W(93)Cu(07)) under pressure up to 14GPa. Calculated the second cumulant dependence on the pressure in a range from 0GPa to 14GPa and clearly analysed the difference between the second cumulant at different pressure for atoms of tungsten, copper and tungsten-copper alloy. Numerical results according to the present theory agree well with experimental data and previous views.
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spelling pubmed-85241472021-10-25 Dependence on temperature and pressure of second cumulant and correlation effects during EXAFS in intermetallic alloys Duc, Nguyen Ba Heliyon Research Article The present article is aimed to investigate the second cumulants, and the thermodynamic quantities are dependent on temperature and pressure in the X-ray absorption fine structure spectrum. The expressions have been build by using the model of the non-harmonic correlation of Einstein and Debye. A simple calculation was used to instead complex problems caused by the interaction of many particles in the system. The significant results of this work are the Morse potential parameters have been theoretically calculated method, determined the temperature dependence of the second cumulant, mean square displacement and correlation function for copper, tungsten, and copper-tungsten alloy of ratio 93-07 percent (W(93)Cu(07)) under pressure up to 14GPa. Calculated the second cumulant dependence on the pressure in a range from 0GPa to 14GPa and clearly analysed the difference between the second cumulant at different pressure for atoms of tungsten, copper and tungsten-copper alloy. Numerical results according to the present theory agree well with experimental data and previous views. Elsevier 2021-10-11 /pmc/articles/PMC8524147/ /pubmed/34703925 http://dx.doi.org/10.1016/j.heliyon.2021.e08157 Text en © 2021 The Author(s) https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Research Article
Duc, Nguyen Ba
Dependence on temperature and pressure of second cumulant and correlation effects during EXAFS in intermetallic alloys
title Dependence on temperature and pressure of second cumulant and correlation effects during EXAFS in intermetallic alloys
title_full Dependence on temperature and pressure of second cumulant and correlation effects during EXAFS in intermetallic alloys
title_fullStr Dependence on temperature and pressure of second cumulant and correlation effects during EXAFS in intermetallic alloys
title_full_unstemmed Dependence on temperature and pressure of second cumulant and correlation effects during EXAFS in intermetallic alloys
title_short Dependence on temperature and pressure of second cumulant and correlation effects during EXAFS in intermetallic alloys
title_sort dependence on temperature and pressure of second cumulant and correlation effects during exafs in intermetallic alloys
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8524147/
https://www.ncbi.nlm.nih.gov/pubmed/34703925
http://dx.doi.org/10.1016/j.heliyon.2021.e08157
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