High-order cumulants of wolfram metal in anharmonic EXAFS theory calculated using the correlated Einstein model

The anharmonic extended X-ray absorption fine structure (EXAFS) cumulants of wolfram metal (W) in expansion to the 4th order have been calculated under the influence of thermal disorder. The temperature-dependent EXAFS cumulants were calculated explicitly and simply from a theoretical model developed based on the anharmonic effective potential and classical statistical theory within the correlated Einstein model. The thermodynamic parameters of W have been considered the influence of the nearest neighbor atoms on the backscattering and absorbing atoms. The obtained numerical results of W at temperatures from 0 to 800 K fit with those obtained from the experimental EXAFS data and the anharmonic correlated Debye (ACD) model at various temperatures. These results indicate that the present theoretical model can helpfully analyze experimental EXAFS signals of W and other similar metals.

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Publication Details

Journal
Journal of Military Science and Technology
Published
2025-05-26
DOI
https://doi.org/10.54939/1859-1043.j.mst.103.2025.82-91
Primary Topic
High-pressure geophysics and materials
Type
article
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article

High-order cumulants of wolfram metal in anharmonic EXAFS theory calculated using the correlated Einstein model

Stephen Tong, Huy Thao Nguyen, The Viet Hoang Nguyen, Minh Thuy Nguyen Thi
Journal of Military Science and Technology
High-pressure geophysics and materials
article

High-order cumulants of wolfram metal in anharmonic EXAFS theory calculated using the correlated Einstein model

Stephen Tong, Huy Thao Nguyen, The Viet Hoang Nguyen, Minh Thuy Nguyen Thi
article en

Abstract

The anharmonic extended X-ray absorption fine structure (EXAFS) cumulants of wolfram metal (W) in expansion to the 4th order have been calculated under the influence of thermal disorder. The temperature-dependent EXAFS cumulants were calculated explicitly and simply from a theoretical model developed based on the anharmonic effective potential and classical statistical theory within the correlated Einstein model. The thermodynamic parameters of W have been considered the influence of the nearest neighbor atoms on the backscattering and absorbing atoms. The obtained numerical results of W at temperatures from 0 to 800 K fit with those obtained from the experimental EXAFS data and the anharmonic correlated Debye (ACD) model at various temperatures. These results indicate that the present theoretical model can helpfully analyze experimental EXAFS signals of W and other similar metals.

Journal of Military Science and TechnologyVol. 103
Hanoi Pedagogical University 2 (VN), Federal Research Center of Fundamental and Translational Medicine (RU), Thurgau University of Teacher Education (CH)
Openalex Percentile: Top 86%
High-pressure geophysics and materials
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