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金属间合金中扩展X射线吸收精细结构(EXAFS)过程中二阶累积量和关联效应与温度和压力的相关性。

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

作者信息

Duc Nguyen Ba

机构信息

Faculty of Physics, Tan Trao University, Tuyen Quang, Viet Nam.

出版信息

Heliyon. 2021 Oct 11;7(10):e08157. doi: 10.1016/j.heliyon.2021.e08157. eCollection 2021 Oct.

Abstract

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 (WCu) 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.

摘要

本文旨在研究二阶累积量,且热力学量在X射线吸收精细结构谱中取决于温度和压力。这些表达式是通过使用爱因斯坦和德拜的非简谐关联模型构建的。采用简单计算来替代由系统中许多粒子相互作用引起的复杂问题。这项工作的重要成果是通过理论计算方法得到了莫尔斯势参数,确定了在高达14GPa压力下铜、钨以及93 - 07%(WCu)的铜钨合金的二阶累积量、均方位移和关联函数的温度依赖性。计算了二阶累积量在0GPa至14GPa范围内对压力的依赖性,并清晰地分析了钨、铜和铜钨合金原子在不同压力下二阶累积量之间的差异。根据本理论得到的数值结果与实验数据和先前观点吻合良好。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9b7/8524147/d8c76891bd49/gr1.jpg

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