| 光谱学与光谱分析 |
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| X-ray Diffraction Quantitative Analysis with Polynomial-fit Method for Polycrystalline Materials |
| YU Quan-zhi1, SONG Lian-ke1, CHI Yan-ling2, FAN Shu-hai1，LI Guo-hua1 |
1. Laser Institute of Qufu Normal University, Qufu 273165, China
2. Physics Department of Yantai Television College, Yantai 264000, China |
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Abstract The polynomial-fit method for XRD quantitative analysis of polycrystalline materials is presented in this paper, which combines a mathematic function model with computer technology. Based on the construction of diffraction peak mathematic function model, the XRD atlases from experiments were analyzed by means of polynomial whole pattern fitting to the spectral lines using computer software, then the integral intensities of every peak and weight percentages of each phase could be obtained accurately. This paper mainly includes three parts: 1. According to the fact that the diffraction atlases of mixture are weighted superposition of the powder diffraction atlases of each component and the weight factor of each component is relevant to its volume fraction or weight percentage, the theory of polynomial whole pattern fitting is constructed and the weight factor and weight percentage can be worked out. 2. Describe the method and procedure of data acquisition and analysis. 3. Discuss the result of quantitative analysis. The polynomial-fit method not only simplifies the process of data handling, but also increases the accuracy of analytical result.
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Received: 2002-03-08
Accepted: 2003-07-23
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Corresponding Authors:
YU Quan-zhi
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| Cite this article: |
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YU Quan-zhi,SONG Lian-ke,CHI Yan-ling, et al. X-ray Diffraction Quantitative Analysis with Polynomial-fit Method for Polycrystalline Materials [J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2004, 24(02): 248-250.
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| URL: |
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http://www.gpxygpfx.com/EN/Y2004/V24/I02/248 |
[1] Klug H P, Alexander L E. Diffraction Procedures for Polycrystalline and Amorphous Materials, 2nd ed. , New York: Wiley, 1974. 532.
[2] LIU Hong-chao, GUO Chang-lin(刘红超，郭常林). Progress in Physics(物理学进展)，1996，16(2)：220.
[3] Rietveld H M. Acta Cryst., 1969, 3: 65.
[4] MA Li-dun(马礼敦). Progress in Physics(物理学进展)，1996，16(2)：251.
[5] 于全芝. X射线粉末衍射的全谱拟合法. 曲阜师范大学硕士毕业论文，2002. 4.
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