Method of evolutionary structure-sensitive quantitative X-ray phase analysis of multiphase polycrystalline materials
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A method of quantitative X-ray phase analysis (QXPA) based on multiobjective evolutionary optimization for automatization and increase in accuracy of QXPA that is based on full-profile analysis by the Rietveld method is proposed. The two-level genetic algorithm performs the probabilistic evolution of profile and structural parameters by the criterion of minimization of the profile R factor and controls their refinement by the method of full-profile difference-differential analysis (a version of the Rietveld method). The method of evolutional QXPA is discussed by an example of a test mixture of minerals that was used in Round Robin on QPA CPD IUCr.
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- Method of evolutionary structure-sensitive quantitative X-ray phase analysis of multiphase polycrystalline materials
Volume 48, Issue 14 , pp 1285-1290
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- Print ISSN
- Online ISSN
- SP MAIK Nauka/Interperiodica
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- quantitative X-ray analysis
- evolutionary optimization
- genetic algorithms
- the method of Rietveld full-profile diffraction analysis
- Industry Sectors
- Author Affiliations
- 1. Siberian Federal University, Svobodnyi pr. 79, Krasnoyarsk, 660041, Russia
- 2. Institute of Chemistry and Chemical Technologies, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660049, Russia