Method of evolutionary structure-sensitive quantitative X-ray phase analysis of multiphase polycrystalline materials
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- Yakimov, I.S., Zaloga, A.N., Solov’ev, L.A. et al. Inorg Mater (2012) 48: 1285. doi:10.1134/S0020168512140208
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.