Inorganic Materials

, Volume 48, Issue 14, pp 1285–1290

Method of evolutionary structure-sensitive quantitative X-ray phase analysis of multiphase polycrystalline materials

Authors

    • Siberian Federal University
  • A. N. Zaloga
    • Siberian Federal University
  • L. A. Solov’ev
    • Institute of Chemistry and Chemical Technologies, Siberian BranchRussian Academy of Sciences
  • Ya. I. Yakimov
    • Siberian Federal University
Article

DOI: 10.1134/S0020168512140208

Cite this article as:
Yakimov, I.S., Zaloga, A.N., Solov’ev, L.A. et al. Inorg Mater (2012) 48: 1285. doi:10.1134/S0020168512140208

Abstract

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.

Keywords

quantitative X-ray analysis evolutionary optimization genetic algorithms the method of Rietveld full-profile diffraction analysis

Copyright information

© Pleiades Publishing, Ltd. 2012