Method of evolutionary structure-sensitive quantitative X-ray phase analysis of multiphase polycrystalline materials
Purchase on Springer.com
$39.95 / €34.95 / £29.95*
Rent the article at a discountRent now
* Final gross prices may vary according to local VAT.
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.
- Rietveld, H.M., The Rietveld Method—a Historical Perspective, Aust. J. Phys., 1988, vol. 41, no. 2, pp. 133–116.
- Bish, D.L. and Howard, S.A., Quantitative Phase Analysis Using the Rietveld Method, J. Appl. Crystallogr., 1988, vol. 21, no. 2, pp. 86–91. CrossRef
- Altomare, A., Burla, M.C., Giacovazzo, C., et al., Quanto: a Rietveld Program for Quantitative Phase Analysis of Polycrystalline Mixtures, J. Appl. Crystallogr., 2001, vol. 34, no. 3, pp. 392–397. CrossRef
- Will, G. Powder Diffraction. The Rietveld Method and the Two Stage Method to Determine and Refine Crystal Structures from Powder Diffraction Data, New York: Springer, 2005.
- Le Bail, A., The Profile of a Bragg Reflection for Extracting Intensities. Powder Diffraction Theory and Practice, Dinnebier, R.E. and Billinge, S.J.L., Eds., Cambridge: Royal Society of Chemistry, 2008.
- Inorganic Crystal Structure Database. http://www.fizkarlsruhe.de/ised.html
- Scarlett, N.V.Y., Madsen, I.C., Cranswick, L.M.D., et al., Round Robin on Quantitative Phase Analysis: Samples 2, J. Appl. Crystallogr., 2002, vol. 35, no. 4, pp. 383–400. CrossRef
- Gladkov, L.A. and Kureichik, V.V., Bioinspirirovannye metody v optimizatsii (Bioinspired Methods in Optimization), Moscow: Fizmatlit, 2009.
- Harris, K.D.M., Zhou, Z., and Pan, Z., Advances in Genetic Algorithms for Direct-Space Structure Solution, CPD IUCr Newsletter, 2007, vol. 35, p. 31.
- Michalewicz, Z., Genetic Algorithms + Data Structures = Evolution Programs, Berlin: Springer-Verlag, 1996.
- Yakimov, Y.I., Semenkin, E.S., and Yakimov, I.S., Twolevel Genetic Algorithm for a fFllprofile Fitting of X-ray Powder Patterns, Z. Kristallogr., 2009, vol. 30, no. Suppl., pp. 21–26.
- Solovyov, L.A., The Derivative Difference Minimization Method. Powder Diffraction Theory and Practice, Dinnebier, R.E., and Billinge, S.J.L., Eds., Cambridge: Royal Society of Chemistry, 2008.
- Yakimov, I.S., The System of X-Ray Phase Identification of Significantly Multiphase Materials, Zavod. Lab., 2007, vol. 73, no. 11, pp. 32–37.
- Powder Diffraction File. http://www.icdd.com/products/pdf2.htm
- Dollase, W.A., Correction of Intensities for Preferred Orientation in Powder Diffractometry. Application of the March Model, J. Appl. Crystallogr., 1986, vol. 19, no. 4, pp. 267–272. CrossRef
- Method of evolutionary structure-sensitive quantitative X-ray phase analysis of multiphase polycrystalline materials
Volume 48, Issue 14 , pp 1285-1290
- Cover Date
- Print ISSN
- Online ISSN
- SP MAIK Nauka/Interperiodica
- Additional Links
- 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