Enviar artigo por via de e-mail Two-level genetic algorithm for x-ray powder diffraction structure analysis
- Autores: Yakimov Y.I1
-
Afiliações:
- Siberian Federal University, Russia, Krasnoyarsk
- Edição: Volume 10, Nº 5 (2009)
- Páginas: 67-71
- Seção: Articles
- URL: https://journals.eco-vector.com/2712-8970/article/view/508580
- ID: 508580
Citar
Texto integral
Resumo
A new evolutionary approach for crystal structure determination of powders based on X-ray diffraction full-profile analysis and genetic algorithm of global optimization is suggested. An investigation of efficiency of given algorithm is carried out on test real-world problems of structure determination.
Palavras-chave
Sobre autores
Ya Yakimov
Siberian Federal University, Russia, KrasnoyarskSiberian Federal University, Russia, Krasnoyarsk
Bibliografia
- David, W. I. F. Structure determination from powder diffraction data / W. I. F. David, K. Shankland //Acta Cryst. 2008.V ol.A64. P . 52-64.
- Michalewicz, Z. GeneticAlgorithms + Data Structures = Evolution Programs / Z. Michalewicz. Berlin : Springer-V erlag, 1996.
- Implementation of Lamarckian concepts in a Genetic Algorithm for structure solution from powder diffraction data / G. W. Turner, E. Tedesco, K. D. M. Harris et al. // Chem. Phys. Lett. 2000. V ol. 321. P . 183-190.
- Bish, D. L. Quantitative phase analysis using the Rietveld method / D. L. Bish, S.A. Howard // J.Appl. Cryst. 1988.V ol.21. P . 86-91.
- Solovyov, L. A. Full-profile refinement by derivative difference minimization / L. A. Solovyov // J. Appl. Cryst. 2004.V ol. 37. P . 743-749.
- Outcomes of the International Union of Crystallography Commission on Powder Diffraction Round Robin on Quantitative PhaseAnalysis: samples 1a to 1h / I. C. Madsen, N. V .Y . Scarlett, L. M. D. Cranswick, T. Lwin // J.Appl. Cryst. 2001. V ol. 34. P . 409-426.
- Crystal Structure of trans-[Pd(NH3)2(NO2)2]: X-ray Powder DiffractionAnalysis /A. I. Blokhin, L.A. Solovyov, M. L. Blokhina et al. // Rus. J. Coord. Chem. 1996. Vol. 22. P . 185-189.
Arquivos suplementares
