Сибирский федеральный университет

Тип публикации: статья из журнала (материалы конференций, опубликованные в журналах)

Конференция: Symposium N on European-Materials-Research-Society (EMRS); Warsaw, POLAND; Warsaw, POLAND

Год издания: 2015

Идентификатор DOI: 10.1002/crat.201400443

Ключевые слова: X-ray powder diffraction, crystal structure, genetic algorithms, Rietveld method, Algorithms, Diffraction, Population statistics, X ray powder diffraction, Convergence rates, Derivative difference minimizations, Multi population, Parallel genetic algorithms, Real coded genetic algorithm, Structure solutions, X-ray powder

Аннотация: The approach for automated crystal structure solution from X-Ray powder diffraction data based on the multi-population parallel genetic algorithm (MPGA) combined with the Rietveld-like Derivative Difference Minimization method is described. It is proven with representative examples that the MPGA convergence rate is much higher than that of the single-population GA.

Журнал: CRYSTAL RESEARCH AND TECHNOLOGY

Выпуск журнала: Vol. 50, Is. 9-10

Номера страниц: 724-728

ISSN журнала: 02321300

Место издания: WEINHEIM

Издатель: WILEY-V C H VERLAG GMBH

• Zaloga A. (Siberian Federal University)
• Yakimov I. (Siberian Federal University)
• Burakov S. (Siberian State Aerospace University)
• Semenkin E. (Siberian State Aerospace University)

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