Fitting x-ray diffraction peaks by a genetic algorithm and Monte Carlo Markov Chain procedure

Author:

Durán González David,Sánchez-Bajo Florentino

Abstract

Abstract A fitting procedure based on the use of the Genetic algorithms (GA) and the Markov Chain Monte Carlo (MCMC) bayesian technique is proposed for the modelization of the x-ray diffraction peaks by using the usual standard bell-type functions (pseudo-Voigt, Voigt, etc). The method has been tested with simulated Voigt-shaped profiles at different overlapping degrees and the results have been compared with those obtained by means of the classical Levenberg-Marquardt algorithm, showing its reliability.

Funder

Junta de Extremadura (Spain) and the European Regional Development Fund

Publisher

IOP Publishing

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