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Simulation and fitting of X-ray scattering experiments using matrix-based language

Class at Faculty of Mathematics and Physics |
NFPL019

Syllabus

Data importing and data handling in MATLAB

- reading data from text, csv files, XRDML, RAS, HDF5, SPEC, IMG file formats

- effective organization of data in memory

- exporting of simulation data

Implementing physical models in MATLAB environment

- simple model of line-profile for powder diffractograms

- calculation of specular XRR reflectivity

- implementation of mosaic crystal model for high-resolution diffraction on epitaxial layers

- simulation of low-resolution wide reciprocal space maps, calculation of diffraction spots from the crystal orientation

Using MATLAB optimization routines

- least square method, simplex method, genetic algorithm, simulated annealing, enhanced non-linear optimization routines

- implementing of user defined Fitness function for different optimization routines

Annotation

Brief theoretical description of selected x-ray scattering experiments, implementing relevant physical models in

MATLAB environment. Structure and format of collected experimental data, data importing and data handling in

MATLAB. Common optimization routines in MATLAB used for data refinement. X-ray reflectivity, low-res wide / hi- res reciprocal-space mapping, powder diffraction.