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Simulation and fitting of X-ray scattering experiments using matrix-based language - NFPL019

Title:	Simulation and fitting of X-ray scattering experiments using matrix-based language
Guaranteed by:	Department of Condensed Matter Physics (32-KFKL)
Faculty:	Faculty of Mathematics and Physics
Actual:	from 2022
Semester:	both
E-Credits:	3
Hours per week, examination:	2/0, Ex [HT]
Capacity:	unlimited
Min. number of students:	unlimited
4EU+:	no
Virtual mobility / capacity:	no
State of the course:	taught
Language:	English
Teaching methods:	full-time
Teaching methods:	full-time
Additional information:	http://krystal.karlov.mff.cuni.cz/FPL019
Note:	you can enroll for the course in winter and in summer semester

Guarantor:	Mgr. Lukáš Horák, Ph.D.

Opinion survey results Examination dates WS schedule SS schedule Noticeboard

Annotation -

Last update: Mgr. Kateřina Mikšová (09.06.2022)

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.

Course completion requirements -

Last update: Mgr. Kateřina Mikšová (09.06.2022)

Mastery of a course is confirmed by an exam. To pass the exam, the student has to solve easy problem (30-45 min) of importing experimental data, their visualization and fitting by a simple model in MATLAB.

Literature -

Last update: Mgr. Kateřina Mikšová (09.06.2022)

V. Valvoda, M. Polcarová, P. Lukáč : Základy strukturní analýzy. Karolinum. Praha 1992

V. Holý, U. Pietsch, T. Baumbach : High-Resolution X-ray Scattering from Thin Films and Multilayers. Springer Verlag. Berlin Heidelberg 1999

MathWorks, MATLAB Documentation for version R2022a. [Online] 2022. https://www.mathworks.com/help/

William H. Press .et al : Numerical Recipes in C : the Art of Scientific Computing. Cambridge [Cambridgeshire] ; New York :Cambridge University Press, 1992.

Requirements to the exam - Czech

Last update: doc. RNDr. Stanislav Daniš, Ph.D. (10.10.2017)

Předmět je zakončen formou ústní zkoušky. Požadavky k ústní zkoušce odpovídají sylabu předmětu v rozsahu, jakým byl odpřednášen.

Syllabus -

Last update: Mgr. Kateřina Mikšová (09.06.2022)

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