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
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.
Teacher(s): Mgr. Lukáš Horák, Ph.D.
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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.
Last update: Mikšová Kateřina, Mgr. (09.06.2022)
Course completion requirements -

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.

Last update: Mikšová Kateřina, Mgr. (09.06.2022)
Literature -

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.

Last update: Mikšová Kateřina, Mgr. (09.06.2022)
Requirements to the exam - Czech

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

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

Last update: Mikšová Kateřina, Mgr. (09.06.2022)