dynamic-diffraction-module 0.1.0

A python based framework for dynamic diffraction calculations of crystals.

Dynamic Diffraction Module

A repository meant for (python based) functions on the dynamic diffraction theory. It is closely related to the Matlab written https://gitlab.desy.de/patrick.rauer/MatlabDiffractionStuff. The structure, however, is based on the Dynamic Diffraction submodule of the pXCP framework.

• Documentation: https://patrick.rauer.gitlab.desy.io/dynamic-diffraction-module
• GitLab: https://gitlab.desy.de/patrick.rauer/dynamic-diffraction-module
• PyPI: https://pypi.org/project/dynamic-diffraction-module/

Features

Currently, the scope of the package is rather rudimentary. It includes:

• computing the (modified) Bragg energy for any given plane H for a specific micro- and macroscopic crystal orientation
• computing the (approximative) energy width for any given plane H for a specific micro- and macroscopic crystal orientation in the two beam approximation
• Selecting the number of reflecting planes in the vicinity of a given photon energy + crystal orientation configuration
• computing reflectivity/transmissivity vs energy for a specified crystal plane H0 can be computed in the two beam approximation
• Rocking curve scans in the two beam approximation

However, further functionality is to follow soon:

• n-beam diffraction
• diffraction at strained crystals
• ...

External packages

• numpy (required)
• xraylib (prospectively optional,currently required)
• matplotlib
• pandas

Usage

There is no documentation for the API yet. However, you can find some tutorial *.ipynb scripts in the playgrounds folder on gitlab.

LICENSE

• Free software: GNU GENERAL PUBLIC LICENSE Version 3

Credits

This package was created with Cookiecutter and the waynerv/cookiecutter-pypackage project template.