Simulation package for solving dynamic diffraction problems in deformed crystals. Bragg, Laue geometry, asymmetric reflections, bend crystals, dislocations, crystals with arbitrary shapes, strain distributions and time dependent problems

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Authors: J. Krzywiński, Aliaksei Halavanau
Cited by: 0

Abstract

We demonstrate the use of the Fast Fourier Transform Beam Propagation Method (FFT BPM) to simulate dynamic diffraction effects, including scattering from deformed crystals with arbitrary shapes in Bragg, Laue, and asymmetric geometries. The method's straightforward algorithm, combined with FFT, enables fast computation and is easy to implement in Python. It successfully reproduces literature results for bent crystals, dislocations, and finite-shaped crystals simulated using the Takagi-Taupin equations. Python implementations for each case are provided in a public GitHub repository, with the code structured for parallel computing.

Fields of Study & Subjects

Crystallography and Radiation Phenomena X-ray Diffraction in Crystallography Nuclear Physics and Applications

Publication details

Journal / source
arXiv (Cornell University)
Publication date
9 January 2026
Document type
Preprint