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Simulation of reciprocal-space mapping using a new analytical solution of kinematical X-ray diffraction in a crystal. | LitMetric

Simulation of reciprocal-space mapping using a new analytical solution of kinematical X-ray diffraction in a crystal.

Acta Crystallogr A Found Adv

Institute of Physics and Mathematics, Federal Research Center `Komi Scientific Center, the Ural Branch of the Russian Academy of Sciences', Kommunisticheskaya st. 24, Syktyvkar, 167982, Russian Federation.

Published: January 2025

AI Article Synopsis

  • New analytical solutions have been developed to describe how a limited X-ray beam interacts with a thin crystal, specifically aimed at addressing diffraction.
  • This new method streamlines the calculation of reflected X-ray beam angles, making it far less computationally expensive than traditional numerical approaches.
  • The study involved simulating X-ray reciprocal-space mapping for a thin silicon crystal using both the new analytical solutions and established numerical methods, like 2D recurrence relations and Takagi-Taupin equations.

Article Abstract

In the kinematical approximation, new analytical solutions are obtained that describe the diffraction of a restricted X-ray beam from a thin crystal. Calculation of the angular distribution of reflected X-ray beams within the framework of the developed approach significantly reduces the computational cost compared with numerical methods. For a thin silicon crystal, X-ray reciprocal-space mapping was simulated using analytical solutions, as well as calculated using numerical methods based on 2D recurrence relations and the Takagi-Taupin equations.

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Source
http://dx.doi.org/10.1107/S2053273324011422DOI Listing

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