COMPUTER SIMULATION OF THE EFFECT OF COHERENT DYNAMICAL DIFFRACTION OF SYNCHROTRON RADIATION IN CRYSTALS OF ARBITRARY SHAPE AND STRUCTURE

封面

如何引用文章

全文:

开放存取 开放存取
受限制的访问 ##reader.subscriptionAccessGranted##
受限制的访问 订阅存取

详细

A new scheme for the numerical solution of Takagi–Taupin equations, which makes it possible to simulate the effect of synchrotron radiation diffraction in crystals of arbitrary structure, is described in detail. The new scheme is convenient to perform calculations for crystals of arbitrary shape. The rectangular coordinate system and the algorithm for calculating derivatives at half of step have proven their efficiency and are used, but the recurrence equations of this algorithm have been modified towards simplification. The boundary conditions are in no way related to the crystal boundaries. A computer program is developed, and two examples are considered for the cases of diffraction in the Laue and Bragg geometries, for which the analyticl solutions are known. The calculation results are in complete agreement with these solutions.

作者简介

V. Kohn

National Research Centre “Kurchatov Institute,” Moscow, 123182 Russia; Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” Russian Academy of Sciences, Moscow, 119333 Russia

编辑信件的主要联系方式.
Email: kohnvict@yandex.ru
Россия, Москва; Россия, Москва

参考

  1. Authier A. // Dynamical Theory of X-ray Diffraction. 3rd ed. Oxford University Press, 2005. 671 c.
  2. Pinsker Z.G. // Dynamical Scattering of X-Rays in Crystals. Springer-Verlag, 1978, 390 c.
  3. Вайнштейн Б.К., Фридкин В.М., Инденбом В.Л. и др. // Современная Кристаллография. В 4-х томах. М.: Наука, 1979.
  4. Kato N., Lang A.R. // Acta Cryst. 1959. V. 12. P. 787. https://doi.org/10.1107/S0365110X61001625
  5. Kato N. // Acta Cryst. 1961. V. 14. P. 627. https://doi.org/10.1107/S0365110X61001947
  6. Takagi S. // Acta Cryst. 1962. V. 15. P. 1611. https://doi.org/10.1107/S0365110X62003473
  7. Taupin D. // Acta Cryst. 1967. V. 23. P. 25. https://doi.org/10.1107/S0365110X67002063
  8. Gronkowski J. // Phys. Rep. 1991. V. 206. P. 1. https://doi.org/10.1016/0370-1573(91)90086-2
  9. Суворов Э.В., Смирнова И.А. // Успехи физ. наук. 2015. Т. 185. С. 897https://doi.org/10.3367/UFNr.0185.201509a.0897
  10. Шульпина И.Л., Суворов Э.В., Смирнова И.А. и др. // ЖТФ. 2022. Т. 92. С. 1475. https://doi.org/10.21883/JTF.2022.10.53240.23-22
  11. Kohn V.G., Smirnova I.A. // Acta Cryst. A. 2020. V. 76. P. 421. https://doi.org/10.1107/S2053273320003794
  12. Кон В.Г., Смирнова И.А. // Кристаллография. 2020. Т. 65. С. 522. https://doi.org/10.31857/S0023476120040128
  13. Authier A., Malgrange C., Tournarie M. // Acta Cryst. A. 1968. V. 24. P. 126. https://doi.org/10.1107/S0567739468000161
  14. Shabalin A.G., Yefanov O.M., Nosik V.L. et al. // Phys. Rev. B. 2017. V. 96. P. 064111. https://doi.org/10.1103/PhysRevB.96.064111
  15. Punegov V., Kolosov S. // J. Appl. Cryst. 2022. V. 55. P. 320. https://doi.org/10.1107/S1600576722001686
  16. Carlsen M., Simons H. // Acta Cryst. A. 2022. V. 78. P. 395. https://doi.org/10.1107/S2053273322004934
  17. Афанасьев А.М., Кон В.Г. // Acta Cryst. A. 1971. V. 27. P. 491. https://doi.org/10.1107/S0567739471000962
  18. Kohn V.G., Argunova T.S. // Phys. Status Solidi. B. 2022. V. 259. P. 2100651. https://doi.org/10.1002/pssb.202100651
  19. Kohn V.G., Smirnova I.A. // Phys. Status Solidi. B. 2020. V. 257. P. 1900441. https://doi.org/10.1002/pssb.201900441
  20. Кон В.Г., Смирнова И.А. // Кристаллография. 2020. Т. 65. С. 515. https://doi.org/10.31857/S0023476120040116
  21. Koн B.Г. http://xray-optics.ucoz.ru/XR/xrwp.htm
  22. Koн B.Г. http://kohnvict.ucoz.ru/jsp/3-difpar.htm
  23. Бушуев В.А., Франк А.И. // Успехи физ. наук. 1918. Т. 188. С. 1049. https://doi.org/10.3367/UFNr.2017.11.038235

补充文件

附件文件
动作
1. JATS XML
下载
2.

下载 (149KB)
索引源数据
3.

下载 (802KB)
索引源数据
4.

下载 (568KB)
索引源数据
5.

下载 (32KB)
索引源数据
6.

下载 (21KB)
索引源数据

版权所有 © В.Г. Кон, 2023

##common.cookie##