X-ray multiple-beam (n-baem) dynamical diffraction theories, numerical methods to solve them and experimental verification by using the synchrotron X-rays
Abstract
Behavior of X-rays diffracted in a perfect or quasi-perfect crystal can be described by the dynamical theory of X-ray diffraction. Study on the two-beam cases in which only transmitted and one reflected X-ray beams are strong has a history of one hundred years. However, the population of researchers who study on the multiple-beam cases (n-beam cases) in which more than two beams are simultaneously strong is small. The present author has derived the Takagi-Taupin (T-T) dynamical theory that can be applied to the n-beam cases, coded the computer programs to solve it and experimentally verified them by using the synchrotron X-rays. The equivalence between the Ewald-Laue (E-L) and the T-T dynamical theories described by the Fourier transform also for the n-beam cases is explicitly verified in the present paper. Further, the methods of the computer simulations and the experiments are also described. Furthermore, a hypothesis concerning the too large values of R-factor in protein crystallography is also described. This might be extremely important in protein crystallography in the future.
- Publication:
-
arXiv e-prints
- Pub Date:
- September 2024
- DOI:
- 10.48550/arXiv.2409.17211
- arXiv:
- arXiv:2409.17211
- Bibcode:
- 2024arXiv240917211O
- Keywords:
-
- Quantitative Biology - Biomolecules;
- Mathematical Physics;
- Physics - Computational Physics;
- Physics - Medical Physics;
- 34L20 (Primary) 65L15;
- 42A38;
- 65T50 (Secondary);
- I.6.1
- E-Print:
- 35 pages, 20 figures. The present manuscript has been translated by the author for submission to arXiv from a review article published in Journal of the Japanese Society for Synchrotron Radiation Research (2020) 33 61-80 [in Japanese]