晶体微系统 X 射线衍射的快速数值计算

IF 0.6 4区材料科学 Q4 CRYSTALLOGRAPHY

Crystallography Reports Pub Date : 2024-09-27 DOI:10.1134/S1063774524601345

V. I. Punegov, D. M. Malkov

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引用次数: 0

摘要

在运动学近似中，开发出了一种对薄晶体微系统的 X 射线衍射进行快速数值计算的方法。使用这种方法计算倒数空间图的速度比基于高木-陶平方程或二维递推关系的计算速度高三到四个数量级。在获得的解决方案框架内，对三种微系统晶体芯片模型的 X 射线倒易空间映射进行了数值模拟。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

$Fast Numerical Calculation of X-Ray Diffraction from Crystal Microsystems$

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Fast Numerical Calculation of X-Ray Diffraction from Crystal Microsystems

In the kinematical approximation, a method for rapid numerical calculation of X-ray diffraction from thin crystalline microsystems has been developed. The speed of calculating of reciprocal space maps using this approach is three to four orders of magnitude higher than calculations based on the Takagi–Taupin equations or two-dimensional recurrence relations. Within the framework of the obtained solutions, numerical simulation of X-ray reciprocal space mapping was performed for three models of crystal chips of microsystems.

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来源期刊

Crystallography Reports 化学-晶体学

CiteScore

1.10

自引率

28.60%

发文量

审稿时长

4-8 weeks

期刊介绍： Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.