On automatic determination of quasicrystal orientations by indexing of detected reflections.

IF 1.9 4区材料科学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section A: Foundations and Advances Pub Date : 2023-07-01 DOI:10.1107/S205327332300373X

Adam Morawiec

引用次数: 0

Abstract

Automatic crystal orientation determination and orientation mapping are important tools for research on polycrystalline materials. The most common methods of automatic orientation determination rely on detecting and indexing individual diffraction reflections, but these methods have not been used for orientation mapping of quasicrystalline materials. The paper describes the necessary changes to existing software designed for orientation determination of periodic crystals so that it can be applied to quasicrystals. The changes are implemented in one such program. The functioning of the modified program is illustrated by an example orientation map of an icosahedral polycrystal.

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利用探测到的反射标度自动确定准晶体取向。

晶体取向自动测定和取向映射是研究多晶材料的重要工具。最常见的自动取向确定方法依赖于检测和索引单个衍射反射，但这些方法尚未用于准晶材料的取向映射。本文描述了对现有的用于周期性晶体取向测定的软件所做的必要修改，使其能够应用于准晶体。这些变化在一个这样的程序中实现。以二十面体多晶的取向图为例说明了修改后的程序的功能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section A: Foundations and Advances CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

2.60

自引率

11.10%

发文量

419

期刊介绍： Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.