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ElectronDiffraction tools, A DigitalMicrograph package for electron diffraction analysis
Computer Physics Communications ( IF 7.2 ) Pub Date : 2019-10-01 , DOI: 10.1016/j.cpc.2019.04.012
Honglong Shi , Minting Luo , Wenzhong Wang

Abstract Microstructure analysis based on the electron diffraction patterns (ED or SAED) or high-resolution transmission electron microscopy images (HRTEM) has become a major technique for the local structural characterization of materials. Three traditional methods of electron diffraction analysis are pattern indexing, phase identification, and unit cell determination. But for the lack of analysis tools, most of the people usually manually measure the diffraction spots to index the diffraction pattern or measure a few lattice planes (fringes in HRTEM or diffraction rings) to perform phase analysis. For the need of the daily-used diffraction analysis, we present a new processing & analysis package for electron diffraction pattern, ElectronDiffraction tools. The program was written as a package of DigitalMicrograph, a very popular software to record and analyze the data of transmission electron microscopes (TEM). Autocorrelation and digital filter method were implanted in it to yield a high-quality Fourier transform diffractogram from an HRTEM image, Gaussian filter and Gaussian fitting were applied to locate diffraction spots with sub-pixel accuracy. It can automatically measure diffraction spots to index the spotty-like diffraction pattern of the known crystal; intensity profile or surface plot extracted from a diffraction pattern can be used to carry out phase analysis just like ‘Search-Match’ in XRD, and the extracted d-spacing table can be used to determine the unit cell of the unknown crystal. Program summary Program Title: ElectronDiffraction tools Program Files doi: http://dx.doi.org/10.17632/mfw96cbgp4.1 Licensing provisions: GNU Public License GPLv3 Programming language: DigitalMicrograph scripting language Nature of problem: It is a time-consuming procedure with a large analysis error for the traditional TEM analysis based on the SAED pattern or HRTEM images. Solution method: Gaussian filtering and Gaussian fitting are implemented in ElectronDiffraction tools to automatically measure diffraction spots for the pattern indexing and the extraction of the d-spacing table. The azimuthal rotation-average projection is applied to extract the intensity profile, linear image and its surface plot for the phase analysis. Moreover, an accurate d-spacing table derived from spots extension can be used to determine the unit cell of the unknown crystal. Additional comments: The program can also be obtained from https://github.com/hlshi527214/ElectronDiffraction-tools/tree/master/Installer%20files

中文翻译:

电子衍射工具,用于电子衍射分析的 DigitalMicrograph 包

摘要 基于电子衍射图(ED 或 SAED)或高分辨率透射电子显微镜图像(HRTEM)的微观结构分析已成为材料局部结构表征的主要技术。三种传统的电子衍射分析方法是图案索引、相识别和晶胞测定。但由于缺乏分析工具,大多数人通常手动测量衍射点以索引衍射图案或测量几个晶面(HRTEM或衍射环中的条纹)进行相位分析。针对日常衍射分析的需要,我们推出了新的电子衍射图处理分析包,电子衍射工具。该程序是作为 DigitalMicrograph 的一个包编写的,一种非常流行的软件,用于记录和分析透射电子显微镜 (TEM) 的数据。将自相关和数字滤波方法植入其中,从 HRTEM 图像中产生高质量的傅立叶变换衍射图,应用高斯滤波器和高斯拟合以亚像素精度定位衍射点。可自动测量衍射斑,对已知晶体的点状衍射花样进行索引;从衍射图谱中提取的强度分布或表面图可用于进行物相分析,就像 XRD 中的“搜索匹配”一样,提取的 d 间距表可用于确定未知晶体的晶胞。程序摘要程序名称:电子衍射工具程序文件 doi:http://dx.doi.org/10.17632/mfw96cbgp4.1 许可条款:GNU Public License GPLv3 编程语言:DigitalMicrograph脚本语言 问题性质:传统的基于SAED模式或HRTEM图像的TEM分析是一个耗时的过程,分析误差大。解决方法:在ElectronDiffraction工具中实现高斯滤波和高斯拟合,自动测量衍射点,用于图案索引和d-spacing表的提取。方位角平均旋转投影用于提取强度剖面、线性图像及其表面图以进行相位分析。此外,从点扩展导出的精确 d 间距表可用于确定未知晶体的晶胞。补充说明:程序也可以从https://github获取。
更新日期:2019-10-01
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