粉末衍射
脚本语言
衍射
卷积(计算机科学)
布拉格定律
光学
傅里叶变换
系列(地层学)
分布(数学)
空格(标点符号)
材料科学
X射线晶体学
结晶学
物理
计算物理学
计算机科学
数学
数学分析
化学
地质学
机器学习
古生物学
操作系统
人工神经网络
作者
Robert E. Dinnebier,Paolo Scardi
标识
DOI:10.1107/s1600576721009183
摘要
A collection of scholarly scripts dealing with the mathematics and physics of peak profile functions in X-ray powder diffraction has been written using the Wolfram language in Mathematica . Common distribution functions, the concept of convolution in real and Fourier space, instrumental aberrations, and microstructural effects are visualized in an interactive manner and explained in detail. This paper is the first part of a series dealing with the mathematical description of powder diffraction patterns for teaching and education purposes.
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