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相关概念视频

X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

3.8K
X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
3.8K
X-ray Crystallography02:18

X-ray Crystallography

23.9K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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Atomic Absorption Spectroscopy: Interference01:25

Atomic Absorption Spectroscopy: Interference

738
Interference leads to systematic error in atomic absorption (AA) measurements by enhancing or diminishing the analytical signal or the background. These interferences can be grouped into three main categories: spectral interference, chemical interference, and physical interference.
Spectral interference occurs when signals from other elements or molecules overlap with the analyte signal, falsely elevating or masking the analyte's absorbance. This interference can be corrected using Zeeman,...
738
Attenuated Total Reflectance (ATR) Infrared Spectroscopy: Overview01:13

Attenuated Total Reflectance (ATR) Infrared Spectroscopy: Overview

350
Attenuated total reflectance (ATR) infrared spectroscopy is a powerful analytical technique used to study the composition of materials. It is widely employed in chemistry, materials science, forensic science, and other fields where sample characterization is required. ATR has several advantages over traditional transmission IR spectroscopy, including the requirement of little to no sample preparation and the ability to analyze a wide range of samples.
The ATR process begins by directing a beam...
350

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相关实验视频

Updated: Jun 24, 2025

Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples
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Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples

Published on: June 19, 2018

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在反射几何学中的X射线衍射吸收效应的通用模拟.

Johannes Dallmann1, Jonas Graetz1, Rainer Hock1

  • 1Institute for Crystallography and Structural Physics, Friedrich-Alexander-Universität, Erlangen-Nürnberg, Germany.

Acta crystallographica. Section A, Foundations and advances
|June 7, 2024
PubMed
概括

这项研究引入了一种射线追踪算法,用于准确的X射线粉末衍射吸收校正. 该方法模拟复杂的样本,改善对非理想材料的数据分析.

科学领域:

  • 材料科学 材料科学 材料科学
  • 晶体学 晶体学是指结晶学.
  • 计算物理 计算物理

背景情况:

  • 射线粉碎衍射 (XPD) 实验需要精确的吸收校正,特别是对于非理想样品.
  • 复杂的样本特征,如表面粗度,多孔度和多相组成,需要复杂的数学模型.
  • 现有的模型很难准确地表示材料的空间分布及其对X射线吸收的影响.

研究的目的:

  • 开发一种可行的计算方法来模拟X射线粉末衍射中的角度依赖吸收校正.
  • 创建一个多功能射线追踪算法,能够处理各种样本复杂性,包括表面粗度,多孔度和多相系统.
  • 提供详细的算法框架,并根据实验数据验证其性能.

主要方法:

  • 使用voxel网格来表示样品几何和材料属性的光线追踪算法的制定.
  • 实施了修改后的剪转曲线算法来追踪X射线路径并计算衰减.
  • 单相和多相系统的建模与任意的表面粗度和孔隙分布.

主要成果:

  • 成功模拟了对拉斯特化样本模型的取决于角度的吸收校正.
  • 演示算法模拟复杂样本特征的能力,包括表面调制和相位分布.
  • 对模拟结果与非理想样本的已公布实验数据的验证.
关键词:
吸收纠正 吸收纠正微观结构的微观结构粉末衍射衍射的方法射线追踪 (ray-tracing) 是一种可以追踪光线的方法.表面的粗度 表面的粗度

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Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples
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结论:

  • 开发的射线追踪算法为X射线粉末衍射中的吸收校正提供了强大的和可适应的解决方案.
  • 这种计算方法提高了对具有挑战性的,非理想样本类型的衍射数据分析的准确性.
  • 该方法为研究人员研究具有复杂微观结构的材料提供了宝贵的工具.