• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

教育中的X射线粉末衍射。第二部分。粉末图谱的强度。

X-ray powder diffraction in education. Part II. Intensity of a powder pattern.

作者信息

Dinnebier Robert, Scardi Paolo

机构信息

Max Planck Institute for Solid State Research, Heisenbergstrasse 1, Stuttgart, 70569, Germany.

Department of Civil, Environmental and Mechanical Engineering, University of Trento, via Mesiano 77, Trento, 38123, Italy.

出版信息

J Appl Crystallogr. 2023 May 9;56(Pt 3):834-853. doi: 10.1107/S1600576723002121. eCollection 2023 Jun 1.

DOI:10.1107/S1600576723002121
PMID:37284255
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10241061/
Abstract

This article is the second part of a series dealing with the description and visualization of mathematical functions used to describe a powder diffraction pattern for teaching and education purposes. The first part dealt with the instrumental and sample contributions to the profile of a Bragg peak [Dinnebier & Scardi (2021 ▸). , 1811-1831]. The second part, here, deals with the mathematics and physics of the intensity in X-ray powder diffraction. Scholarly scripts are again provided using the Wolfram language in .

摘要

本文是一个系列文章的第二部分，该系列文章旨在描述和可视化用于教学目的的粉末衍射图谱的数学函数。第一部分讨论了仪器和样品对布拉格峰轮廓的贡献[迪内比尔和斯卡迪（2021▸）。 ，1811 - 1831]。这里的第二部分讨论X射线粉末衍射中强度的数学和物理原理。同样在 中使用Wolfram语言提供学术脚本。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/7704e53f9d11/j-56-00834-fig26.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/a8322fb4672c/j-56-00834-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/d7e375763d6b/j-56-00834-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/db68f04251ad/j-56-00834-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/90124c0e9041/j-56-00834-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/59576154333a/j-56-00834-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/6d7ba635f190/j-56-00834-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/1c49242a25cf/j-56-00834-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/fede7996128b/j-56-00834-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/5f45b06646a1/j-56-00834-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/a9ff7340886f/j-56-00834-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/edc4c8dba7a9/j-56-00834-fig11.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/e769bca3ade6/j-56-00834-fig12.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/47b27ded493a/j-56-00834-fig13.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/3e392fd98925/j-56-00834-fig14.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/a546c8b6ef45/j-56-00834-fig15.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/ed0476cda583/j-56-00834-fig16.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/c80bbd4ce777/j-56-00834-fig17.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/f0b2741ab366/j-56-00834-fig18.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/8df627184463/j-56-00834-fig19.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/fdbfde2fe5ac/j-56-00834-fig20.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/1e4379a47e0a/j-56-00834-fig21.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/3fcad4c77bee/j-56-00834-fig22.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/892d22146ff1/j-56-00834-fig23.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/e69d9a0e9e54/j-56-00834-fig24.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/0b7a46deabf3/j-56-00834-fig25.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/7704e53f9d11/j-56-00834-fig26.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/a8322fb4672c/j-56-00834-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/d7e375763d6b/j-56-00834-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/db68f04251ad/j-56-00834-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/90124c0e9041/j-56-00834-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/59576154333a/j-56-00834-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/6d7ba635f190/j-56-00834-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/1c49242a25cf/j-56-00834-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/fede7996128b/j-56-00834-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/5f45b06646a1/j-56-00834-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/a9ff7340886f/j-56-00834-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/edc4c8dba7a9/j-56-00834-fig11.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/e769bca3ade6/j-56-00834-fig12.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/47b27ded493a/j-56-00834-fig13.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/3e392fd98925/j-56-00834-fig14.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/a546c8b6ef45/j-56-00834-fig15.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/ed0476cda583/j-56-00834-fig16.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/c80bbd4ce777/j-56-00834-fig17.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/f0b2741ab366/j-56-00834-fig18.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/8df627184463/j-56-00834-fig19.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/fdbfde2fe5ac/j-56-00834-fig20.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/1e4379a47e0a/j-56-00834-fig21.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/3fcad4c77bee/j-56-00834-fig22.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/892d22146ff1/j-56-00834-fig23.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/e69d9a0e9e54/j-56-00834-fig24.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/0b7a46deabf3/j-56-00834-fig25.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ce3d/10241061/7704e53f9d11/j-56-00834-fig26.jpg

相似文献

1
X-ray powder diffraction in education. Part II. Intensity of a powder pattern.教育中的X射线粉末衍射。第二部分。粉末图谱的强度。
J Appl Crystallogr. 2023 May 9;56(Pt 3):834-853. doi: 10.1107/S1600576723002121. eCollection 2023 Jun 1.
2
X-ray powder diffraction in education. Part I. Bragg peak profiles.教育中的X射线粉末衍射。第一部分。布拉格峰轮廓。
J Appl Crystallogr. 2021 Oct 27;54(Pt 6):1811-1831. doi: 10.1107/S1600576721009183. eCollection 2021 Dec 1.
3
Powder diffraction from a continuous microjet of submicrometer protein crystals.来自亚微米级蛋白质晶体连续微射流的粉末衍射。
J Synchrotron Radiat. 2008 Nov;15(Pt 6):593-9. doi: 10.1107/S0909049508024151. Epub 2008 Oct 3.
4
A new theory for X-ray diffraction.一种关于X射线衍射的新理论。
Acta Crystallogr A Found Adv. 2014 May;70(Pt 3):257-82. doi: 10.1107/S205327331400117X. Epub 2014 Mar 27.
5
Comments on A new theory for X-ray diffraction.关于X射线衍射的一种新理论的评论
Acta Crystallogr A Found Adv. 2018 Sep 1;74(Pt 5):447-456. doi: 10.1107/S2053273318003959. Epub 2018 Jul 18.
6
Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of ()-trichlorme-thia-zide.（）-三氯噻嗪的X射线粉末衍射数据晶体结构、DFT-D计算、 Hirshfeld表面分析和能量框架
Acta Crystallogr E Crystallogr Commun. 2022 Jan 7;78(Pt 2):140-148. doi: 10.1107/S2056989021013633. eCollection 2022 Jan 1.
7
Response to Fraser & Wark's comments on A new theory for X-ray diffraction.对弗雷泽和沃克关于“X射线衍射新理论”评论的回应。
Acta Crystallogr A Found Adv. 2018 Sep 1;74(Pt 5):457-465. doi: 10.1107/S2053273318007489. Epub 2018 Jul 18.
8
Multipole electron densities and structural parameters from synchrotron powder X-ray diffraction data obtained with a MYTHEN detector system (OHGI).使用MYTHEN探测器系统（OHGI）获得的同步辐射粉末X射线衍射数据的多极电子密度和结构参数。
Acta Crystallogr A Found Adv. 2021 Mar 1;77(Pt 2):85-95. doi: 10.1107/S2053273320016605. Epub 2021 Jan 28.
9
Diffraction line profiles from polydisperse crystalline systems. Corrigenda.多分散晶体系统的衍射线轮廓。勘误
Acta Crystallogr A Found Adv. 2021 May 1;77(Pt 3):232. doi: 10.1107/S2053273321002813. Epub 2021 Mar 17.
10
Model-independent structure factors from powder X-ray diffraction: a novel approach.从粉末 X 射线衍射中提取无模型结构因子：一种新方法。
J Synchrotron Radiat. 2014 Jan;21(Pt 1):119-26. doi: 10.1107/S1600577513028269. Epub 2013 Dec 7.

引用本文的文献

1
Artificial intelligence in action: building simulation and analysis tools for powder diffraction.人工智能的应用：构建粉末衍射的模拟与分析工具
Acta Crystallogr A Found Adv. 2025 Sep 1;81(Pt 5):401-404. doi: 10.1107/S2053273325007508. Epub 2025 Sep 4.
2
Low-Temperature Structural Study of Smectic C* Glass by X-ray Diffraction.用X射线衍射对近晶C*玻璃进行低温结构研究
J Phys Chem B. 2025 Jun 26;129(25):6455-6463. doi: 10.1021/acs.jpcb.5c03603. Epub 2025 Jun 14.
3
-based calculation of total scattering patterns from discrete and low-dimensional structure models using .

本文引用的文献

1
Lorentz factor for time-of-flight neutron Bragg and total scattering.飞行时间中子布拉格和总散射的洛伦兹因子。
Acta Crystallogr A Found Adv. 2023 Jan 1;79(Pt 1):20-24. doi: 10.1107/S2053273322010427.
2
X-ray powder diffraction in education. Part I. Bragg peak profiles.教育中的X射线粉末衍射。第一部分。布拉格峰轮廓。
J Appl Crystallogr. 2021 Oct 27;54(Pt 6):1811-1831. doi: 10.1107/S1600576721009183. eCollection 2021 Dec 1.
3
Synchrotron powder diffraction of silicon: high-quality structure factors and electron density.硅的同步辐射粉末衍射：高质量的结构因子和电子密度。
基于离散和低维结构模型使用……对总散射模式进行的计算。
J Appl Crystallogr. 2025 Feb 1;58(Pt 1):187-193. doi: 10.1107/S1600576724011749.
Acta Crystallogr A Found Adv. 2016 Jan;72(Pt 1):28-35. doi: 10.1107/S2053273315018318. Epub 2016 Jan 1.
4
Temperature diffuse scattering of nanocrystals.纳米晶体的温度漫散射
Acta Crystallogr A. 2012 May;68(Pt 3):382-92. doi: 10.1107/S0108767312009853. Epub 2012 Mar 29.