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通过掠入射中子散射和虚拟实验相结合的方法理解近表面聚合物动力学。

Understanding near-surface polymer dynamics by a combination of grazing-incidence neutron scattering and virtual experiments.

作者信息

Kyrey Tetyana, Ganeva Marina, Witte Judith, von Klitzing Regine, Wellert Stefan, Holderer Olaf

机构信息

Jülich Centre for Neutron Science at Heinz Maier-Leibnitz Zentrum, Forschungszentrum Jülich GmbH, Garching, Germany.

Institute of Chemistry, Technical University Berlin, Berlin, Germany.

出版信息

J Appl Crystallogr. 2021 Feb 1;54(Pt 1):72-79. doi: 10.1107/S1600576720014739.

DOI:10.1107/S1600576720014739
PMID:33833641
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7941298/
Abstract

Neutron spin-echo spectroscopy is a unique experimental method for the investigation of polymer dynamics. The combination of neutron spin-echo spectroscopy with grazing-incidence geometry (GINSES) opens the possibility to probe the dynamics of soft-matter materials in the vicinity of the solid substrate in the time range up to 100 ns. However, the usage of the GINSES technique has some peculiarities and, due to the novelty of the method and complexity of the scattering geometry, difficulties in further data analysis occur. The current work discusses how virtual experiments within the distorted-wave Born approximation using the software can improve GINSES data treatment and aid the understanding of polymer dynamics in the vicinity of the solid surface. With two examples, poly(-isopropyl acrylamide) brushes and poly(ethylene glycol) microgels on Si surfaces, the simulation as well as the application of the simulation to the GINSES data analysis are presented. The approach allowed a deeper insight to be gained of the background effect and scattering contribution of different layers.

摘要

中子自旋回波光谱法是研究聚合物动力学的一种独特实验方法。中子自旋回波光谱法与掠入射几何结构（GINSES）相结合，使得在高达100 ns的时间范围内探测固体基底附近软物质材料的动力学成为可能。然而，GINSES技术的使用有一些特殊之处，并且由于该方法的新颖性和散射几何结构的复杂性，在进一步的数据分析中会出现困难。当前的工作讨论了如何使用该软件在扭曲波玻恩近似下进行虚拟实验，以改进GINSES数据处理，并有助于理解固体表面附近的聚合物动力学。通过两个例子，即硅表面上的聚（异丙基丙烯酰胺）刷和聚（乙二醇）微凝胶，展示了模拟以及模拟在GINSES数据分析中的应用。该方法能够更深入地了解不同层的背景效应和散射贡献。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/0d4d2bc93c3c/j-54-00072-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/bc11ef46fc61/j-54-00072-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/ccd21d717926/j-54-00072-fig2.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/5e73fe8b149a/j-54-00072-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/581ea395f9ec/j-54-00072-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/b0e8a239858c/j-54-00072-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/7b24fce39373/j-54-00072-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/0d4d2bc93c3c/j-54-00072-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/bc11ef46fc61/j-54-00072-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/ccd21d717926/j-54-00072-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/4aa6bac525cc/j-54-00072-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/5e73fe8b149a/j-54-00072-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/581ea395f9ec/j-54-00072-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/b0e8a239858c/j-54-00072-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/7b24fce39373/j-54-00072-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5417/7941298/0d4d2bc93c3c/j-54-00072-fig8.jpg

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