Understanding near-surface polymer dynamics by a combination of grazing-incidence neutron scattering and virtual experiments,Journal of Applied Crystallography

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Understanding near-surface polymer dynamics by a combination of grazing-incidence neutron scattering and virtual experiments
Journal of Applied Crystallography ( IF 5.2 ) Pub Date : 2021-02-01 , DOI: 10.1107/s1600576720014739
Tetyana Kyrey ₁ , Marina Ganeva ₁ , Judith Witte ₂ , Regine von Klitzing ₃ , Stefan Wellert ₂ , Olaf Holderer ₁

Affiliation

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 BornAgain software can improve GINSES data treatment and aid the understanding of polymer dynamics in the vicinity of the solid surface. With two examples, poly(N-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.

中文翻译：

通过掠入射中子散射和虚拟实验相结合了解近表面聚合物动力学

中子自旋回波光谱是研究聚合物动力学的独特实验方法。中子自旋回波光谱与掠入射几何 (GINSES) 的结合为在高达 100 ns 的时间范围内探测固体基质附近的软物质材料的动力学提供了可能性。然而，GINSES 技术的使用有一些特殊性，并且由于该方法的新颖性和散射几何的复杂性，导致进一步的数据分析出现困难。当前的工作讨论了如何使用 BornAgain 软件在扭曲波 Born 近似中进行虚拟实验，从而改进 GINSES 数据处理并帮助理解固体表面附近的聚合物动力学。通过硅表面上的聚(N-异丙基丙烯酰胺)刷和聚(乙二醇)微凝胶两个例子，介绍了模拟以及模拟在GINSES数据分析中的应用。该方法可以更深入地了解不同层的背景效应和散射贡献。

更新日期：2021-02-01

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