Comparison of time-of-flight and MIEZE neutron spectroscopy of H2O.

IF 2.8 3区 材料科学 Q1 Biochemistry, Genetics and Molecular Biology
Journal of Applied Crystallography Pub Date : 2025-06-16 eCollection Date: 2025-08-01 DOI:10.1107/S1600576725003620
Lukas Beddrich, Johanna K Jochum, Philipp Bender, Leonie Spitz, Andreas Wendl, Christian Franz, Sebastian Busch, Fanni Juranyi, Christian Pfleiderer, Olaf Soltwedel
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引用次数: 0

Abstract

We report a comparison of modulation of intensity with zero effort (MIEZE), a neutron spin-echo technique, and neutron time-of-flight (ToF) spectroscopy, a conventional neutron scattering method. The evaluation of the respective recorded signals, which can be described by the intermediate scattering function I(Q, τ) (MIEZE) and the dynamic structure factor S(Q, E) (ToF), involves a Fourier transformation that requires detailed knowledge of the detector efficiency, instrumental resolution, signal background and range of validity of the spin-echo approximation. It is demonstrated that data obtained from pure water align well within the framework presented here, thereby extending the applicability of the MIEZE technique beyond the spin-echo approximation and emphasizing the complementarity of the two methods. Computational methods, such as molecular dynamics simulations, are highlighted as essential for enhancing the understanding of complex systems. Together, MIEZE and ToF provide a powerful framework for investigating dynamic processes across different time and energy domains, with particular attention required to ensure identical sample geometries for meaningful comparisons.

H2O的飞行时间和MIEZE中子能谱的比较。
我们报告了零努力调制强度(MIEZE),一种中子自旋回波技术和中子飞行时间(ToF)光谱,一种传统的中子散射方法的比较。对记录信号的评估,可以通过中间散射函数I(Q, τ) (MIEZE)和动态结构因子S(Q, E) (ToF)来描述,涉及傅立叶变换,需要详细了解探测器效率、仪器分辨率、信号背景和自旋回波近似的有效范围。结果表明,从纯水中获得的数据在本文提出的框架内很好地对准,从而扩展了MIEZE技术在自旋回波近似之外的适用性,并强调了两种方法的互补性。计算方法,如分子动力学模拟,被强调为加强对复杂系统的理解所必需的。MIEZE和ToF一起为研究不同时间和能量域的动态过程提供了一个强大的框架,需要特别注意确保相同的样品几何形状以进行有意义的比较。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
10.00
自引率
3.30%
发文量
178
审稿时长
4.7 months
期刊介绍: Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.
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