Unlocking Hidden Information in Sparse Small-Angle Neutron Scattering Measurements

IF 9.7 1区 化学 Q1 CHEMISTRY, PHYSICAL Journal of Colloid and Interface Science Pub Date : 2025-04-10 DOI:10.1016/j.jcis.2025.137554
Chi-Huan Tung , Sidney Yip , Guan-Rong Huang , Lionel Porcar , Yuya Shinohara , Bobby G. Sumpter , Lijie Ding , Changwoo Do , Wei-Ren Chen
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Abstract

Hypothesis
Small-Angle Neutron Scattering (SANS) is a powerful technique for studying soft matter systems such as colloids, polymers, and lyotropic phases, providing nanoscale structural insights. However, its effectiveness is limited by low neutron flux, leading to long acquisition times and noisy data. We hypothesize that Bayesian statistical inference using Gaussian Process Regression (GPR) can reconstruct high-fidelity scattering data from sparse measurements by leveraging intensity smoothness and continuity.
Experiments and Simulations
The method was benchmarked computationally and validated through SANS experiments on various soft matter systems, including wormlike micelles, colloidal suspensions, polymeric structures, and lyotropic phases. GPR-based inference was applied to both experimental and synthetic data to evaluate its effectiveness in noise reduction and intensity reconstruction.
Findings
GPR significantly enhances SANS data quality and therefore reducing measurement times by up to two orders of magnitude. This cost-effective approach maximizes experimental efficiency, enabling high-throughput studies and real-time monitoring of dynamic systems. It is particularly beneficial for weakly scattering and time-sensitive studies. Beyond SANS, this framework applies to other low-SNR techniques, including laboratory-based small-angle X-ray scattering and various dynamical scattering methods. Furthermore, it offers transformative potential for compact neutron sources, enhancing their viability for structural analysis in resource-limited settings.

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稀疏小角中子散射测量中隐藏信息的解锁
假设小角中子散射(SANS)是研究软物质系统(如胶体、聚合物和溶向相)的一种强大技术,可以提供纳米级结构的见解。然而,其有效性受到中子通量低的限制,导致采集时间长,数据有噪声。我们假设使用高斯过程回归(GPR)的贝叶斯统计推断可以利用强度平滑性和连续性从稀疏测量中重建高保真的散射数据。实验与模拟本方法在各种软物质体系(包括蠕虫状胶束、胶体悬浮液、聚合物结构和溶变相)上进行了基准计算和SANS实验验证。将基于gpr的推理应用于实验数据和合成数据,以评估其在降噪和强度重建方面的有效性。findsgpr显著提高了SANS数据质量,从而将测量时间减少了两个数量级。这种具有成本效益的方法最大限度地提高了实验效率,实现了高通量研究和动态系统的实时监测。它特别有利于弱散射和时间敏感的研究。除了SANS之外,该框架还适用于其他低信噪比技术,包括基于实验室的小角度x射线散射和各种动态散射方法。此外,它为紧凑型中子源提供了变革潜力,提高了它们在资源有限的环境下进行结构分析的可行性。
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来源期刊
CiteScore
16.10
自引率
7.10%
发文量
2568
审稿时长
2 months
期刊介绍: The Journal of Colloid and Interface Science publishes original research findings on the fundamental principles of colloid and interface science, as well as innovative applications in various fields. The criteria for publication include impact, quality, novelty, and originality. Emphasis: The journal emphasizes fundamental scientific innovation within the following categories: A.Colloidal Materials and Nanomaterials B.Soft Colloidal and Self-Assembly Systems C.Adsorption, Catalysis, and Electrochemistry D.Interfacial Processes, Capillarity, and Wetting E.Biomaterials and Nanomedicine F.Energy Conversion and Storage, and Environmental Technologies
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