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DOE OSTI · 3002620

Unlocking hidden information in sparse small-angle neutron scattering measurements

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. Here, 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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BibTeXRIS

Tung, Chi-Huan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000221972074), Yip, Sidney [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)], Huang, Guan-Rong [National Tsing Hua Univ., Hsinchu (Taiwan)] (ORCID:0000000163939574), Porcar, Lionel [Inst. Laue-Langevin (ILL), Grenoble (France)], Shinohara, Yuya [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:000000018284751X), Sumpter, Bobby G. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000163410355), Ding, Lijie [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000227454606), Do, Changwoo [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000183588417), Chen, Wei-Ren [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000251920777). 2025-04-10. Unlocking hidden information in sparse small-angle neutron scattering measurements. https://doi.org/10.1016/j.jcis.2025.137554

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