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An algebraic convolution formulation for multiple-scattering correction in small-angle neutron scattering
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An algebraic convolution formulation for multiple-scattering correction in small-angle neutron scattering

Chi-Huan Tung, Guan-Rong Huang, Yangyang Wang, Jan-Michael Carrillo, Tae-Hwan Kim, Anton F. Astner, Lionel Porcar, Yuya Shinohara, Yingrui Shang, Gernot Rother, …
The Journal of chemical physics, 卷.164(17), 174112
07/05/2026
PMID: 42081351

摘要

Chemistry Chemistry, Physical Physical Sciences Physics Physics, Atomic, Molecular & Chemical Science & Technology
Multiple scattering in small-angle neutron scattering (SANS) redistributes spectral weight and distorts structural interpretation, particularly for thick or strongly scattering samples. We develop a finite-dimensional spectral desmearing framework that corrects multiple scattering without resorting to integral transforms or model-dependent extrapolation. The primary intensity is expanded in an orthonormal basis adapted to the isotropic transverse-momentum measure, under which convolution reduces to a recursive tensor contraction, allowing the Poisson-weighted multiple-scattering series to be evaluated directly in a finite-dimensional basis representation. This formulation yields a stable forward-inverse mapping between apparent and primary spectra. Numerical tests demonstrate convergence under repeated convolution and accurate recovery of the single-scattering intensity. Application to SANS measurements collected at multiple neutron facilities, including the Spallation Neutron Source, the High Flux Isotope Reactor, and the Institut Laue-Langevin, shows the quantitative reconstruction of the underlying primary spectrum across a wide range of transmission conditions, including strongly attenuating samples. The method provides a stable, model-agnostic framework for multiple-scattering correction in SANS and enables consistent structural interpretation across instruments and scattering regimes.

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