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Scattering-based structural reconstruction by dimensional elevation

delete2025-05-01
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PRE
AI
G
Guan-Rong Huang
C
Chi-Huan Tung
L
Lionel Porcar
C
Chen, Pengwen
DOI:10.1063/5.0257008delete
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Abstract

Abstract

En 中文
This study outlines a conceptually new approach for reconstructing the neutron scattering length density profile, Delta rho(r), directly from small-angle neutron scattering (SANS) intensity profiles, I(Q). The method is built upon a universal operator A, fundamental to scattering processes, which relates I(Q) to Delta rho(r) through the covariance matrix X equivalent to Delta rho(r)Delta rho(r)dagger. In contrast to conventional SANS data analysis techniques, this approach eliminates the need to predefine a model of Delta rho(r) in the regression process. This capability inherently addresses challenges often encountered in existing spectral inversion analysis, such as convergence to local minima due to incomplete analytical models, insufficient orthogonal basis vectors, or non-orthogonality among basis functions in model-free approaches. By extending spectral regression analysis from the vector space of I(Q) to the higher-dimensional space of AXA dagger, the PhaseLift framework imposes convexity on the regression process. This ensures the stable and computationally efficient reconstruction of the universal minimum Delta rho(r) from I(Q). Numerical benchmarks and experimental validations confirm the reliability of this approach in tackling neutron scattering inverse problems. The method establishes a robust and flexible framework for advancing neutron scattering data analysis, with the potential to significantly enhance both the precision and efficiency of experiments across various scientific domains. It provides a solid foundation for further research into the interpretation and application of scattering data.
Keywords:
SMALL-ANGLE SCATTERING
MOLECULES
RECOVERY

Journal

Journal of Chemical Physics cover
Journal of Chemical Physics
IF:
3.1
Papers:
7.2W
Citations:
23.2W

Organization

No organization information available