A Bayesian desmearing algorithm for Bonse-Hart USANS with anisotropic scattering

Chi-Huan Tung; Guan-Rong Huang; Yangyang Wang; Jan-Michael Carrillo; Yuya Shinohara; Changwoo Do; Gernot Rother; Yingrui Shang; Wei-Ren Chen; Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

doi:10.1063/5.0325436

A Bayesian desmearing algorithm for Bonse-Hart USANS with anisotropic scattering

Chi-Huan Tung, Guan-Rong Huang, Yangyang Wang, Jan-Michael Carrillo, Yuya Shinohara, Changwoo Do, Gernot Rother, Yingrui Shang Wei-Ren Chen

The Journal of chemical physics, Vol.164(16), 164108

28/04/2026

: https://doi.org/10.1063/5.0325436

: 42023729

Chemistry

Chemistry, Physical

Physical Sciences

Physics

Physics, Atomic, Molecular & Chemical

Science & Technology

Ultra-small-angle neutron scattering (USANS) using Bonse-Hart optics provides micrometer-scale structural insights but suffers from severe slit-geometry smearing. While well-established for isotropic systems, quantitative desmearing of anisotropic data remains a challenge because conventional corrections break down for non-radial scattering. We address this by developing a resolution-aware Bayesian framework that explicitly incorporates anisotropy via an affine deformation to the scattering pattern, guided by the principle of parsimony. This results in orientation-resolved point-spread functions that enable a self-consistent determination of both the resolution and deformation parameters. Using Gaussian process regression with uncertainty quantification and a probabilistic correction for multiple scattering, we demonstrate the framework's effectiveness through numerical benchmarks and experimental studies of a stretched polymer melt. Our approach enables the seamless integration of SANS and USANS data, facilitating quantitative structural analysis of deformed materials at nanometer to micrometer scales.

: A Bayesian desmearing algorithm for Bonse-Hart USANS with anisotropic scattering
: Chi-Huan Tung - Oak Ridge National Laboratory
Guan-Rong Huang - National Tsing Hua University
Yangyang Wang - Oak Ridge National Laboratory
Jan-Michael Carrillo - Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA
Yuya Shinohara - Oak Ridge National Laboratory
Changwoo Do - Oak Ridge National Laboratory
Gernot Rother - Oak Ridge National Laboratory
Yingrui Shang - Oak Ridge National Laboratory
Wei-Ren Chen - Oak Ridge National Laboratory
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
: AIP Publishing
: 12
: Basic Energy Sciences; United States Department of Energy (DOE) 111-2112-M-110- 021-MY3; 113-2112-M-029-007; 114-2112-M- 029-008; 114-2628-M-007-004-MY4 / National Science and Technology Council 34532; IPTS-35884.1 / Office of Science; United States Department of Energy (DOE)
: Journal article
: 28/04/2026
: The Journal of chemical physics, Vol.164(16), 164108
: English