Insights into distorted lamellar phases with small-angle scattering and machine learning

Tung, C.H.-; Ding, L.; Huang, G.-R.; Porcar, L.; Shinohara, Y.; Sumpter, B.G.; Do, C.; Chen, W.-R.

doi:10.1107/S1600576725000317

Journal of Applied Crystallography Journal of Applied
Crystallography

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Figure 5
SANS intensity, $[I(Q\tilde{d})]$ , for aqueous solutions of AOT at concentrations of 30, 40 and 50%, presented in dimensionless units with $[Q\tilde{d}]$ as the key parameter. The initial estimate for the average inter-plane distance, $[\tilde{d}]$ , is determined as $[2\pi/{\tilde{Q}}]$ , where $[\tilde{Q}]$ is the position of the first correlation peak in $[I(Q\tilde{d})]$ . The black curves represent the optimized $[I(Q\tilde{d})]$ obtained from the KAN model through least-squares regression. Qualitative observations reveal that, as the AOT weight fraction increases, the height of the first correlation peak decreases. Distinct variations in lamellar structural organization are apparent in $[I(Q\tilde{d})]$ , particularly in the height and width of the second correlation peak.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 58| Part 2| April 2025|

https://doi.org/10.1107/S1600576725000317

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