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An exact inversion method for extracting orientation ordering by small-angle scattering
Journal article

An exact inversion method for extracting orientation ordering by small-angle scattering

冠榮 黃, Jan Michael Carrillo, Yangyang Wang, Changwoo Do, Lionel Porcar, Bobby Sumpter and Wei-Ren Chen
Physical Chemistry Chemical Physics, Vol.23(7), pp.4120-4132
22/01/2021
Appears in  keyword about Physics

Abstract

Flowing Elongated Particles;Orientational Distribution Function;Real Spherical Harmonic Expansion;Maximum Entropy Approach;Dissipative Particle Dynamics Simulations;Small-angle Scattering

We outline a nonparametric inversion strategy for determining the orientation distribution function (ODF) of sheared interacting rods using small-angle scattering techniques. With the presence of direct inter-rod interaction and fluid mechanical forces, the scattering spectra are no longer characterized by the azimuthal symmetry in the coordinates defined by the principal directions of simple shear conditions, which severely compounds the reconstruction of ODFs based on currently available methods developed for dilute systems. Using a real spherical harmonic expansion scheme, the real-space ODFs are uniquely determined from the anisotropic scattering spectra and their numerical accuracy is verified computationally. Our method can be generalized to extract ODFs of uniaxially anisotropic objects under different flow conditions in a properly transformed reference frame with suitable basis vectors.

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