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Title: Reconstruction of three-dimensional anisotropic structure from small-angle scattering experiments

Abstract

When subjected to flow, the structures of many soft-matter systems become anisotropic due to the symmetry breaking of the spatial arrangements of constituent particles at the microscopic level. At present, it is common practice to use various small-angle scattering techniques to explore flow-induced microstructural distortion. However, there has not been a thorough discussion in the literature on how a three-dimensional anisotropic structure can be faithfully reconstructed from two-dimensional small-angle scattering spectra. Here, in this work, we address this issue rigorously from a mathematical perspective by using real spherical harmonic expansion analysis. We first show that, except for cases in which mechanical perturbation is sufficiently small, the existing small-angle scattering techniques generally do not provide complete information on structural distortion. This limitation is caused by the linear dependence of certain real spherical harmonic basis vectors on the flow-vorticity and flow-velocity gradient planes in the Couette shear cell. To circumvent the constraint imposed by this geometry, an alternative approach is proposed in which a parallel sliding plate shear cell is used with a central rotary axis along the flow direction. Finally, from the calculation of rotation of the reference frame, we demonstrate the feasibility of this experimental implementation for a fully resolvedmore » three-dimensional anisotropic structure via a case study of sheared polymers.« less

Authors:
 [1]; ORCiD logo [2];  [3]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [3];  [4];  [4]; ORCiD logo [5]
  1. National Center for Theoretical Sciences, Hsinchu (Taiwan). Physics Division; Univ. of Tennessee and Oak Ridge National Laboratory, Oak Ridge, TN (United States). Shull Wollan Center; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division
  4. Institut Laue-Langevin (France)
  5. Univ. of Tennessee and Oak Ridge National Laboratory, Oak Ridge, TN (United States). Shull Wollan Center; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE
OSTI Identifier:
1423001
Alternate Identifier(s):
OSTI ID: 1377129
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. E
Additional Journal Information:
Journal Volume: 96; Journal Issue: 2; Journal ID: ISSN 2470-0045
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 36 MATERIALS SCIENCE

Citation Formats

Huang, Guan-Rong, Wang, Yangyang, Wu, Bin, Wang, Zhe, Do, Changwoo, Smith, Gregory Scott, Bras, Wim, Porcar, Lionel, Falus, Péter, and Chen, Wei-Ren. Reconstruction of three-dimensional anisotropic structure from small-angle scattering experiments. United States: N. p., 2017. Web. doi:10.1103/PhysRevE.96.022612.
Huang, Guan-Rong, Wang, Yangyang, Wu, Bin, Wang, Zhe, Do, Changwoo, Smith, Gregory Scott, Bras, Wim, Porcar, Lionel, Falus, Péter, & Chen, Wei-Ren. Reconstruction of three-dimensional anisotropic structure from small-angle scattering experiments. United States. https://doi.org/10.1103/PhysRevE.96.022612
Huang, Guan-Rong, Wang, Yangyang, Wu, Bin, Wang, Zhe, Do, Changwoo, Smith, Gregory Scott, Bras, Wim, Porcar, Lionel, Falus, Péter, and Chen, Wei-Ren. Mon . "Reconstruction of three-dimensional anisotropic structure from small-angle scattering experiments". United States. https://doi.org/10.1103/PhysRevE.96.022612. https://www.osti.gov/servlets/purl/1423001.
@article{osti_1423001,
title = {Reconstruction of three-dimensional anisotropic structure from small-angle scattering experiments},
author = {Huang, Guan-Rong and Wang, Yangyang and Wu, Bin and Wang, Zhe and Do, Changwoo and Smith, Gregory Scott and Bras, Wim and Porcar, Lionel and Falus, Péter and Chen, Wei-Ren},
abstractNote = {When subjected to flow, the structures of many soft-matter systems become anisotropic due to the symmetry breaking of the spatial arrangements of constituent particles at the microscopic level. At present, it is common practice to use various small-angle scattering techniques to explore flow-induced microstructural distortion. However, there has not been a thorough discussion in the literature on how a three-dimensional anisotropic structure can be faithfully reconstructed from two-dimensional small-angle scattering spectra. Here, in this work, we address this issue rigorously from a mathematical perspective by using real spherical harmonic expansion analysis. We first show that, except for cases in which mechanical perturbation is sufficiently small, the existing small-angle scattering techniques generally do not provide complete information on structural distortion. This limitation is caused by the linear dependence of certain real spherical harmonic basis vectors on the flow-vorticity and flow-velocity gradient planes in the Couette shear cell. To circumvent the constraint imposed by this geometry, an alternative approach is proposed in which a parallel sliding plate shear cell is used with a central rotary axis along the flow direction. Finally, from the calculation of rotation of the reference frame, we demonstrate the feasibility of this experimental implementation for a fully resolved three-dimensional anisotropic structure via a case study of sheared polymers.},
doi = {10.1103/PhysRevE.96.022612},
journal = {Physical Review. E},
number = 2,
volume = 96,
place = {United States},
year = {Mon Aug 28 00:00:00 EDT 2017},
month = {Mon Aug 28 00:00:00 EDT 2017}
}

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