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

Journal Article · · Physical Review. E
 [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

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.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1423001
Alternate ID(s):
OSTI ID: 1377129
Journal Information:
Physical Review. E, Vol. 96, Issue 2; ISSN 2470-0045
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 15 works
Citation information provided by
Web of Science

References (23)

Viscosity of a mixture of soft spheres journal October 1979
Sheared colloidal suspensions journal March 1983
Microstructure and rheology relationships for shear thickening colloidal dispersions journal March 2015
Bond-orientational anisotropy in metallic glasses observed by x-ray diffraction journal February 1987
Evaluation of the rotation matrices in the basis of real spherical harmonics journal December 1997
Microstructure from simulated Brownian suspension flows at large shear rate journal June 2002
Analysis of nonequilibrium structures of shearing colloidal suspensions journal July 1992
Start-up shear of concentrated colloidal hard spheres: Stresses, dynamics, and structure journal July 2016
Time-dependent flow in arrested states – transient behaviour journal November 2013
Yielding of Hard-Sphere Glasses during Start-Up Shear journal March 2012
Light scattering measurements of a hard‐sphere suspension under shear journal April 1990
Shear-induced angular dependence of the liquid pair correlation function journal August 1987
Non‐Newtonian phenomena in simple fluids journal January 1984
The build-up and relaxation of stresses in a glass-forming soft-sphere mixture under shear: A computer simulation study journal December 2009
Distortion of the structure of a simple fluid journal March 1982
Simple models for complex nonequilibrium fluids journal February 2004
Observation of the Coupling of Concentration Fluctuations to Steady-State Shear Flow journal April 1980
Quantum Theory of Angular Momentum book October 1988
Flow-small angle neutron scattering measurements of colloidal dispersion microstructure evolution through the shear thickening transition journal December 2002
A thermodynamics for a system under shear journal March 1982
Fingerprinting Molecular Relaxation in Deformed Polymers journal July 2017
Rotation Matrices for Real Spherical Harmonics. Direct Determination by Recursion journal January 1996
Imaging the Microscopic Structure of Shear Thinning and Thickening Colloidal Suspensions journal September 2011

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