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 »
- Authors:
-
- 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
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division
- Institut Laue-Langevin (France)
- 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}
}
Web of Science
Works referenced in this record:
Viscosity of a mixture of soft spheres
journal, October 1979
- Evans, Denis J.; Hanley, H. J. M.
- Physical Review A, Vol. 20, Issue 4
Sheared colloidal suspensions
journal, March 1983
- Ackerson, Bruce J.; Clark, Noel A.
- Physica A: Statistical Mechanics and its Applications, Vol. 118, Issue 1-3
Microstructure and rheology relationships for shear thickening colloidal dispersions
journal, March 2015
- Gurnon, A. Kate; Wagner, Norman J.
- Journal of Fluid Mechanics, Vol. 769
Bond-orientational anisotropy in metallic glasses observed by x-ray diffraction
journal, February 1987
- Suzuki, Y.; Haimovich, J.; Egami, T.
- Physical Review B, Vol. 35, Issue 5
Evaluation of the rotation matrices in the basis of real spherical harmonics
journal, December 1997
- Blanco, Miguel A.; Flórez, M.; Bermejo, M.
- Journal of Molecular Structure: THEOCHEM, Vol. 419, Issue 1-3
Microstructure from simulated Brownian suspension flows at large shear rate
journal, June 2002
- Morris, Jeffrey F.; Katyal, Bhavana
- Physics of Fluids, Vol. 14, Issue 6
Analysis of nonequilibrium structures of shearing colloidal suspensions
journal, July 1992
- Wagner, Norman J.; Ackerson, Bruce J.
- The Journal of Chemical Physics, Vol. 97, Issue 2
Start-up shear of concentrated colloidal hard spheres: Stresses, dynamics, and structure
journal, July 2016
- Koumakis, N.; Laurati, M.; Jacob, A. R.
- Journal of Rheology, Vol. 60, Issue 4
Time-dependent flow in arrested states – transient behaviour
journal, November 2013
- Mutch, K. J.; Laurati, M.; Amann, C. P.
- The European Physical Journal Special Topics, Vol. 222, Issue 11
Yielding of Hard-Sphere Glasses during Start-Up Shear
journal, March 2012
- Koumakis, N.; Laurati, M.; Egelhaaf, S. U.
- Physical Review Letters, Vol. 108, Issue 9
Light scattering measurements of a hard‐sphere suspension under shear
journal, April 1990
- Wagner, Norman J.; Russel, William B.
- Physics of Fluids A: Fluid Dynamics, Vol. 2, Issue 4
Shear-induced angular dependence of the liquid pair correlation function
journal, August 1987
- Hanley, H. J. M.; Rainwater, J. C.; Hess, S.
- Physical Review A, Vol. 36, Issue 4
Non‐Newtonian phenomena in simple fluids
journal, January 1984
- Evans, Denis J.; Hanley, Howard J. M.; Hess, Siegfried
- Physics Today, Vol. 37, Issue 1
The build-up and relaxation of stresses in a glass-forming soft-sphere mixture under shear: A computer simulation study
journal, December 2009
- Zausch, J.; Horbach, J.
- EPL (Europhysics Letters), Vol. 88, Issue 6
Distortion of the structure of a simple fluid
journal, March 1982
- Hess, S.; Hanley, H. J. M.
- Physical Review A, Vol. 25, Issue 3
Simple models for complex nonequilibrium fluids
journal, February 2004
- Kroger, M.
- Physics Reports, Vol. 390, Issue 6
Observation of the Coupling of Concentration Fluctuations to Steady-State Shear Flow
journal, April 1980
- Clark, Noel A.; Ackerson, Bruce J.
- Physical Review Letters, Vol. 44, Issue 15
Quantum Theory of Angular Momentum
book, October 1988
- Varshalovich, D. A.; Moskalev, A. N.; Khersonskii, V. K.
Flow-small angle neutron scattering measurements of colloidal dispersion microstructure evolution through the shear thickening transition
journal, December 2002
- Maranzano, Brent J.; Wagner, Norman J.
- The Journal of Chemical Physics, Vol. 117, Issue 22
A thermodynamics for a system under shear
journal, March 1982
- Hanley, H. J. M.; Evans, Denis J.
- The Journal of Chemical Physics, Vol. 76, Issue 6
Fingerprinting Molecular Relaxation in Deformed Polymers
journal, July 2017
- Wang, Zhe; Lam, Christopher N.; Chen, Wei-Ren
- Physical Review X, Vol. 7, Issue 3
Rotation Matrices for Real Spherical Harmonics. Direct Determination by Recursion
journal, January 1996
- Ivanic, Joseph; Ruedenberg, Klaus
- The Journal of Physical Chemistry, Vol. 100, Issue 15
Imaging the Microscopic Structure of Shear Thinning and Thickening Colloidal Suspensions
journal, September 2011
- Cheng, X.; McCoy, J. H.; Israelachvili, J. N.
- Science, Vol. 333, Issue 6047