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Title: Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature

Abstract

A method is presented for quantitatively evaluating the shape and size of deformed particles in dispersion from their two-dimensional anisotropic spectra by small-angle scattering. By means of real spherical harmonic expansion, we derive analytical expressions of the gyration tensor R in terms of experimentally measured anisotropic scattering functions, yielding a tensorial extension of the Guinier law. We demonstrate the usefulness of this approach by a model study of an affinely deformed Gaussian chain. We further show that radius of gyration R g is the source term of intraparticle structure factor at the mean-field limit, and from this perspective, we address the connection between R and conformation asphericity. As a result, the developed method not only facilitates quantitative scattering studies of deforming materials, but also provides insightful information regarding their deformation behavior at the molecular level based on the symmetric properties of real spherical harmonics.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [2];  [3]; ORCiD logo [2];  [4]; ORCiD logo [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); National Center for Theoretical Sciences, Hsinchu (Taiwan)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Institut Laue-Langevin, Grenoble cedex (France)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1531253
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 10; Journal Issue: n/a; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Huang, Guan -Rong, Wang, Yangyang, Do, Changwoo, Porcar, Lionel, Shinohara, Yuya, Egami, Takeshi, and Chen, Wei -Ren. Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature. United States: N. p., 2019. Web. doi:10.1021/acs.jpclett.9b01418.
Huang, Guan -Rong, Wang, Yangyang, Do, Changwoo, Porcar, Lionel, Shinohara, Yuya, Egami, Takeshi, & Chen, Wei -Ren. Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature. United States. doi:10.1021/acs.jpclett.9b01418.
Huang, Guan -Rong, Wang, Yangyang, Do, Changwoo, Porcar, Lionel, Shinohara, Yuya, Egami, Takeshi, and Chen, Wei -Ren. Mon . "Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature". United States. doi:10.1021/acs.jpclett.9b01418.
@article{osti_1531253,
title = {Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature},
author = {Huang, Guan -Rong and Wang, Yangyang and Do, Changwoo and Porcar, Lionel and Shinohara, Yuya and Egami, Takeshi and Chen, Wei -Ren},
abstractNote = {A method is presented for quantitatively evaluating the shape and size of deformed particles in dispersion from their two-dimensional anisotropic spectra by small-angle scattering. By means of real spherical harmonic expansion, we derive analytical expressions of the gyration tensor R in terms of experimentally measured anisotropic scattering functions, yielding a tensorial extension of the Guinier law. We demonstrate the usefulness of this approach by a model study of an affinely deformed Gaussian chain. We further show that radius of gyration Rg is the source term of intraparticle structure factor at the mean-field limit, and from this perspective, we address the connection between R and conformation asphericity. As a result, the developed method not only facilitates quantitative scattering studies of deforming materials, but also provides insightful information regarding their deformation behavior at the molecular level based on the symmetric properties of real spherical harmonics.},
doi = {10.1021/acs.jpclett.9b01418},
journal = {Journal of Physical Chemistry Letters},
number = n/a,
volume = 10,
place = {United States},
year = {2019},
month = {7}
}

Journal Article:
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This content will become publicly available on July 1, 2020
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