Determining Gyration Tensor of Orienting Macromolecules through Their Scattering Signature

Huang, Guan -Rong; Wang, Yangyang; Do, Changwoo; Porcar, Lionel; Shinohara, Yuya; Egami, Takeshi; Chen, Wei -Ren

doi:10.1021/acs.jpclett.9b01418

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:

Huang, Guan -Rong ^[1];

^[2];

^[2]; Porcar, Lionel ^[3];

^[2]; Egami, Takeshi ^[4];

^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); National Center for Theoretical Sciences, Hsinchu (Taiwan)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Institut Laue-Langevin, Grenoble cedex (France)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

Publication Date:: Mon Jul 01 00:00:00 EDT 2019

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

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 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.

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                    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.  https://doi.org/10.1021/acs.jpclett.9b01418

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                    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.  https://doi.org/10.1021/acs.jpclett.9b01418.  https://www.osti.gov/servlets/purl/1531253.

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@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       = ,

  volume       = 10,

  place        = {United States},

  year         = {Mon Jul 01 00:00:00 EDT 2019},

  month        = {Mon Jul 01 00:00:00 EDT 2019}

}

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https://doi.org/10.1021/acs.jpclett.9b01418

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Cited by: 6 works

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Figures / Tables:

Figure 1: (a) Schematic pictures of using small angle neutron scattering technique to investigate the deformation of materials. (b) The predicted two-dimensional coherent scattering intensities of a Gaussian chain. The spectra collected from the quiescent state are seen to be isotropic (top panel). With the presence of steady shear. themore »

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