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Title: Elucidation of SESANS correlation functions through model

Abstract

Several single-modal Debye correlation functions are closely examined to elucidate the behaviorof their corresponding SESANS (Spin Echo Small Angle Neutron Scattering) correlation functions.We ¯nd that the upper bound of a Debye correlation function and of its SESANS correlation func-tion is identical. For discrete Debye correlation functions, the peak of SESANS correlation functionemerges at their ¯rst discrete point, whereas for continuous Debye correlation functions with greaterwidth, the peak position shifts to a greater value. In both cases, the intensity and shape of thepeak of the SESANS correlation function are determined by the width of the normalized Debyecorrelation functions. In the application, we mimic the intramolecular and intermolecular Debyecorrelation functions of liquids composed of interacting particles by using the simple models toelucidate their competition in the SESANS correlation function. Our calculations show that theposition of the ¯rst minimum of SESANS correlation function shifts to a smaller value as inter-molecular attraction or correlation is enhanced. The minimum value can be positive or negative,and the positive values are observed for the cases equivalent to stronger intermolecular attraction,consistent with literature results based on more sophisticated liquid state theory and simulations.

Authors:
 [1]; ORCiD logo [2]
  1. City University of New York (CUNY)
  2. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1037640
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 136; Journal Issue: N/A; Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CORRELATION FUNCTIONS; NEUTRON DIFFRACTION; SMALL ANGLE SCATTERING; SHAPE; SPIN

Citation Formats

Shew, Chwen-Yang, and Chen, Wei-Ren. Elucidation of SESANS correlation functions through model. United States: N. p., 2012. Web. doi:10.1063/1.3678228.
Shew, Chwen-Yang, & Chen, Wei-Ren. Elucidation of SESANS correlation functions through model. United States. doi:10.1063/1.3678228.
Shew, Chwen-Yang, and Chen, Wei-Ren. Sun . "Elucidation of SESANS correlation functions through model". United States. doi:10.1063/1.3678228.
@article{osti_1037640,
title = {Elucidation of SESANS correlation functions through model},
author = {Shew, Chwen-Yang and Chen, Wei-Ren},
abstractNote = {Several single-modal Debye correlation functions are closely examined to elucidate the behaviorof their corresponding SESANS (Spin Echo Small Angle Neutron Scattering) correlation functions.We ¯nd that the upper bound of a Debye correlation function and of its SESANS correlation func-tion is identical. For discrete Debye correlation functions, the peak of SESANS correlation functionemerges at their ¯rst discrete point, whereas for continuous Debye correlation functions with greaterwidth, the peak position shifts to a greater value. In both cases, the intensity and shape of thepeak of the SESANS correlation function are determined by the width of the normalized Debyecorrelation functions. In the application, we mimic the intramolecular and intermolecular Debyecorrelation functions of liquids composed of interacting particles by using the simple models toelucidate their competition in the SESANS correlation function. Our calculations show that theposition of the ¯rst minimum of SESANS correlation function shifts to a smaller value as inter-molecular attraction or correlation is enhanced. The minimum value can be positive or negative,and the positive values are observed for the cases equivalent to stronger intermolecular attraction,consistent with literature results based on more sophisticated liquid state theory and simulations.},
doi = {10.1063/1.3678228},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = N/A,
volume = 136,
place = {United States},
year = {2012},
month = {1}
}

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