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Title: CONTIN XPCS: software for inverse transform analysis of X-ray photon correlation spectroscopy dynamics

Abstract

X-ray photon correlation spectroscopy (XPCS) and dynamic light scattering (DLS) reveal materials dynamics using coherent scattering, with XPCS permitting the investigation of dynamics in a more diverse array of materials than DLS. Heterogeneous dynamics occur in many material systems. The authors' recent work has shown how classic tools employed in the DLS analysis of heterogeneous dynamics can be extended to XPCS, revealing additional information that conventional Kohlrausch exponential fitting obscures. The present work describes the software implementation of inverse transform analysis of XPCS data. This software, calledCONTIN XPCS, is an extension of traditionalCONTINanalysis and accommodates the various dynamics encountered in equilibrium XPCS measurements.

Authors:
 [1];  [1];  [2];  [1];  [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
  2. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Materials Measurement Science Division
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE Office of Science (SC)
OSTI Identifier:
1429091
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Crystallography (Online)
Additional Journal Information:
Journal Name: Journal of Applied Crystallography (Online); Journal Volume: 51; Journal Issue: 1; Journal ID: ISSN 1600-5767
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 47 OTHER INSTRUMENTATION; 97 MATHEMATICS AND COMPUTING; X-ray photon correlation spectroscopy; XPCS; CONTIN; inverse transformation; computer programs

Citation Formats

Andrews, Ross N., Narayanan, Suresh, Zhang, Fan, Kuzmenko, Ivan, and Ilavsky, Jan. CONTIN XPCS: software for inverse transform analysis of X-ray photon correlation spectroscopy dynamics. United States: N. p., 2018. Web. doi:10.1107/S1600576717017113.
Andrews, Ross N., Narayanan, Suresh, Zhang, Fan, Kuzmenko, Ivan, & Ilavsky, Jan. CONTIN XPCS: software for inverse transform analysis of X-ray photon correlation spectroscopy dynamics. United States. doi:10.1107/S1600576717017113.
Andrews, Ross N., Narayanan, Suresh, Zhang, Fan, Kuzmenko, Ivan, and Ilavsky, Jan. Thu . "CONTIN XPCS: software for inverse transform analysis of X-ray photon correlation spectroscopy dynamics". United States. doi:10.1107/S1600576717017113. https://www.osti.gov/servlets/purl/1429091.
@article{osti_1429091,
title = {CONTIN XPCS: software for inverse transform analysis of X-ray photon correlation spectroscopy dynamics},
author = {Andrews, Ross N. and Narayanan, Suresh and Zhang, Fan and Kuzmenko, Ivan and Ilavsky, Jan},
abstractNote = {X-ray photon correlation spectroscopy (XPCS) and dynamic light scattering (DLS) reveal materials dynamics using coherent scattering, with XPCS permitting the investigation of dynamics in a more diverse array of materials than DLS. Heterogeneous dynamics occur in many material systems. The authors' recent work has shown how classic tools employed in the DLS analysis of heterogeneous dynamics can be extended to XPCS, revealing additional information that conventional Kohlrausch exponential fitting obscures. The present work describes the software implementation of inverse transform analysis of XPCS data. This software, calledCONTIN XPCS, is an extension of traditionalCONTINanalysis and accommodates the various dynamics encountered in equilibrium XPCS measurements.},
doi = {10.1107/S1600576717017113},
journal = {Journal of Applied Crystallography (Online)},
number = 1,
volume = 51,
place = {United States},
year = {2018},
month = {2}
}

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Figures / Tables:

Figure 1 Figure 1: Figure based upon our earlier work (Andrews et al., 2017). Techniques for analysis of DLS and XPCS temporal autocorrelation functions g2(t).Γ shows relaxation rate in its conventional definition. We introduce the parameter Υ that represents a relaxation rate whose units reflect the transform used. Classic XPCS analysis usesmore » the Kohlrausch exponent α to account for deviation from simple exponential decay, whereas DLS assumes this results from dynamic heterogeneity through cumulant or inverse transform approaches. The method of cumulants characterizes the underlying monomodal distribution using parameters Γ, μ2 and μ3. Inverse transformation seeks the underlying distribution Ψ(Υ) itself by solving the inverse Laplace transform (CONTIN) or simultaneously solving a single q2-dependent inverse Laplace transform on multiple data sets g2(q, t) measured at different q (MULTIQ). Inclusion of the measurement q allows inverse transform analysis into two distributions, Ψ(Υ) and Ψ'(Υ), each with different q dependency (q2 and q0, respectively). a, b, α, and β are constants.« less

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