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SAXS data modelling for the characterisation of ion tracks in polymers

Wang, Xue ; Dutt, Shankar ; Notthoff, Christian ; Kiy, Alexander ; Mota-Santiago, Pablo LU ; Mudie, Stephen T ; Toimil-Molares, Maria E ; Liu, Feng ; Wang, Yugang and Kluth, Patrick (2022) In Physical chemistry chemical physics : PCCP 24(16). p.9345-9359
Abstract

Here, we present new models to fit small angle X-ray scattering (SAXS) data for the characterization of ion tracks in polymers. Ion tracks in polyethylene terephthalate (PET), polycarbonate (PC), polyimide (PI) and polymethyl methacrylate (PMMA) were created by swift heavy ion irradiation using 197Au and 238U with energies between 185 MeV and 2.0 GeV. Transmission SAXS measurements were performed at the Australian Synchrotron. SAXS data were analysed using two new models that describe the tracks by a cylindrical structure composed of a highly damaged core with a gradual transition to the undamaged material. First, we investigate the 'Soft Cylinder Model', which assumes a smooth function to describe the transition... (More)

Here, we present new models to fit small angle X-ray scattering (SAXS) data for the characterization of ion tracks in polymers. Ion tracks in polyethylene terephthalate (PET), polycarbonate (PC), polyimide (PI) and polymethyl methacrylate (PMMA) were created by swift heavy ion irradiation using 197Au and 238U with energies between 185 MeV and 2.0 GeV. Transmission SAXS measurements were performed at the Australian Synchrotron. SAXS data were analysed using two new models that describe the tracks by a cylindrical structure composed of a highly damaged core with a gradual transition to the undamaged material. First, we investigate the 'Soft Cylinder Model', which assumes a smooth function to describe the transition region by a gradual change in density from a core to a matrix. As a simplified and computational less expensive version of the 'Soft Cylinder Model', the 'Core Transition Model' was developed to enable fast fitting. This model assumes a linear increase in density from the core to the matrix. Both models yield superior fits to the experimental SAXS data compared with the often-used simple 'Hard Cylinder Model' assuming a constant density with an abrupt transition.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical chemistry chemical physics : PCCP
volume
24
issue
16
pages
15 pages
publisher
Royal Society of Chemistry
external identifiers
  • scopus:85128470648
  • pmid:35383785
ISSN
1463-9084
DOI
10.1039/d1cp05813d
language
English
LU publication?
yes
id
a1588460-04c0-4ddc-83ce-dba0ad6782cf
date added to LUP
2024-02-02 10:49:52
date last changed
2024-04-19 12:30:31
@article{a1588460-04c0-4ddc-83ce-dba0ad6782cf,
  abstract     = {{<p>Here, we present new models to fit small angle X-ray scattering (SAXS) data for the characterization of ion tracks in polymers. Ion tracks in polyethylene terephthalate (PET), polycarbonate (PC), polyimide (PI) and polymethyl methacrylate (PMMA) were created by swift heavy ion irradiation using  <sup>197</sup>Au and  <sup>238</sup>U with energies between 185 MeV and 2.0 GeV. Transmission SAXS measurements were performed at the Australian Synchrotron. SAXS data were analysed using two new models that describe the tracks by a cylindrical structure composed of a highly damaged core with a gradual transition to the undamaged material. First, we investigate the 'Soft Cylinder Model', which assumes a smooth function to describe the transition region by a gradual change in density from a core to a matrix. As a simplified and computational less expensive version of the 'Soft Cylinder Model', the 'Core Transition Model' was developed to enable fast fitting. This model assumes a linear increase in density from the core to the matrix. Both models yield superior fits to the experimental SAXS data compared with the often-used simple 'Hard Cylinder Model' assuming a constant density with an abrupt transition. </p>}},
  author       = {{Wang, Xue and Dutt, Shankar and Notthoff, Christian and Kiy, Alexander and Mota-Santiago, Pablo and Mudie, Stephen T and Toimil-Molares, Maria E and Liu, Feng and Wang, Yugang and Kluth, Patrick}},
  issn         = {{1463-9084}},
  language     = {{eng}},
  month        = {{04}},
  number       = {{16}},
  pages        = {{9345--9359}},
  publisher    = {{Royal Society of Chemistry}},
  series       = {{Physical chemistry chemical physics : PCCP}},
  title        = {{SAXS data modelling for the characterisation of ion tracks in polymers}},
  url          = {{http://dx.doi.org/10.1039/d1cp05813d}},
  doi          = {{10.1039/d1cp05813d}},
  volume       = {{24}},
  year         = {{2022}},
}