SAXS data modelling for the characterisation of ion tracks in polymers

Xue Wang, Shankar Dutt, Christian Notthoff, Alexander Kiy, Pablo Mota-Santiago, Stephen T. Mudie, Maria E. Toimil-Molares, Feng Liu, Yugang Wang, Patrick Kluth*

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    8 Citations (Scopus)

    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 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.

    Original languageEnglish
    Pages (from-to)9345-9359
    Number of pages15
    JournalPhysical Chemistry Chemical Physics
    Volume24
    Issue number16
    DOIs
    Publication statusPublished - 23 Mar 2022

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