TY - JOUR
T1 - SAXS data modelling for the characterisation of ion tracks in polymers
AU - Wang, Xue
AU - Dutt, Shankar
AU - Notthoff, Christian
AU - Kiy, Alexander
AU - Mota-Santiago, Pablo
AU - Mudie, Stephen T.
AU - Toimil-Molares, Maria E.
AU - Liu, Feng
AU - Wang, Yugang
AU - Kluth, Patrick
N1 - Publisher Copyright:
© 2022 The Royal Society of Chemistry
PY - 2022/3/23
Y1 - 2022/3/23
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85128470648&partnerID=8YFLogxK
U2 - 10.1039/d1cp05813d
DO - 10.1039/d1cp05813d
M3 - Article
SN - 1463-9076
VL - 24
SP - 9345
EP - 9359
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 16
ER -