DOI: 10.5061/dryad.t4b8gtj7h
title: Data from: Tracking copper nanofiller evolution in polysiloxane during processing into SiOC ceramic

description: Polymer-derived ceramics are an interesting class of materials that have
 application in ultra-high temperature ceramic matrix composites,
 functional coatings, catalysis, biomedical devices, and energy storage. By
 starting as pre-ceramic polymers, they have access to polymer processing
 routes which allow the formation of complex shapes prior to processing
 into dense, ceramic materials. However, extreme densitification and volume
 shrinkage during processing often leads to cracking and void formation. To
 combat this, nanofillers are often added to the polymer matrix prior to
 processing, which add an unshrinkable component to the matrix and bolster
 mechanical properties. Despite their interest for several applications,
 fundamental research into the structural changes occurring during pyolysis
 and interactions between nanofiller and matrix occurring on the local
 scale is lacking. In this work, copper nanofiller is added to pre-ceramic
 polysiloxane, and the resulting composite is heated to 1000 °C. Total
 X-ray Scattering is taken at discrete temperatures during processing in an
 effort to understand average structure changes such as crystalline phase
 formation (high energy X-ray diffraction), local structure indications of
 pyrolysis in the matrix (pair distribution function), and local-scale
 interfacial reactions between nanofiller and matrix (differential-pair
 distribution functions). The total X-ray scattering data is reported in
 this Dryad repository.
description: This data was collected at the Advanced Photon Source 11-ID-B
 beamline (GUP-75644, wavelength 0.2115 Å). Sample-to-detector distances
 for XRD and PDF were 1m and 180mm, respectively. The data provided here
 have been calibrated and integrated into 1D I(q) scattering files (.chi
 format) in which column 1 is the scattering angle 2-theta in degrees and
 column 2 is integrated intensity. Calibration and integration were
 performed in GSAS-II using CeO<sub>2</sub> (sample-to-detector
 distances) and Ni standards (instrumental parameters). The area around the
 beamstop was excluded from integration. For the PDF, scattering from the
 empty Kapton sample capillary was subtracted during integration.
description: # Data from: Tracking copper nanofiller evolution in polysiloxane during
 processing into SiOC ceramic Notes on X-ray scattering data 2023-10-06
 Paul Cuillier Data were collected at Advanced Photon Source 11-ID-B, using
 an area detector. X-ray wavelength was 0.2115 Angstrom. PDF patterns were
 collected with a 180 mm specimen-to-detector distance. XRD patterns were
 collected with a 1000 mm specimen-to-detector distance. The exact detector
 distance was calibrated using the CeO2 standard. The raw images were
 integrated in GSAS-II. Only the region around the beam stop was excluded
 from the integration. For PDF data, the scattering from the empty Kapton
 sample container was subtracted in the integration step. In the .chi
 files: The first column is the scattering angle 2-theta in degrees. The
 second column is the integrated intensity. For both the PDF and XRD data,
 .chi files are named tp indicate processing temperature (X), copper
 loading (Y), and data type (XRD vs PDF) using the following convention:
 SPR-212_XC_Ywt-Cu_XRD.chi In the XRD folder, alongside the data files are
 also the integrated CeO2 standard XRD file and the calibrated instrument
 parameter file (.instprm) for loading into GSAS-II. In the PDF folder,
 alongside the data files are also the integrated CeO2 standard PDF file
 and the PDF of the empty Caption capillary for use as background.