Abstract
The identification and quantification of amorphous components and nanocrystalline phases with very small crystal sizes, smaller than ~3 nm, within samples containing crystalline phases is very challenging. However, this is important as there are several types of systems that contain these matrices: building materials, glass-ceramics, some alloys, etc. The total scattering synchrotron pair distribution function (PDF) can be used to characterize the local atomic order of the nanocrystalline components and to carry out quantitative analyses in complex mixtures. Although the resolution in momentum transfer space has been widely discussed, the resolution in the interatomic distance space has not been discussed to the best of our knowledge. Here, we report synchrotron PDF data collected at three beamlines in different experimental configurations and X-ray detectors. We not only discuss the effect of the resolution in Q-space, Qmax ins of the recorded data and Qmax of the processed data, but we also discuss the resolution in the interatomic distance (real) space. A thorough study of single-phase crystalline nickel used as standard was carried out. Then, selected cement-related samples including anhydrous tricalcium and dicalcium silicates, and pastes derived from the hydration of tricalcium silicate and ye’elimite with bassanite were analyzed.
Highlights
Powder diffraction, normally coupled to the Rietveld method, is one of the most used techniques to study the structure and properties of crystalline materials [1]
The lowest data acquisition time of 27 s was selected for this configuration and sample. (ii) For the total scattering data collected at materials science and powder diffraction (MSPD), two different data collection times were tested: 37 min and 74 min, see Figure S4
We report synchrotron pair distribution function (PDF) data collected at three beamlines in different experimental
Summary
Normally coupled to the Rietveld method, is one of the most used techniques to study the structure and properties of crystalline materials [1]. An ordinary crystallographic analysis is based on Bragg reflections which are related to the long-range, in most cases periodic, average structure of materials [3]. This type of analysis ignores the weak diffuse scattering that can provide information about local atomic structure(s). The PDF data are obtained by a Fourier transformation of the total scattering powder diffraction pattern [4,5,6] This methodology has been successfully applied to the study of amorphous materials without long range order and crystalline materials as well [4,5,6,7,8,9]
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