![]() As an example, the Rietveld method, often employed in XRD data when performing full profile analysis, can yield invaluable physicochemical information regarding the material system under investigation (e.g., lattice parameters, crystallite sizes/strain, atom/site occupancies and weight percentages for mixed phase systems) but does not scale well with big data. Conventional data analysis methods, such as least-squares minimisation approaches, are not able to keep up with the data collections rates and there is a need for alternative methods which can provide both fast and accurate results 14. It is currently well-accepted that it is the data analysis that is emerging as the bottleneck for measurement science and not the data acquisition and/or the experiment itself. It is now possible to acquire many Terabytes (TBs) of XRD data per dynamic experiment and this is expected to increase significantly with the advent of the fourth generation synchrotron facilities all around the world, such as the Extremely Brilliant Source (EBS) of the European Synchrotron Radiation Facilities (ESRF) and MAX IV (Sweden) and the scheduled upgrades for Diamond-II (United Kingdom), Petra IV (Germany) and Advanced Photon Source-Upgrade (USA) 13. However, these advances come at a cost and this is related to the handling of the big data collected during these experiments. For example, we have previously demonstrated the first 5D operando tomographic diffraction imaging experiment (three spatial, one scattering and one dimension to denote time/imposed state) to study a multi-component catalytic reactor for the partial oxidation of methane 12. In situ and operando ultra-fast and/or spatially-resolved multi-dimensional XRD experiments of functional materials and devices previously considered technically infeasible have already been demonstrated 10, 11. It is now not uncommon to acquire diffraction patterns with sufficient signal-to-noise ratio in matters of minutes with laboratory diffractometers and in milliseconds at X-ray diffraction (XRD) dedicated beamlines at synchrotron facilities. These technical advances are beginning to make high-throughput powder diffraction measurements a reality not just at synchrotron facilities but also at the laboratory 8, 9. Over the past decade, advancements in X-ray sources, optics and detector technologies have led to a dramatic increase in the volume and data quality of experimental powder diffraction patterns 1, 2, 3, 4, 5, 6, 7. ![]()
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |