The purpose of the workshop is to bring together expertise to investigate synergistic approaches for neutron and X-ray investigation of nuclear and magnetic diffuse scattering, and macrostructural dynamics. It will focus on single crystal diffuse scattering to educate and update the user community of the newly available and emerging diffuse scattering capabilities, data processing and analysis options that are currently exercised on a per-data-set basis. Furthermore, advanced computational modelling techniques, including reverse Monte Carlo and machine learning, will be presented.
A tutorial part will provide the participants with tools to enable them to work with their single crystal diffuse scattering data. It will start with finding the orientation of the crystal and then continue to create 3D volumes, 2D slices and 1D cuts in reciprocal space for visualization. It will introduce methods for processing the data to obtain local deviation from the average structure known (3D-δPDF). Finally, visualizing the full 3D volumes with Paraview will be shown.
Please check the Agenda for the complete program