Structural and magnetic diffuse scattering are common in materials with defects or magnetic frustrations. The two-day workshop will showcase diffuse scattering studies using the suite of single crystal neutron diffractometers at ORNL and ongoing software development. Topical lectures will cover neutron diffraction techniques to characterize the diffuse scattering associated with local order, of material studies with implementation of complex sample environments, and state-of-the-art software packages for data analysis.
Included software packages are DISCUS to simulate and refine the disordered structures for a wide range of structure defects and calculation of the diffraction patterns; 3D-∆PDF, a model-free tool to analyze the local disorder; rmc-discord for Reverse Monte Carlo refinement of three-dimensional volumetric scattering data; and the spinteract package to refine magnetic diffuse scattering data. Machine-learning based approaches will be discussed to extract the essential information from the magnetic diffuse scattering.
The participants will practice diffuse scattering data analysis through examples in hands-on tutorials.
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