At the frontier of research in novel engineering materials is the understanding of the relationship between microstructure and materials properties. It is well known that the dynamics of dislocation and other defect structures play an important role in the mechanism of metals plasticity and failure under stress. Diffraction is very sensitive to the strain fields related to the defect structures and is therefore the method of choice to study the evolution of dislocation densities.
Experimental methods based on x-ray and neutron diffraction at synchrotron and neutron sources have made giant steps forward in terms of instrumentation and available intensities. It is now possible to acquire high quality data sets in situ at or below the millisecond scale. On the other hand, for interpreting this wealth of data, theoretical methods have not been significantly advanced since the ‘70s - with the outstanding (but nowadays too limited) works of Krivoglaz and Wilkens.
The aim of this project is to break new ground in the interpretation of diffraction data (both powder diffraction and polychromatic Laue diffraction) by improving the understanding of the link between the parameterization of the diffraction profile and the underlying microstructure. Bottom-up approaches are aimed for in which a set of advanced tools for fast calculation of diffraction profiles will be developed.