Bridging powder and multi-crystal diffraction with basis-adaptive texture tomography

Abstract

In spatially resolved X-ray diffraction experiments using narrow beams, diffraction patterns from polycrystalline materials often fall between two well-served regimes. Fine-grained, weakly textured microstructures produce smooth Debye-Scherrer rings suited to powder- and tensor-tomography methods, whereas coarse, weakly deformed grains produce isolated spots that can be indexed grain by grain. Many important polycrystalline materials, including plastically deformed metals, martensitic and ferroelastic materials containing complex twin microstructures, and geological aggregates with strong texture or heterogeneous grain size, produce spotty diffraction rings with broadened and overlapping peaks between these limits. Texture tomography addresses this regime by reconstructing spatial orientation distributions from diffraction data. Here, conventional texture tomography lacks the angular resolution needed for sharp distributions, while grain-by-grain indexing can introduce boundary artifacts and underestimate intragranular misorientation. This work introduces basis-adaptive texture tomography. Candidate orientations obtained from peak indexing replace the uniform orientation grid, achieving higher angular resolution. Like conventional texture tomography, it benefits from reconstructing a full orientation distribution function in each voxel, allowing voxels to retain contributions from multiple grains, subgrains or domains rather than being forced into a single orientation. Simulated aluminum polycrystals show improved delineation of grain and sub-grain boundaries accompanied by lower intragranular orientation errors compared with uniform-basis texture tomography and point-by-point scanning 3DXRD. An experimental demonstration on tensile-deformed aluminum shows that bulk grain and subgrain structures with orientation spreads of several degrees can be mapped.