No abstract

No abstract

No abstract

We investigate with large-scale molecular dynamics simulations texture evolution in nanocrystalline Cu under planar shock wave loading. Five representative initial textures are explored under varying impact strengths. On the basis of Euler angles, we perform orientation mapping and texture analysis, including orientation distribution functions, pole figures, and inverse pole figures. Shock compression induces a weak but apparent ⟨110⟩ textures in nanocrystalline Cu initially with no texture, and a ⟨100⟩ fiber texture, and an incomplete weak ⟨110⟩ texture in nanocrystalline Cu initially with a {100}⟨100⟩ recrystallization texture; such texture changes can be attributed to deformation twinning and dislocation slip and traced back to grains initially with ⟨100⟩. A ⟨100⟩ texture and a {100}⟨100⟩ cube texture component are induced via twinning in nanocrystalline Cu initially with the ⟨111⟩ and β fiber textures, respectively, and can be traced back to grains initially with ⟨111⟩.

DATAD, a Python-based X-ray diffraction simulation code, has been developed for simulating one- and two-dimensional diffraction patterns of a polycrystalline specimen with an arbitrary texture under an arbitrary deformation state and an arbitrary detection geometry. Pixelated planar and cylindrical detectors can be used. The basic principles and key components of the code are presented along with the usage of DATAD. As validation and application cases, X-ray diffraction patterns of single-crystal and polycrystalline specimens with or without texture, or applied strain, on a planar or cylindrical detector are simulated.