Diffuse X-ray scattering from ion-irradiated materials: A parallel-computing approach
Résumé
A computational method for the evaluation of the two-dimensional diffuse X-ray scattering distribution from irradiated single crystals is presented. A Monte Carlo approach is used to generate the displacement field in the damaged crystal. This step makes use of vector programming and multi-processing to accelerate the computation. Reciprocal space maps are then computed using GPU-accelerated fast Fourier transforms. It is shown that this procedure allows to speedup the calculation by a factor ~ 190 for a crystal containing 10 9 unit-cells. The potential of the method is illustrated with two examples: the diffuse scattering from a single crystal containing (i) a non-uniform defect depth-distribution (with a potentially bi-modal defect size distribution) and, (ii) spatially correlated defects exhibiting either long-range or short-range ordering with varying positional disorder.
Domaines
Matériaux
Origine : Fichiers produits par l'(les) auteur(s)
Loading...