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Article Dans Une Revue Journal of Applied Crystallography Année : 2015

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
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Dates et versions

hal-02193704 , version 1 (24-07-2019)

Identifiants

Citer

J. Channagiri, Alexandre Boulle, A. Debelle. Diffuse X-ray scattering from ion-irradiated materials: A parallel-computing approach. Journal of Applied Crystallography, 2015, 48 (1), pp.252-261. ⟨10.1107/S1600576715000631⟩. ⟨hal-02193704⟩
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