Fast computing of scattering maps of nanostructures using graphical processing units

Abstract

Scattering maps from strained or disordered nano-structures around a Bragg reflection can either be computed quickly using approximations and a (Fast) Fourier transform, or using individual atomic positions. In this article we show that it is possible to compute up to 4.10^10 $reflections.atoms/s using a single graphic card, and we evaluate how this speed depends on number of atoms and points in reciprocal space. An open-source software library (PyNX) allowing easy scattering computations (including grazing incidence conditions) in the Python language is described, with examples of scattering from non-ideal nanostructures.

7 pages, 4 figures

References in corpus (3)

• Analysis of strain and stacking faults in single nanowires using Bragg coherent diffraction imaging
• Inversion of the Diffraction Pattern from an Inhomogeneously Strained Crystal using an Iterative Algorithm
• Strain and correlation of self-organized Ge_(1-x)Mn_x nanocolumns embedded in Ge (001)

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• Time-dependent relaxation of strained silicon-on-insulator lines using a partially coherent x-ray nanobeam
• Bragg Coherent Imaging of nanoprecipitates: role of superstructure reflections