Fast computing of scattering maps of nanostructures using graphical processing units
Materials Science
2015-03-17 v2
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.
Cite
@article{arxiv.1010.2641,
title = {Fast computing of scattering maps of nanostructures using graphical processing units},
author = {Vincent Favre-Nicolin and Johann Coraux and Marie-Ingrid Richard and Hubert Renevier},
journal= {arXiv preprint arXiv:1010.2641},
year = {2015}
}
Comments
7 pages, 4 figures