Fast computing of scattering maps of nanostructures using graphical processing units
CEA-UJF, INAC, SP2M, Grenoble, France, Universite Joseph Fourier, Grenoble, France
arXiv:1010.2641v1 [cond-mat.mtrl-sci] (13 Oct 2010)
@article{2010arXiv1010.2641F,
author={Favre-Nicolin}, V. and {Coraux}, J. and {Richard}, {M.-I.} and {Renevier}, H.},
title={“{Fast computing of scattering maps of nanostructures using graphical processing units}”},
journal={ArXiv e-prints},
archivePrefix={“arXiv”},
eprint={1010.2641},
primaryClass={“cond-mat.mtrl-sci”},
keywords={Condensed Matter – Materials Science},
year={2010},
month={oct},
adsurl={http://adsabs.harvard.edu/abs/2010arXiv1010.2641F},
adsnote={Provided by the SAO/NASA Astrophysics Data System}
}
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.
February 11, 2011 by hgpu
