Fast computation of scattering maps of nanostructures using graphical processing units

被引：32
|
作者：
Favre-Nicolin, Vincent [1 ]
Coraux, Johann [2 ]
Richard, Marie-Ingrid [3 ]
Renevier, Hubert [4 ]
机构：
[1] Univ Grenoble 1, CEA, INAC, SP2M, Grenoble, France
[2] Univ Grenoble 1, CNRS, Inst Neel, Grenoble, France
[3] Univ Aix Marseille, IM2NP, CNRS, FST,UMR 6242, Marseille, France
[4] MINATEC, Grenoble INP, Mat & Genie Phys Lab, Grenoble, France
来源：
JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2011年 / 44卷
关键词：
REVERSE MONTE-CARLO; DIFFUSE-SCATTERING; DIFFRACTION; ALGORITHMS; CRYSTALS; STRAIN; TRANSFORMS; PARALLEL; PATTERNS; ENERGY;
D O I：
10.1107/S0021889811009009
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Scattering maps from strained or disordered nanostructures around a Bragg reflection can be either computed quickly using approximations and a (fast) Fourier transform or obtained using individual atomic positions. In this article, it is shown that it is possible to compute up to 4 x 10(10) reflections atoms s (1) using a single graphics card, and the manner in which this speed depends on the number of atoms and points in reciprocal space is evaluated. 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.
引用
收藏
页码：635 / 640
页数：6
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