Real-space calculation of powder diffraction patterns on graphics processing units

被引：37

作者：

Gelisio, Luca ^{[1
]}

Ricardo, Cristy Leonor Azanza ^{[1
]}

Leoni, Matteo ^{[1
]}

Scardi, Paolo ^{[1
]}

机构：

[1] Univ Trento, Dept Mat Engn & Ind Technol, I-38123 Trento, Italy

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2010年 / 43卷

关键词：

MULTIPLY-TWINNED PARTICLES; X-RAY; C-60; NANOCRYSTALS; NANOCLUSTERS; STABILITY; DISORDER; CLUSTERS; DEFECTS; 5-FOLD;

D O I：

10.1107/S0021889810005133

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new software for calculating the powder diffraction pattern of nano-sized objects has been developed to run on graphics processing units (GPUs). This solution is well suited to the inherently parallel structure of the Debye function, which is the core of the computation algorithm. Advantages and perspectives in view of the improving performance of GPUs are illustrated by several representative case studies.

引用

页码：647 / 653

页数：7

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