Repository logo
 

Ultrafast electron diffraction pattern simulations using GPU technology. Applications to lattice vibrations.


No Thumbnail Available

Type

Article

Change log

Authors

Eggeman, AS 
London, A 
Midgley, PA 

Abstract

Graphical processing units (GPUs) offer a cost-effective and powerful means to enhance the processing power of computers. Here we show how GPUs can greatly increase the speed of electron diffraction pattern simulations by the implementation of a novel method to generate the phase grating used in multislice calculations. The increase in speed is especially apparent when using large supercell arrays and we illustrate the benefits of fast encoding the transmission function representing the atomic potentials through the simulation of thermal diffuse scattering in silicon brought about by specific vibrational modes.

Description

Keywords

Electron Crystallography, GPU, Multislice simulations, Phonons, Computer Graphics, Computer Simulation, Electronic Data Processing, Electrons, Vibration, X-Ray Diffraction

Journal Title

Ultramicroscopy

Conference Name

Journal ISSN

0304-3991
1879-2723

Volume Title

Publisher

Elsevier BV
Sponsorship
Engineering and Physical Sciences Research Council (EP/H017712/1)
European Research Council (291522)
European Commission (312483)
The research leading to these results has received funding from the European Research Council under the European Union’s Seventh Framework Programme (FP7/2007–2013)/ERC grant agreement 291522-3DIMAGE and the Seventh Framework Programme of the European Commission: ESTEEM2 (Enabling Science and Technology through European Electron Microscopy), contract number 312483. The work was also supported by the EPSRC through EP/HO17712.