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Design and management of a powder diffraction beamline for Line Profile Analysis: a realistic ray-tracing approach

Published online by Cambridge University Press:  16 April 2015

Luca Rebuffi ,
Paolo Scardi  and
Manuel Sanchez del Rio
Luca Rebuffi*
Affiliation:
Elettra-Sincrotrone Trieste, Strada Statale 14, Km 163.5, Basovizza 34149, Trieste, Italy Department of Civil, Environmental and Mechanical Engineering, University of Trento, via Mesiano 77, Trento 38123, Italy
Paolo Scardi
Affiliation:
Department of Civil, Environmental and Mechanical Engineering, University of Trento, via Mesiano 77, Trento 38123, Italy
Manuel Sanchez del Rio
Affiliation:
European Synchrotron Radiation Facility BP 220, Grenoble-Cedex 38043, France
*
a) Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

Most synchrotron radiation X-ray diffraction (XRD) beamlines have been primarily designed for studying conventional materials, whereas a modern approach to nanomaterials requires a complete control of the diffracted signal, and therefore of the optics and general setup of the beamline. This requirement is especially relevant when Line Profile Analysis is pushed to the limits of large domain sizes, small deformations, or low defects concentration, which is a driving force to use synchrotron radiation XRD. We combine the SHADOW ray-tracing optical simulation with the calculation of powder diffraction profile from standard materials, into a high-level workflow environment based on the ORANGE software. Algorithms are developed to reproduce optical elements in a realistic form, so to evaluate the effects of aberrations, with the final purpose of reconstructing the Instrumental Profile Function of the beamline, with the possibility of investigating the role of each separate element. The results of this work can be of interest to most beamlines as a powerful tool for the design of setups of existing as well as new beamlines.

Keywords

powder diffractioninstrumental profile functionsynchrotron radiationline profile analysisray-tracing simulation
Type
Technical Articles
Information
Powder Diffraction , Volume 30 , Supplement S1 , June 2015 , pp. S56 - S64
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Copyright
Copyright © International Centre for Diffraction Data 2015 

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