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Digital Library

of the European Council for Modelling and Simulation

 

Title:

Data Vizualization: From X-Ray Measurements To The Atomic Structure Via Wavelet

Authors:

Marina Chukalina

Published in:

 

 

(2006).ECMS 2006 Proceedings edited by: W. Borutzky, A. Orsoni, R. Zobel. European Council for Modeling and Simulation. doi:10.7148/2006 

 

ISBN: 0-9553018-0-7

 

20th European Conference on Modelling and Simulation,

Bonn, May 28-31, 2006

 

Citation format:

Chukalina, M. (2006). Data Vizualization: From X-Ray Measurements To The Atomic Structure Via Wavelet. ECMS 2006 Proceedings edited by: W. Borutzky, A. Orsoni, R. Zobel (pp. 430-433). European Council for Modeling and Simulation. doi:10.7148/2006-0430

DOI:

http://dx.doi.org/10.7148/2006-0430

Abstract:

In this paper an algorithm of the atomic structure visualization is discussed. The atomic structure is presented by a wavelet map. The EXAFS (X-ray absorption fine structure) signal is analyzed by means of the wavelet transform to determine the number of the coordination spheres, the radii of the coordination spheres and to identify the back-scattering centers on each coordination sphere.

Short introduction to the wavelet theory and to the EXAFS theory are given. Analysis of the LDH (layered double hydroxide) EXAFS spectrum illustrates all steps of the algorithm.

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