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XRD.US is running this theory
and hands-on short course from February 22 to
25, 2005 in New York City, USA. The course will be run over 4 consecutive
days and is divided into two specific sections: Theory and practice
of quantitative phase analysis by Rietveld method.
Course objective:
The course objective is to give a
crystallographic and mathematical background of standardless Rietveld
method and hands-on knowledge of modern Rietveld quantification software
packages for academia, government and industry professionals.
Course description:
The course will consist of two
components, the theory of Rietveld analysis and the practical application
and use of software packages for Rietveld quantitative analysis. All
participants will be supplied with notebook computers with installed
necessary software, database, and x-ray diffraction data files of samples
of various origins for quantification and tools for learning. The course
consists of series of lectures and exercises followed by practical
sessions on PCs. Vendors’ representatives will present modern phase
quantification software.
Theory:
Pre-Rietveld
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Unit cell, crystal
symmetry, space groups, Bravais lattices, atom positions, thermal
parameters and cell transformations
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Powder
diffraction, Miller indexes, diffracted intensities, atomic scattering
factors, anomalous dispersion
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Data collection, reduction and formatting, aberrations of Bragg-Brentano data,
preferred orientation, absorption contrast, extinction corrections,
particles statistics
Rietveld
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Rietveld intensity
equation. Integrated intensities vs. peak shape function. Profile models
used for various x-ray laboratory, synchrotron sources, neutron optical
configurations
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Overview of
parameters required in the refinement: phase scales, instrumental zero,
cell dimensions, half-widths parameters, preferred orientation, line-shape
functions, structural parameters, peak asymmetry, split peak shape
functions, line broadening and crystal size
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Corrections -
Lorenz, polarization, absorption, microabsorption, extinction
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Phase
quantification of amorphous materials or in absence of structural data
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Hints on
refinement strategy: what to refine first, early, or later. Diagnostic
features of the difference curve
Practical:
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Calculations with
hand-held calculator: 1-anomalous dispersion correction, 2-powder
pattern of MgO, peak positions, indexing, structure factors, and peak
intensities. 3- absorption contrast correction
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Data file reading,
manual and automatic phase identification, Search-Match software,
presence of amorphous components
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Working through a
complete quantification of specific problems, such as soil, geological,
pharmaceutical, industrial samples
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Real time
demonstration of SIROQUANT™,
TOPAS™,
RIQAS™
software packages (under guidance of software vendors)
Course
fee:
Academic and Government: $2000,
Industry: $3000, which includes all course notes and CD and use of
computers; breakfast and lunch on days 1-4 and course dinner on day 3.
Travel and accommodation are responsibility of the participants.
Deadline:
Places may be reserved by submission of the application
form and payment of the course fee by February 3, 2005.
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