The 2002 Denver X-ray Conference
Antlers Adam's Mark Hotel

(formerly Antlers Doubletree Hotel)
Colorado Springs, Colorado, U.S.A.
29th July - 2nd August 2002

Denver X-ray Conference - sponsored by the International Centre for Diffraction Data
Workshops

Monday, 29 July 2002
a.m. workshops: 9:00 a.m.–12:00 noon • p.m. workshops: 2:00 p.m.–5:00 p.m.

Workshops, Monday a.m.
XRD


W-1 Texture Analysis I (Learning Center)

Organized by: H. Schaeben, Freiberg University of Mining and Technology, Freiberg, Germany
Instructors: H. Schaeben, Freiberg University of Mining and Technology, Freiberg, Germany
R.J. De Angelis, University of Florida, Shalimar, FL
F. Heidelbach, Universität Bayreuth, Bayreuth, Germany
J. Fundenberger, Université de Metz, Metz CEDEX, France

Identifying experimental pole intensity data with the result of scanning the spherical X-ray transform
of an orientation density function, a unifying view of mathematical texture analysis is presented in
terms of spherical tomography. Material science application based on common X-ray radiation and very
recent geoscience applications based on synchrotron radiation because of its penetration depth and
angular resolution will be used to explain the rationale of texture analysis.


W-2 Methods of Phase Identification (Carson)

Organized by: R. Jenkins, Emeritus, International Centre for Diffraction Data, Newtown Square, PA
Instructors: R. Jenkins, Emeritus, International Centre for Diffraction Data, Newtown Square, PA
J. Faber, T. Fawcett, International Centre for Diffraction Data, Newtown Square, PA

This workshop is intended for those new to the field of phase identification by X-ray powder diffraction.
The program is based on the use of many worked examples and utilizes each of the standard
search/match methods currently supported by the ICDD.


XRF


W-3 Fundamentals of XRF (Summit I & II)

Organizers & Instructors: J. Gilfrich, Emeritus, SFA, Inc./NRL, Washington, DC
J. Croke, Emeritus, Philips Analytical, Inc., Natick, MA

This workshop is intended to explain briefly the basics of X-ray emission and how that information is
applied in the practice of X-ray Fluorescence Analysis. While aimed at new workers in the field, the level
of detail should have some interest for the more experienced analyst.


W-4 Analysis of Layered Materials by XRF (Fremont)

Organized by: M.W. Dirken, Philips Analytical, Almelo, The Netherlands
Instructors: M.W. Dirken, Philips Analytical, Almelo, The Netherlands
M. Mantler, Vienna University of Technology, Vienna, Austria
A. Wittkopp, NeXray L.L.C., Ronkonkoma, NY

This workshop provides an introduction to the analysis of layered materials and is intended for the
X-ray spectroscopist who encounters this analysis for the first time. Therefore, the physics and various
analysis models are presented. This is followed by contributions of ED-XRF and WD-XRF examples,
focusing on practical issues including problems of finite thickness and line selection.


Workshops, Monday p.m.


XRD


W-5 Texture Analysis II (Learning Center)

Organized by: H. Schaeben, Freiberg University of Mining and Technology, Freiberg, Germany
Instructors: H. Schaeben, Freiberg University of Mining and Technology, Freiberg, Germany
R.J. De Angelis, University of Florida, Shalimar, FL
F. Heidelbach, Universität Bayreuth, Bayreuth, Germany
J. Fundenberger, Université de Metz, Metz CEDEX, France

Continuation of W-1.


W-6 Advances in Database Technology (Carson)

Organized by: J. Faber, International Centre for Diffraction Data, Newtown Square, PA
Instructors: J. Faber, S. Kabekkodu, International Centre for Diffraction Data, Newtown
Square, PA

The International Centre for Diffraction Data (ICDD) is responding to the changing needs in
powder diffraction and materials analysis by developing completely new Powder Diffraction Files
(PDF-4) in relational database (RDB) format. In this workshop, an overview of RDB technology will
be presented, and how this technology helps to set the stage for total pattern analyses. The
PDF-4/Full File 2002 contains 136,895 powder diffraction patterns, mainly from inorganic phases.
The PDF-4/Organics 2002 will contain approximately 150,000 entries nearly all of which are organic
phases. On-the-fly fully digitized patterns have been developed to facilitate direct comparisons
between experiment and reference data in the PDF-4. A number of specific data mining exercises
that demonstrate the power of a relational database format over the traditional (flat file) database
structures will be presented. More importantly, it will be illustrated how these data mining techniques
can be exploited in real problem-solving environments.


XRF


W-7 Specimen Preparation I (Summit I & II)

Organized by: D. Broton, Construction Technology Labs, Skokie, IL
Instructors: D. Broton, S. Nettles, Construction Technology Labs, Skokie, IL
J. Anzelmo, Bruker AXS, Inc., Madison, WI
V. Kocman, A.S.O. Design, Quebec, Canada

The sampling and specimen preparation workshop at the DXC continues to be a fundamental
aspect of the Conference. This workshop covers the basics of sampling and specimen preparation
for a wide variety of materials. Novel approaches to preparing specimens for analysis come from
instructors with many years of experience applying those techniques to real-world industrial samples.
Tricks-of-the-trade and useful tips for both novices and experienced X-ray analysts will be presented.
The audience is encouraged to participate by providing input about their own experiences, sample
types and solutions. Topics in 2002 will include sampling, pressed powders, borate fusions, and loose
packed powders. Sample preparation methods for pitch and treated wood as well as using reference
materials and pure compounds for standardization of XRF instruments will also be included.



W-8 Polarized X-ray Optics (Summit III)

Organized by: B. Chappell, Macquarie University, Sydney, Australia
Instructors: B. Chappell, Macquarie University, Sydney, Australia
R.W. Ryon, Emeritus, Lawrence Livermore National Laboratories, Livermore, CA
J. Heckel, Spectro Analytical Instruments, Kleve, Germany
D. Wissmann, Spectro Analytical Instruments, Kleve, Germany
M. van Driessche, Texaco Technology, Ghent, Belgium

This workshop will discuss features of XRF analysis that are specific to the polarized technique. More
specifically, it will look at the practical problems of preparing samples of liquids and powders for
analysis by polarized XRF spectrometry. With an operating spectrometer, it will examine the procedures
for the analysis of low levels of sulfur in gasoline and for high precision analysis of samples in
fused glass beads. The use of the Compton method for matrix corrections will be discussed, and also
the Turboquant method of semiquantitative analysis. This workshop also seeks contributions from
other participants.

Tuesday, 30 July
a.m. workshops: 9:00 a.m.–12:00 noon • p.m. workshops: 2:00 p.m.–5:00 p.m.

Workshops, Tuesday a.m.
XRD & XRF


W-9 Optics (Carson)

Organized by: G.J. Havrilla, Los Alamos National Laboratory, Los Alamos, NM
Z. Al-Mosheky, Osmic, Inc., Troy, MI
Instructors: S. Formica, SUNY at Albany, Albany, NY
D.K. Bowen, Bede Scientific, Inc., Englewood, CO
L. Jiang, Osmic, Inc., Troy, MI
D. Gibson, Z. Chen, X-ray Optical Systems, Inc., Albany, NY

This workshop provides the basic knowledge about some selected X-ray optics including total reflection-
based ellipsoidal optics, polycapillary optics, crystal optics and multilayer optics. One objective
is to help users understand the basic working principles and performance characteristics of these
optics. The other objective is to further help users understand the function of an optical system in
an X-ray instrument.

XRD


W-10 Rietveld Applications I (Summit III)

Organized by: J.A. Kaduk, BP Chemicals, Naperville IL
Instructors: J.A. Kaduk, BP Chemicals, Naperville, IL, James.Kaduk@ineos.com
R.W. Morton, D.E. Simon, Phillips Petroleum Company, Bartlesville, OK,
rwmorton@ppco.com, desimon@ppco.com
M.A. Rodriguez, Sandia National Laboratory, Albuquerque, NM,
marodri@sandia.gov

This workshop is an introduction to using the Rietveld method to solve practical problems, with
emphasis on the approaches, thought processes, and potential pitfalls. The emphasis will be on concepts,
not details of the programs (though GSAS, Fullprof, and RIQAS will be illustrated). Topics covered
will include data collection, quantitative analysis, the accuracy and precision of structural and
analytical quantities, and application of the method in high-throughput production applications.
The main instruction will be through working examples in real time (not hands on), and discussing
how the analyst decides “what to do next”. The intention is to distribute a CD-ROM containing
(some) programs and the raw data for the examples. Attendees are invited to submit their own data
(in advance!) to one of the instructors for possible discussion.


XRF


W-11 Specimen Preparation II (Summit I & II)

Organized by: D. Broton, Construction Technology Labs, Skokie, IL
Instructors: D. Broton, S. Nettles, Construction Technology Labs, Skokie, IL
J. Anzelmo, Bruker AXS, Inc., Madison, WI
V. Kocman, A.S.O. Design, Quebec, Canada

Continuation of W-7.


W-12 Mathematical Methods of Quantitative XRF (Fremont)

Organized by: M. Mantler, Vienna University of Technology, Vienna, Austria
Instructors: M. Mantler, Vienna University of Technology, Vienna, Austria
B. Vrebos, Philips Analytical, Almelo, The Netherlands
W.T. Elam, University of Washington, Seattle, WA

This workshop will cover:
1. Empirical and theoretical methods of quantitative XRF
2. Basic interactions and atomic (“fundamental”) parameters
3. Sources and accuracy of atomic parameters and tube spectra
4. Classical fundamental parameter methods
5. Computed (theoretical) influence coefficients
6. Software issues
7. Special cases and methods (Thin films, inhomogeneous specimens, light elements)


Workshops Tuesday p.m.


XRD

W-13 Rietveld Applications II (Summit III)

Organized by: J.A. Kaduk, BP Chemicals, Naperville IL
Instructors: J.A. Kaduk, BP Chemicals, Naperville, IL
R.W. Morton, D.E. Simon, Phillips Petroleum Company, Bartlesville, OK
M.A. Rodriguez, Sandia National Laboratory, Albuquerque, NM

Continuation of W-10.

W-14 Line Broadening (Carson)

Organized by: J.D. Makinson, RSI Materials Engineering, Omaha, NE
Instructors: J.D. Makinson, RSI Materials Engineering, Omaha, NE
R.J. De Angelis, University of Florida, Shalimar, FL

This workshop covers the theory and application of line broadening as well as some of the pitfalls
and difficulties encountered. Techniques of line broadening measurements will be discussed along
with the limitations of each method. Applications will include line broadening of two-phase steels
with regard to processing, thermal history, carbon content, and service history.


XRF


W-15 Quantitative Analysis – Standardless Methods (Summit I & II)

Organized by: J.A. Anzelmo, Bruker AXS, Inc., Madison, WI
Instructors: J.A. Anzelmo, Bruker AXS, Inc., Madison, WI
K.-E. Mauser, Bruker AXS GmbH, Karlsruhe, Germany
D. Bonvin, Applied Research Laboratories, Ecublens, Switzerland

Two approaches have emerged as the methods for performing so-called Standardless Analysis. The
two approaches are 1) scanning, and 2) counting directly on peaks and backgrounds. This workshop
will discuss various aspects of the two approaches such as the theory, data collection, data manipulation,
calibration, sample preparation, and practical examples.

W-16 TXRF (Learning Center)

Organized by: M.A. Zaitz, IBM – EF Microelectronics, Hopewell Junction, NY
Instructors: M.A. Zaitz, IBM – EF Microelectronics, Hopewell Junction, NY
P. Wobrauschek, Atominstitut der Österreichischen Universitäten, Vienna, Austria

This workshop will cover the basics of total reflection X-ray fluorescence, as well as instrumentation,
calibration, and applications.