2010 Denver X-ray Conference Information:

Program

Thermo Scientific

Chemplex

Sponsors Polymer Workshop

Blake Industries, Inc.

Bruker AXS, Inc.

PANalytical Inc.

Rigaku Americas Corporation

Cultural Heritage

 

2010 Denver X-ray Conference Information:

call for papers 2010

WORKSHOPS - MONDAY & TUESDAY 2-3 AUGUST 2010

Monday Morning 9:00 am – 12:00 pm

XRD

SURVEY OF BASIC XRD APPLICATIONS - EVERGREEN A
Organizer & Instructors:
S.T. Misture, NYS College of Ceramics at Alfred University, Alfred, NY, misture@alfred.edu
T. Blanton, Eastman Kodak Company, Rochester, NY
M. Rodriguez, Sandia National Laboratories, Albuquerque, NM

This ½ day workshop will survey various applications of XRD analysis, including in-situ analyses and neutron diffraction. The analyses will include phase ID, crystallite size and microstrain, preferred orientation and texture, lattice parameters and solid solutions, and residual stress. Brief overviews of high-temperature in-situ analysis, neutron diffraction and synchrotron studies will be included.

TRACE PHASE IDENTIFICATION USING CHEMICAL INFORMATION - EVERGREEN C
Organizers and Instructors:
T. Fawcett, International Centre for Diffraction Data, Newtown Square, PA, dxcfawcett@outlook.com
J. Kaduk, Poly Crystallography Inc., Naperville, IL, kaduk@polycrystallography.com

We have all been challenged at some point in trying to identify important materials in complex mixtures based on a minimum (1-2 lines) amount of diffraction data. Even the best batch processed phase identification software often has difficulty with minor and trace phase identification (1-10 weight %) simply due to a lack of statistical significance in the data. However, most of the time the analyst knows some information about the specimen that is not reflected in the XRD data. The analyst may know the sample history, type of sample, and some knowledge of the chemistry, physical properties or observational behavior (i.e., hardness, bubbles with acid). Tools such as relational databases, LeBail refinement, pattern simulations and Rietveld refinements can be used to search and find information about a sample that provides significance when coupled with just a few observations in your diffraction data. This workshop will use actual examples, demonstrating both the tools and processes, for successfully identifying the needles in a haystack. We will focus on the methods and tools used after the bulk phases have been identified, that will enable you to identify the minor and trace components. The tools
and processes can help a good analyst become a great analyst!

TEXTURE ANALYSIS I - EVERGREEN D
Organizer & Instructors:
H. Schaeben, Freiberg University of Mining & Technology, Freiberg, Saxony, Germany, schaeben@geo.tu-freiberg.de
C. Lavoie, IBM Research, T.J. Watson Research Center, Yorktown Heights, NY
R. Hielscher, Helmholtz Zentrum München; GSF - Forschungszentrum für Umwelt und Gesundheit, Neuherberg, Germany
F. Bachmann, Technische Universität Bergakademie Freiberg, Freiberg, Germany

Texture analysis is a method to quantify the pattern of crystallographic preferred orientation in polycrystalline materials like metals, rocks
or ceramics. This workshop will cover:

  1. A brief introduction into the basic mathematics of practical texture analysis from the point of view of Radon transforms and computer tomography.
  2. An extensive introduction into the free and open source Matlab® toolbox MTEX (http://code.google.com/p/mtex/) to compute an orientation density function (odf) from experimental pole intensity data, e.g., area detector data, and its characteristic properties as harmonic coefficients, texture index, mode, volume portions, etc.

Attendees are asked to bring their own computer notebook, if possible equipped with a recent MATLAB license to do hands-on exercises by themselves.

SPECIAL NOTICE - Participants in the Texture Analysis workshop should bring their own laptops/notebooks. If you do not have a MATLAB license, a temporary license will be provided for you on the day of the workshop. Participants should also go to: http://code.google.com/p/mtex/ to download MTEX.

XRF

STANDARDS AND ADVANCED SAMPLE PREPARATION FOR XRF ANALYSIS - EVERGREEN B
Organizer & Instructors:
K. Tsuji, Osaka City University, Osaka, Japan, tsuji@a-chem.eng.osaka-cu.ac.jp
K. Nakano, Osaka City University, Osaka, Japan
U. Fittschen, University of Hamburg, Hamburg, Germany
B. Beckhoff, Physikalisch-Technische Bundesanstalt, Berlin, Germany

This workshop will introduce standard materials for quantitative XRF analysis of trace or major elements in metals, plastics, soils, and other matrices. The emphasis will be on understanding how to prepare the calibration standards, as well as reference-free XRF analysis. A demonstration on how to evaluate analytical performance of micro-XRF by using micro-structured materials will be provided. Additionally, the workshop will included a discussion on sample preparation using pico-droplets and pre-concentration techniques, which are useful for trace analytical techniques such as TXRF.

Monday Afternoon 2:00 – 5:00 pm

XRD

TWO-DIMENSIONAL DETECTORS - EVERGREEN A
Organizers & Instructors:
T. Blanton, Eastman Kodak Company, Rochester, NY, tblanton@icdd.com
B.B. He, Bruker AXS Inc., Madison, WI, bob.he@bruker-axs.com
M. Kobas, DECTRIS Ltd., Baden, Switzerland
M. Fransen, PANalytical B.V., Almelo, The Netherlands
J. Ferrara, Rigaku Americas Corporation, The Woodlands, TX

Two-dimensional diffraction data contains abundant information about the atomic arrangement, microstructure, and defects of a solid or liquid material. In recent years, the use of two-dimensional detectors has dramatically increased in academic, government and industrial laboratories. This workshop covers recent progress in two-dimensional X-ray diffraction in terms of detector technology, geometry and configuration of the two-dimensional diffractometer. Various applications such as phase ID, texture, stress, crystallinity, combinational screening and thin film analysis will be discussed.

TEXTURE ANALYSIS II - EVERGREEN D
Organizer & Instructors:
H. Schaeben, Freiberg University of Mining & Technology, Freiberg, Saxony, Germany, schaeben@geo.tu-freiberg.de
C. Lavoie, IBM Research, T.J. Watson Research Center, Yorktown Heights, NY
R. Hielscher, Helmholtz Zentrum München; GSF - Forschungszentrum für Umwelt und Gesundheit, Neuherberg, Germany
F. Bachmann, Technische Universität Bergakademie Freiberg, Freiberg, Germany

Continuation of Texture Analysis I.

XRF

TRACE ANALYSIS - EVERGREEN B
Organizer & Instructors:
J. Heckel, SPECTRO Analytical Instruments, Kleve, Germany, jheckel@spectro.com
A. Gross, Bruker Nano GmbH, Berlin, Germany
C. Streli, Atominstitut - TU Wien, Wien, Austria
Z.W. Chen, X-ray Optical Systems, Inc.  East Greenbush, NY

The workshop will be focused on the fundamentals of trace analysis by X-ray fluorescence. Opportunities and limitations of different techniques like SR XRF, polarized beam XRF, TXRF and monochromatic focused beam XRF will be pointed out in relation to conventional XRF. Improving the detection limits for a large variety of applications like “Lead in Toys”, “Se-Metabolism” or “Al and Si traces in catalyst fines” will be discussed.

BASIC XRF - EVERGREEN C
Organizer & Instructors:
T. Elam, Ametek/EDAX Research Group and University of Washington APL, Seattle, WA, wtelam@apl.washington.edu
G. Havrilla, Los Alamos National Laboratory, Los Alamos, NM

This workshop provides a basic introduction to the principles of XRF, and is specifically aimed at those new to the field. It will start with a general overview of the technique, followed by more specific details of the basic principles. The emphasis will be on understanding how to use XRF and what its capabilities are. In the second half of the workshop, a few selected applications will be presented. The focus of this segment will be to provide an understanding of how the basic principles affect actual practice.

Tuesday Morning 9:00 am – 12:00 pm

XRD & XRF

CULTURAL HERITAGE I - EVERGREEN A
Organizers & Instructors:
M. Walton, Getty Conservation Institute, Los Angeles, CA, mwalton@getty.edu
K. Eremin, Harvard Art Museum, Cambridge, MA, katherine_eremin@harvard.edu
A. Bezur, The Museum of Fine Arts, Houston Conservation, Houston, TX
A. Drews, Ford Research & Advanced Engineering, Ford Motor Company, Dearborn, MI
J. Dik, Delft University of Technology, Delft, The Netherlands
K. Trentelman, Getty Conservation Institute, Los Angeles, CA

This workshop will be focused on the use of XRF and XRD to analyze works of art. The instructors will discuss both the general use of these techniques and their limitations, as well as the specialized issues surrounding the use of this instrumentation on works of art. An emphasis will be placed this year on the characterization of ceramics, glazes, and glasses which often contain difficult-to-analyze light elements. Discussions will therefore be centered on the optimization of portable XRF instruments for the analysis of these materials.

USING FEFF TO MODEL REAL-WORLD SYSTEMS - EVERGREEN E&F
Organizers & Instructors:
C. Segre, Illinois Institute of Technology, Chicago, IL, segre@iit.edu
J. Kas, University of Washington, Seattle, WA
A. Frenkel, Yeshiva University, New York, NY
G. Bunker, Illinois Institute of Technology, Chicago, IL

FEFF 9 is the most recent release of the FEFF ab initio self-consistent multiple-scattering code for simultaneous calculations of excitation spectra and electronic structure. This program is able to calculate extended X-ray-absorption fine structure (EXAFS), full multiple scattering calculations of various X-ray absorption spectra (XAS) and projected local densities of states (LDOS). The spectra include X-ray absorption near edge structure (XANES), X-ray natural and magnetic circular dichroism (XNCD and XMCD), spin polarized X-ray absorption spectra (SPXAS and SPEXAFS), non-resonant X-ray emission spectra (XES), the X-ray scattering amplitude (Thomson and anomalous parts), and electron energy loss spectroscopy (EELS). The workshop will provide attendees with an overview of the newest features of the program, examples of using FEFF 8 to model real-world systems and some hands-on examples.

SPECIAL NOTICE - The FEFF8 workshop will include some hands on activities using FEFF8. If you wish to participate in this portion of the workshop (you may also wish to simply observe the demonstration or look at a neighbor’s computer), you wil need to bring a laptop which can be booted from a USB stick. We will provide a Linux distribution on a bootable USB stick for use during the workshop. All the necessary software will be provided.

XRD

PAIR DISTRIBUTION FUNCTION - EVERGREEN B
Organizer & Instructor:
V. Petkov, Central Michigan University, Mt. Pleasant, MI, petkov@phy.cmich.edu
M. Gateshki, PANalytical B.V., Almelo, The Netherlands

This workshop will provide a brief refresher on the PDF’s fundamentals and hands-on training on experimental XRD data, both in-house and synchrotron, reduction into PDFs, as well as fitting of structure models to experimental PDFs. Attendees are encouraged to bring laptops and data sets of their own.

SPECIAL NOTICE - Participants in the PDF workshop may go to: http://www.phy.cmich.edu/people/petkov/software.html and download the Windows or Mac OSX GUI-version of the program RAD, and the manual posted there. The instructor will be using RAD to illustrate how XRD data are reduced to atomic PDFs.

POLYMERS I (SUPPORTED BY BRUKER, PANALYTICAL AND RIGAKU) - EVERGREEN C
Organizers & Instructors:
S. Murthy, Rutgers University, Piscataway, NJ, murthy@biology.rutgers.edu
B. Landes, Dow Chemical Company, Midland, MI, bglandes@dow.com
C. Burger, SUNY – Stony Brook, Stony Brook, NY
J. Ilavsky, Advance Photon Source/Argonne National Laboratory, Argonne, IL
G. Beaucage, University of Cincinnati, Cincinnati, OH
B. Lee, Advance Photon Source/Argonne National Laboratory, Argonne, IL

Small-angle X-ray scattering (SAXS) is a well established technique in many areas (biology, materials science, metallurgy, polymer and colloid physics) for analyzing structures at the colloidal length scale ( 10-100’s nm). It is a powerful metrology technology that can be used to describe the size, size distribution, shape, density, volume fraction, order/disorder, and interfaces of moieties in multiphase systems. The workshop will discuss SAXS theory, instrumentation, data analysis / interpretation, and structural modeling. The presenters will discuss examples from the field of polymers, ceramics, biological systems, and particulate materials. Software packages that can be used in the analysis of the data and specific analysis methods will be described. A relatively new technique for the analysis of long-range structure near surfaces, grazing incidence SAXS (GISAXS), will be discussed. Each of the lectures will cover specific means of data collection, the models used to interpret the data, and the techniques for analyzing the data to get meaningful information. Specific topics that are of broad interest and falling within the scope can be submitted for consideration in advance to murthy@biology.rutgers.edu.

XRF

QUANTITATIVE ANALYSIS I - EVERGREEN D
Organizer & Instructors:
M. Mantler, Purkersdorf, Austria, michaelmantler@aon.at
B. Vrebos, PANalytical B.V., Almelo, The Netherlands
W.T. Elam, University of Washington, Seattle, WA

MORNING: Basic methods of quantitative analysis:

  1. Theoretical and mathematical foundation: Classical fundamental parameter models.
  2. Practical application: Working curves and influence coefficients, compensation methods.

AFTERNOON: Advanced methods of quantitative analysis:

  1. Interpretation of spectra and full spectrum modeling.
  2. Coherent and incoherent scattering.
  3. Analysis of thin films/layers.

Tuesday Afternoon 2:00 pm – 5:00 pm

XRD & XRF

CULTURAL HERITAGE II - EVERGREEN A
Organizers & Instructors:
M. Walton, Getty Conservation Institute, Los Angeles, CA, mwalton@getty.edu
K. Eremin, Harvard Art Museum, Cambridge, MA, katherine_eremin@harvard.edu
A. Bezur, The Museum of Fine Arts, Houston Conservation, Houston, TX
A. Drews, Ford Research & Advanced Engineering, Ford Motor Company, Dearborn, MI
J. Dik, Delft University of Technology, Delft, The Netherlands
K. Trentelman, Getty Conservation Institute, Los Angeles, CA
Continuation of Cultural Heritage I.

XRD

POLYMERS II - EVERGREEN C
Organizers & Instructors:
S. Murthy, Rutgers University, Piscataway, NJ, murthy@biology.rutgers.edu
B. Landes, Dow Chemical Company, Midland, MI, bglandes@dow.com
C. Burger, SUNY – Stony Brook, Stony Brook, NY
J. Ilavsky, Advance Photon Source/Argonne National Laboratory, Argonne, IL
G. Beaucage, University of Cincinnati, Cincinnati, OH
B. Lee, Advance Photon Source/Argonne National Laboratory, Argonne, IL

Continuation of Polymers I.

XRF

SPECIMEN PREPARATION XRF - EVERGREEN B
Organizer & Instructors:
J. Anzelmo, Anzelmo & Associates, Inc., Madison, WI, jaanzelmo@aol.com
P. Grine, Vesuvius, Bettsville, OH
L. Ottmar, Millennium Inorganic Chemicals, A Cristal Company, Glen Burnie, MD

This workshop will cover the basics of XRF Sample Preparation including sampling techniques and equipment needed. Preparation of powder briquettes and fusion beads, and the techniques and equipment used for manual and automated methods will be discussed. Fusion techniques will include both borate and peroxide methods. Powder methods will include sample reduction methods necessary before specimen preparation. Materials to be covered include alumino-silicates, acidic and basic minerals, refractories, geological, mining, cement and associated raw materials.

QUANTITATIVE ANALYSIS II - EVERGREEN D
Organizer & Instructors:
M. Mantler, Purkersdorf, Austria, michaelmantler@aon.at
B. Vrebos, PANalytical B.V., Almelo, The Netherlands
W.T. Elam, University of Washington, Seattle, WA

Continuation of Quantitative Analysis I.