Argonne National Laboratory

Users Week 2007
May 7-12, 2007

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Registration & Abstracts
Practical Matters

- April 9: poster abstracts
- April 10: non-U.S. registration
- April 22: housing
- April 23: registration


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- 11 x 17

For Organizers


Past Meetings


Workshop 6

Wednesday, May 9
Bldg. 401, Rm. A5000
9:00 - 12:00
1:30 - 4:00

WK6 - Frontiers of Structure Analysis Using Powders

Angus Wilkinson, Georgia Institute of Technology
Ashfia Huq, Oak Ridge National Laboratory

To agenda > Updated 3/23/07

The elastic scattering of x-rays, or neutrons, from polycrystalline samples is a very powerful tool for examining long range crystal structure, local structure, the evolution of phase assemblages during chemical reaction, and response to mechanical stimuli, all under a wide range of temperatures, pressures and reactive environments. The workshop will examine recent developments in (1) software for both structure solution, and refinement and (2) experimental methodologies for examining samples under a wide range of conditions, including the utility of very high energy x-rays. Scientific areas of interest will include small molecule structure solution, protein structure analysis, disordered materials, both long range and short range structure in materials at high pressure, the engineering applications of powder diffraction, and in-situ studies of both transformations and chemical reactions.

The wide, and growing, range of scientific topics studied at the "frontiers of structure analysis" using polycrystalline samples is indicative of the versatility and great scientific utility of "powder diffraction." The increasing scientific reach of the technique suggests that there will be continued growth in both the number of people using powder diffraction for structure analysis and demand for suitable state of the art instrumentation at synchrotron and neutron sources.


9:00 Opening Remarks, Including APS and IPNS Capabilities

Fashion Sense Solves Crystal Structures
Maryjane Tremayne, University of Birmingham, UK

9:30 Solving Structures Using Charge-flipping Combined with the Tangent Formula
Alan Coelho, Brisbane, Australia

Reaching for High Resolution in Protein Powder Diffraction
Robert von Dreele, Advanced Photon Source, Argonne National Laboratory

10:25 Break
10:35 High-pressure Powder Diffraction: Opportunities and Pitfalls for Structure Analysis
Joe Hriljac, University of Birmingham, UK
11:05 Very High Energy Resonant Scattering for Solving Site Substitution Problems
Angus P. Wilkinson, Georgia Institute of Technology
11:30  Use of High-energy X-ray Microbeams for Phase and Strain Mapping
Jon Almer, Advanced Photon Source, Argonne National Laboratory
12:00 Lunch

Total Neutron Scattering: The Key to the Local and Medium-range Structure of Complex Materials
Thomas Proffen, Lujan Center, Los Alamos National Laboratory

2:00  X-ray Pair Distribution Function Methods: In situ Studies of Functional Materials
Karena Chapman, Advanced Photon Source, Argonne National Laboratory
2:30 Magnetic Frustration in YBaCo4O7+x: Chemical and Structural Tuning of a Kagomé Antiferromagnet
John Mitchell, Argonne National Laboratory
3:00 In situ Powder Neutron Diffraction: Oxide Ceramic Membranes in Oxygen Partial Pressure Gradients
James Richardson, Intense Pulsed Neutron Source, Argonne National Laboratory
3:30 In situ X-ray Diffraction Studies of Complex Metal Hydrides for Hydrogen Storage
Yan Gao, GE Global Research
4:00 Adjourn



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