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Real Space Atomic Pair Distribution Function Analysis TutorialMay 11, 2008MESA Ballroom B, Hilton Santa Fe, starting at 9:30amObtaining structure of materials with significant disorder or diffuse scattering is difficult using conventional crystallographic approach, yet knowing the structure is important to better understand their properties. In such cases, a real-space atomic pair distribution function (PDF) analysis based on total scattering approach may reveal new information. This tutorial is intended to introduce the PDF technique to students and researchers. This straightforward powder diffraction technique can be used to analyze data collected at neutron or synchrotron experiments, or from laboratory x-ray sources, to obtain local structure information. This will be a one-day hands-on workshop introducing the technique and demonstrating how to obtain and analyze diffraction data to obtain a real-space PDF. Workshop attendees will obtain from a USB key all the computer codes required to analyze the data to obtain the PDF (PDFgetN, PDFgetX2) and to carry out full-profile modeling (PDFgui). They will then work through a number of examples of data modeling on the computer using the program PDFgui. To do the hands-on part attendees should have their own laptop, with Windows XP. Usage of Windows Vista or Unix/Linux may be possible, but should be discussed with the organizers well in advance.
We thank all the participants for taking their time and attending the tutorial. |
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