The workshop aims to bring existing and potential POWGEN users together and train them on comprehensive data analysis of time-of-flight neutron powder diffraction data.
POWGEN is a general-purpose high-resolution powder diffractometer, playing a pivotal role in an extensive array of research endeavors within the fields of chemistry, materials science, and magnetism. The workshop’s primary objective is to equip attendees with essential skills to get the most from POWGEN data. The tutorials will cover the basics of neutron diffraction and total scattering techniques, Rietveld refinement of long-range crystal and/or magnetic structures, and pair distribution function analysis of local structure. Advanced data processing methods to deal with event-based data and pixel-by-pixel neutron absorption corrections on POWGEN data will also be covered. The tutorials will include software packages GSAS-II and PDFgui, with breakout sessions using FullProf and TOPAS. The workshop will also offer an opportunity for existing POWGEN users to get help from the POWGEN team to work through any obstacles they may have encountered and move forward with their data analysis.
The 2.5-day workshop is free and the DEADLINE to register is Wednesday, September 13, 2023. Attendance will be limited to 40 participants to ensure the effectiveness of the hands-on learning. Preference will be given to active and future US facility users engaged in neutron diffraction and total scattering.
Topics covered:
- Basics of neutron powder diffraction and pair distribution function analysis
- Introduction to POWGEN, advanced sample environments and related science cases
- Hands-on data analysis, including:
- Structural refinement with GSAS-II, FullProf
- Joint refinement on synchrotron X-ray and POWGEN diffraction data using GSAS-II
- Commensurate magnetic structural determination with GSAS-II
- Commensurate and incommensurate magnetic structural determination with FullProf
- Data analysis using TOPAS, covering indexing, individual peak fitting, Rietveld method, difference Fourier maps distort modes (parallel sessions with FullProf tutorials)
- Small box modeling with PDFgui
- Advanced data visualization and reduction techniques – event filtering, absorption correction, data reduction process, etc.
Organizers:
Qiang Zhang, Alicia Manjón Sanz, Cheng Li, Yuanpeng Zhang, Melanie Kirkham and Thomas Proffen
Advised by:
Clarina dela Cruz and Matt Tucker
