Advanced Neutron Powder Diffraction Analysis with TOPAS
September 24-27, 2024
Spallation Neutron Source, Building 8600
Agenda as of September 17, 2024
Tuesday, September 24, 2024 - RM- AG-06-7 |
17:00 pm – Registration, Spallation Neutron Source (SNS) Bldg, 8600, Lobby 6:00 pm – Reception 6:00 pm - 8:00 pm – Software installation, set up posters, RM- AG-06-7 and lobby
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Wednesday, September 25, 2024 - RM- AG-06-7 |
8:00 am – Registration, Spallation Neutron Source (SNS) Bldg, 8600, Lobby 9:00 - 9:15 am – Welcome (Matt Tucker) 9:15 - 10:15 am – Introduction of powder diffraction method (Cora Lind-Kovacs) 10:15 am -10:45 am – Group photo and Coffee break 10:45 am -12:00 pm – Introduction of whole pattern fitting (touch on both Le Bail and Pawley) and Rietveld refinement (Cora Lind-Kovacs) 12:00 – 1:00 pm – Working lunch, lunch talk- Introduction of TOPAS (GUI and Launch mode) (Nate Henderson) 1:00 - 1:30 Convolutions in TOPAS (Nate Henderson or Adam Corrao) 1:30 – 3:00 pm – Peak fitting, pattern indexing (short theory intro + hands-on), Pawley fit (Saul Lapidus) 3:00 – 3:30 pm - Coffee break 3:30 – 5:30 pm – Structure solution and Rietveld in TOPAS - (Nate Henderson) 5:30 pm - 7:30 pm – Dinner, Poster
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Thursday, September 26, 2024 - RM- AG-06-7 |
8:30 - 9:15 am – Introduction of neutron powder diffraction method (Cheng Li) 9:15- 10:15 Hands-on Part 1- Time-of-flight powder neutron diffraction data analysis – Script (Alicia Manjon Sanz and Cheng Li) 10:15 - 10:45 am – Coffee Break 10:45 - 12:00 pm – Hands-on Part 2 - Constant wavelength powder neutron diffraction data analysis - GUI and Script (Athena Chen) 12:00 - 1:00 pm – Working Lunch, lunch talk- neutron powder diffraction data reduction (Yuanpeng Zhang)
1:00 - 3:00 pm – Hands-on Part 3 - Complex structure refinements (Jue Liu and Cheng Li) 3:00 - 3:30 pm – Coffee Break 3:30 - 5:30 pm – Hands-on Part 4 - Sequential and parametric structure refinements (Jue Liu, Peter Khalifah and Adam Corrao) 5:30 - 7:30 pm – Dinner talk- Automatic Rietveld refinement (Marshall McDonnell)
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Friday, September 27, 2024 - RM- AG-06-7 |
8:30 am - 9:15 am – Introduction of pair distribution function (PDF) method (Kate Page) 9:15 am – 10:15 am - Analyzing neutron PDF and diffuse scattering data in TOPAS (Jue Liu) 10:15 - 10:45 am – Coffee Break 10:45 - 12:00 pm – Hands-on Part 5 – Neutron PDF data analysis in TOPAS (Jue Liu) 12:00 - 1:00 pm –Topic: Working Lunch, lunch talk- Adventures in non-ambient powder diffraction (Angus Wilkinson) 1:00 - 3:00 pm – Time with instructors and work on own data part 1 3:00 - 3:30 pm – Coffee Break 3:30 - 5:00 pm – Time with instructors and work on own data part 2 5:00 pm – School Ends |
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We plan to prepare workshop materials in the format of Dropbox folder for distribution to each registered participant and forming the starting point of online tutorials.
We may offer a Friday afternoon SNS or HFIR tour (van reserved for those who want to visit HFIR)! |
