TiFe EXELFS Two Phase Co-Refinement Question
Hello, I am using Artemis to fit EXELFS data on a TiFe alloy. There are multiple interfaces between two phases (Im-3m, and P63/mmc) present in the data. I am attempting to co-refine using both phases to create a path list and using paths from both phases in the fit. My understanding of this process is that the software uses a linear combination of each path. However, that would imply that there is a weighting factor applied to each phase that would be correlated to the phase weight for that region. I was wondering if there is a way to determine what the weighting factors during a co-refinement to multiple phases are in Artemis, assuming my initial understanding of the co-refinement process is correct? Thanks for your time, Catrina Wilson Ph.D. Candidate The Ohio State University Doan-Nguyen Group and McComb Group Materials Science and Engineering Center for Electron Microscopy, 1305 Kinnear Rd., Columbus, OH 43212 (614) 643-3110 Office wilson.3981@osu.edumailto:wilson.3981@osu.edu / osu.eduhttp://osu.edu/ Pronouns: she/her/hers
Hi Catrina, I believe the weighting would/could be set using either the SO2 or N value. If the coordination is well known and reliable, you could create a variable x and (1-x) in So2 but of course, it could be more complicated. There are numerous examples of fitting two phases to a sample with a little googling. hope that helps, Chris ********************************************** Dr Christopher Patridge Associate Professor Dept of Chemistry SASE 315 716-829-8096 | patridgc@dyc.edu www.dyc.edu http://www.dyc.edu/ Social: Twitter http://www.twitter.com/drpatridgc
On Jun 10, 2021, at 1:51 PM, Wilson, Catrina
wrote: Hello,
I am using Artemis to fit EXELFS data on a TiFe alloy. There are multiple interfaces between two phases (Im-3m, and P63/mmc) present in the data. I am attempting to co-refine using both phases to create a path list and using paths from both phases in the fit. My understanding of this process is that the software uses a linear combination of each path. However, that would imply that there is a weighting factor applied to each phase that would be correlated to the phase weight for that region.
I was wondering if there is a way to determine what the weighting factors during a co-refinement to multiple phases are in Artemis, assuming my initial understanding of the co-refinement process is correct?
Thanks for your time, Catrina Wilson Ph.D. Candidate The Ohio State University Doan-Nguyen Group and McComb Group Materials Science and Engineering Center for Electron Microscopy, 1305 Kinnear Rd., Columbus, OH 43212 (614) 643-3110 Office wilson.3981@osu.edu mailto:wilson.3981@osu.edu / osu.edu http://osu.edu/ Pronouns: she/her/hers
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participants (2)
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Christopher Patridge
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Wilson, Catrina