Hi For those of you that are not aware, Q2XAFS2017 (the International Workshop on Improving Data Quality in XAFS Spectroscopy) is taking place at Diamond Light Source near Oxford, which is where the spires dream, on 14/15 August this summer. See http://www.q2xafs2017.com/ for details / registration Although the abstract deadline is currently listed as 5th June, it will be shortly extended to early July. We hope to see you in England Regards Fred J.F.W. Mosselmans Principal Beamline Scientist I18 Diamond Light Source Ltd Diamond House Harwell Campus Didcot OX11 0DE P + 44 1235 778568 M + 44 7785510211 E fred.mosselmans@diamond.ac.uk orcid.org/0000-0001-6473-2743 [cid:image002.png@01D27563.28EDA240] -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom
Hi everyone, I am fitting a standard material scorodite. The fitting results are pretty good, but the S02 is around 1.2 when the k range = 4-13.5. Is this result reasonable? Please see the attached files. Best regards, Shaofeng -------------------------------------- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaofeng@iae.ac.cn www.iae.cas.cn
Dear everyone, Could experts explain the relationship between sigma2 and atomic distance of same two atoms? Best regards, Shaofeng -------------------------------------- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaofeng@iae.ac.cn www.iae.cas.cn From: Shaofeng Wang Sent: Friday, June 02, 2017 4:32 PM To: XAFS Analysis using Ifeffit Subject: [Ifeffit] a question about S02 Hi everyone, I am fitting a standard material scorodite. The fitting results are pretty good, but the S02 is around 1.2 when the k range = 4-13.5. Is this result reasonable? Please see the attached files. Best regards, Shaofeng -------------------------------------- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaofeng@iae.ac.cn www.iae.cas.cn -------------------------------------------------------------------------------- _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
I imagine they could, yes. Motivation to do so is another question entirely.
Considering myself more of an experienced amateur, and a fan of the
Socratic Method, let me ask you a few questions:
What do you currently understand about the relationship between two atoms
in a material and the mean square relative displacement
(i.e. sigma^2) associated with the distance between them?
What does it mean to have a mean-square-displacement? ..and then a
mean-square-relative displacement?
How would correlated, anti-correlated and uncorrelated relative motion
affect the msrd?
Now extend this thinking to an ensemble of atoms.
What might you expect to be the source of a msrd in a perfect crystal at
finite temperature?
What additional contribution may result from imperfections?
On Wed, Jun 7, 2017 at 7:12 PM, Shaofeng Wang
Dear everyone,
Could experts explain the relationship between sigma2 and atomic distance of same two atoms?
Best regards,
Shaofeng
-------------------------------------- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaofeng@iae.ac.cn www.iae.cas.cn
*From:* Shaofeng Wang
*Sent:* Friday, June 02, 2017 4:32 PM *To:* XAFS Analysis using Ifeffit *Subject:* [Ifeffit] a question about S02 Hi everyone,
I am fitting a standard material scorodite. The fitting results are pretty good, but the S02 is around 1.2 when the k range = 4-13.5. Is this result reasonable? Please see the attached files.
Best regards,
Shaofeng
-------------------------------------- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaofeng@iae.ac.cn www.iae.cas.cn
------------------------------ _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
participants (3)
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fred.mosselmans@diamond.ac.uk
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Robert Gordon
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Shaofeng Wang