May 2012 - Ifeffit - millenia.cars.aps.anl.gov

third cumulant
by JeongEunSuk 07 May '12

07 May '12

Hello I measured temperature-dependent EXAFS at Pt L3 edge with Pt nanoparticles in room and high temperature(400 C). I have some questions about thermal vibration in EXAFS fit. I read that third and fourth culmulants related with phase and amplitude in anharmonic term, respectively. especially, I concerned third culmulant to relate with phase. As you know, the phase also relates with bonding length. So that, the bonding length between Pt-Pt pair considerably correlated with third culmulant. So I can't decide exact bonding length and third culmulant because their correlation. I think that the relation of both bonding length and third culmulant is similar to that of number and debye-waller factor. Is it right to find bonding length and third culmulant like finding number and debye-waller factor using k-weight?

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Re: [Ifeffit] (no subject)
by Anatoly I Frenkel 07 May '12

07 May '12

It sounds like a good idea but you will still need to know whether the best fit results for the bond length and third cumulant are correct. Since they are expected to vary widely for different cluster sizes and different substrates and different atmospheres, you should first try to see if your method will work for a more simple system where you know what the bond length and third cumulant should be, i.e. bulk Pt. Besides, you may find something similar to what you are proposing in Bus and v.Bokhoven's article. Anatoly Sent from my mobile phone, please forgive typos -----Original message----- From: JeongEunSuk <eunsuk1986(a)hotmail.com> To: ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Sent: Mon, May 7, 2012 04:02:06 GMT+00:00 Subject: [Ifeffit] (no subject) Hello I measured temperature-dependent EXAFS at Pt L3 edge with Pt nanoparticles in room and high temperature(400 C). I have some questions about thermal vibration in EXAFS fit. I read that third and fourth culmulants related with phase and amplitude in anharmonic term, respectively. especially, I concerned third culmulant to relate with phase. As you know, the phase also relates with bonding length. So that, the bonding length between Pt-Pt pair considerably correlated with third culmulant. So I can't decide exact bonding length and third culmulant because their correlation. I think that the relation of both bonding length and third culmulant is similar to that of number and debye-waller factor. Is it right to find bonding length and third culmulant like finding number and debye-waller factor using k-weight?

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(no subject)
by JeongEunSuk 07 May '12

07 May '12

Hello I measured temperature-dependent EXAFS at Pt L3 edge with Pt nanoparticles in room and high temperature(400 C). I have some questions about thermal vibration in EXAFS fit. I read that third and fourth culmulants related with phase and amplitude in anharmonic term, respectively. especially, I concerned third culmulant to relate with phase. As you know, the phase also relates with bonding length. So that, the bonding length between Pt-Pt pair considerably correlated with third culmulant. So I can't decide exact bonding length and third culmulant because their correlation. I think that the relation of both bonding length and third culmulant is similar to that of number and debye-waller factor. Is it right to find bonding length and third culmulant like finding number and debye-waller factor using k-weight?

1 0

How to use ATOM on this file?
by Wei Li 06 May '12

06 May '12

Hello, Bruce, I have a *.cif, in which structure contains Zn and Al in the same site but diferent ratio. I cannot use ATOM to build a cluster for Feff. I am wonder if you could figure this out. Thanks in advance! best wishes yours Wei Li -- Wei Li Postdoc researcher Environmental Soil Chemistry Group Delaware Environmental Institute University of Delaware, Newark,19713 Tel:631-949-0663 http://ag.udel.edu/soilchem/li.html <http://ag.udel.edu/soilchem/>

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mailing list spam
by Bruce Ravel 04 May '12

04 May '12

Hi everyone, As you saw, a bit of unwanted email slipped through the various layers of spam filtration that protect the Ifeffit mailing list. It is a bit of a mystery how this one got through. Most messages from companies with spam-generation business models do, in fact, get discarded. Happily, this sort of thing has been a relatively rare event. Matt has done an amazing job over the years of keeping the signal to noise ratio very high on the this mailing list. Hopefully that bit of noise won't be repeated. Regards, Bruce -- Bruce Ravel ------------------------------------ bravel(a)bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel

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Invitation to connect on LinkedIn
by Jun LIN via LinkedIn 04 May '12

04 May '12

LinkedIn ------------ Jun LIN requested to add you as a connection on LinkedIn: ------------------------------------------ Ifeffit, I'd like to add you to my professional network on LinkedIn. - Jun Accept invitation from Jun LIN http://www.linkedin.com/e/o6ijfu-h1t9l58n-2b/qduvo2QRI4F0un7ciuz8AHbr3EkWav… View invitation from Jun LIN http://www.linkedin.com/e/o6ijfu-h1t9l58n-2b/qduvo2QRI4F0un7ciuz8AHbr3EkWav… ------------------------------------------ Why might connecting with Jun LIN be a good idea? Jun LIN's connections could be useful to you: After accepting Jun LIN's invitation, check Jun LIN's connections to see who else you may know and who you might want an introduction to. Building these connections can create opportunities in the future. -- (c) 2012, LinkedIn Corporation

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