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

Standard deviation of R value
by Erin Finley 11 Jan '19

11 Jan '19

Hello, I see in many publications the R value reported with a standard deviation. However, when I look at my resulting data from a fit I don't see one listed. I am still new to EXAFS research and so I am wondering where I can get this information. I am assuming I need to calculate it from another parameter I am just not sure which one. Thanks for your help! Cheers, -- Erin Finley PhD Candidate Brgoch Research Group Department of Chemistry University of Houston

4 3

Postdoc at CHESS
by Kenneth David Finkelstein 11 Jan '19

11 Jan '19

Would you please post the attached announcement of a Postdoc position at CHESS? Cornell High Energy Synchrotron Source (CHESS) at Cornell University is completing a major upgrade of its facilities and is seeking a Postdoctoral Associate interested in using x-ray spectroscopy to study biology, chemistry, materials science, and catalysis. Thank you, Ken Finkelstein

1 0

Unwanted rescaling of energy axis when importing ascii file into Athena (Demeter 0.9.26)
by Lukas Grote 09 Jan '19

09 Jan '19

Hello, I am reporting an apparent bug in Athena (Demeter 0.9.26, Windows 10). When I import high energy resolution XAS data from an ascii file, the energy axis is automatically rescaled to 1.2eV step size, thus drastically reducing the resolution of the data. When the imported data has energy steps larger than 1.2eV, no rescaling occurs. This issue may be similar to the one reported in March 2018 under the topic "Athena (Demeter 0.9.26) does not import all datapoints from ascci file". However, the issue I am seeing always results in 1.2eV steps in the imported data. If my original file hast 0.3eV steps, the number of points is reduced by a factor of 4. If it has 0.6eV steps, the number of points is reduced by a factor of 2. I couldn't find any option to switch this recaling on / off, or to change the target energy step size. The problem does not occur with Demeter 0.9.25. Attached please find two screenshots of the data import dialog for both versions of Demeter. The plots show the difference in energy scale. I also attached the original data file "no_rebin.dat" as well as spectra exported from both Demeter versions, one of them showing the 1.2eV steps. Thank you and all the best, Lukas -- Lukas Grote University of Hamburg Center for Hybrid Nanostructures Institute for Nanostructures and Solid State Physics Luruper Chaussee 149, Bld. 600, Room 2.62 22761 Hamburg Germany +49 40 42838 1614

3 2

Fwd: FW: Postdoctoral Research Associate positions
by Anatoly Frenkel 08 Jan '19

08 Jan '19

Dear IFEFFIT mailing list subscribers: Sharing this on behalf of colleagues. The MSEE EFRC at Brookhaven National Laboratory has two postdoctoral positions available immediately. Please find the advertisements with contact information in the attachments. Please forward this info to anyone you believe may be interested in this opportunity. While the both positions expect expertise in multiple methods, I was requested to pass it along to this list specifically because of the PI's interest to develop strong XAFS component for the purpose of this project. Regards, Anatoly ------------------------------------------------------------------- Anatoly I. Frenkel Stony Brook University *From:* Lee, Patricia A *On Behalf Of *Ecker, Lynne *Sent:* Tuesday, January 08, 2019 11:32 AM *Subject:* Postdoctoral Research Associate positions Dear Colleagues, We are seeking candidates for postdoctoral Research Associate positions within the Energy Frontier Research Center (EFRC) on Molten Salts in Extreme Environments at Brookhaven National Laboratory. Information about the positions is summarized below and two flyers are attached to this message. We would appreciate you sharing these opportunities with students, postdocs and other contacts. Please contact us if you have questions. Best regards, Lynne E. Ecker, Chair Nuclear Science and Technology Department Brookhaven National Laboratory Tel: (631) 344-2538 Email: lecker(a)bnl.gov James Wishart, Director, Molten Salts in Extreme Environments EFRC Brookhaven National Laboratory Tel: (631) 344-4327 Email: wishart(a)bnl.gov ***** The Energy Frontier Research Center on Molten Salts in Extreme Environments (EFRC/MSEE) at Brookhaven National Laboratory (BNL) is pleased to announce that we are hiring Postdoctoral Research Associates. These positions will be part of a collaborative, multi-institution team performing electrochemical, structural (x-ray and neutron), spectroscopic (optical and x-ray), kinetics, and computational studies of molten salt and solute structure, speciation and reactivity in the bulk and at interfaces. The MSEE Center’s scientific mission is to provide fundamental, atomic-level understanding of bulk and interfacial molten salts, and the effects of molten salt exposure on interfaces, in support of their use in molten salt nuclear reactors. To this end, we are developing novel in-situ synchrotron, electrochemical and electron microscopy techniques for investigating high-temperature molten salts. Two positions require a Ph.D. degree in chemistry, physics, materials science or a related field. The interdisciplinary research will focus on structural, spectroscopic, and electrochemical investigations of molten salts, solutes in them, and liquid-solid interfaces. A third position requires a Ph.D. degree in chemistry or a related field and primarily involves pulse radiolysis investigations of reaction kinetics in molten salts, in pure form and in mixtures containing other salts and metal ions. To find detailed descriptions of the position requirements and apply online, go to https://jobs.bnl.gov and search for “molten salts.” For Job ID 1411, hands-on experience in either X-ray diffraction, reflectivity, or spectroscopy is required. For Job ID 1419, demonstrated experience in electrochemical methods or working with molten salts is required. Experience with the chemical and physical properties of materials at high-temperature is highly desirable for both these positions. For Job ID 1564, experience with experimental, time-resolved studies of reaction kinetics and mechanisms is required and experience with pulse radiolysis or laser flash photolysis techniques is highly desirable. ***** *Patty Lee* *Administrative Assistant to * *Lynne E. Ecker, Chair* *Nuclear Science and Technology Department* *Brookhaven National Laboratory* *Building 817* *Upton, New York 11973* *(tel.) 631-344-7040* *(fax) 631-344-3957* *e-mail: patty(a)bnl.gov <patty(a)bnl.gov>*

1 0

Postdoctoral Research Associate positions
by Ecker, Lynne 08 Jan '19

08 Jan '19

Dear Colleagues, We are seeking candidates for postdoctoral Research Associate positions within the Energy Frontier Research Center (EFRC) on Molten Salts in Extreme Environments at Brookhaven National Laboratory. Information about the positions is summarized below and two flyers are attached to this message. We would appreciate you sharing these opportunities with students, postdocs and other contacts. Please contact us if you have questions. Best regards, Lynne E. Ecker, Chair Nuclear Science and Technology Department Brookhaven National Laboratory Tel: (631) 344-2538 Email: lecker(a)bnl.gov<mailto:lecker@bnl.gov> James Wishart, Director, Molten Salts in Extreme Environments EFRC Brookhaven National Laboratory Tel: (631) 344-4327 Email: wishart(a)bnl.gov<mailto:wishart@bnl.gov> ***** The Energy Frontier Research Center on Molten Salts in Extreme Environments (EFRC/MSEE) at Brookhaven National Laboratory (BNL) is pleased to announce that we are hiring Postdoctoral Research Associates. These positions will be part of a collaborative, multi-institution team performing electrochemical, structural (x-ray and neutron), spectroscopic (optical and x-ray), kinetics, and computational studies of molten salt and solute structure, speciation and reactivity in the bulk and at interfaces. The MSEE Center's scientific mission is to provide fundamental, atomic-level understanding of bulk and interfacial molten salts, and the effects of molten salt exposure on interfaces, in support of their use in molten salt nuclear reactors. To this end, we are developing novel in-situ synchrotron, electrochemical and electron microscopy techniques for investigating high-temperature molten salts. Two positions require a Ph.D. degree in chemistry, physics, materials science or a related field. The interdisciplinary research will focus on structural, spectroscopic, and electrochemical investigations of molten salts, solutes in them, and liquid-solid interfaces. A third position requires a Ph.D. degree in chemistry or a related field and primarily involves pulse radiolysis investigations of reaction kinetics in molten salts, in pure form and in mixtures containing other salts and metal ions. To find detailed descriptions of the position requirements and apply online, go to https://jobs.bnl.gov and search for "molten salts." For Job ID 1411, hands-on experience in either X-ray diffraction, reflectivity, or spectroscopy is required. For Job ID 1419, demonstrated experience in electrochemical methods or working with molten salts is required. Experience with the chemical and physical properties of materials at high-temperature is highly desirable for both these positions. For Job ID 1564, experience with experimental, time-resolved studies of reaction kinetics and mechanisms is required and experience with pulse radiolysis or laser flash photolysis techniques is highly desirable. ***** Patty Lee Administrative Assistant to Lynne E. Ecker, Chair Nuclear Science and Technology Department Brookhaven National Laboratory Building 817 Upton, New York 11973 (tel.) 631-344-7040 (fax) 631-344-3957 e-mail: patty(a)bnl.gov<mailto:patty@bnl.gov>

1 0

regarding installation
by mona gupta 23 Dec '18

23 Dec '18

respected sir/ma'amwhenever I use Athena / Hephaestus on the time of plotting derivatives ..its hangs and after some time it shows per interpreter is not responding,,, so it is not working properly, even I am puzzled.please give me quick reply facing such problem ..even reinstalled it.RegardsMrs Mona GuptaAssistant ProfessorDepartment of PhysicsGovt PG College KotdwarH N B Garhwal UniversityUttarakhand (India)

2 1

Looking of a K-edge spectrum of maghemite
by Lorenzo Stievano 17 Dec '18

17 Dec '18

Hi everybody, daes anybody have in his repository a Fe K-edge XAS spectrum of maghemite (gamma-Fe2O3)? I would need it as a reference material in a study on doped iron oxides. Thanks a lot in advance! Lorenzo

2 1

Question about k-weighting real-world practice and outcomes
by John Ferre 16 Dec '18

16 Dec '18

Dear EXAFS folk, I'm a graduate student in Jerry Seidler's group at the University of Washington, Seattle. I've been doing a numerical and experimental study on how to optimize k-weighting for EXAFS when the total experimental measurement time for a study is constrained, i.e., when you have 1 hour at some given I0 flux and your job is to get the best results, in terms of best fits or cleanest g(R). Can anyone aim me at 'famous' papers (or at least 'standard' papers) on the best use of k-weighting? Also, it would be great if people could informally email me how they, personally, do k-weighting and what their personal experience has been. My email is jbferre(a)uw.edu. Much appreciated! John

2 1

Re: [Ifeffit] Ifeffit Digest, Vol 190, Issue 9
by Christopher Chantler 15 Dec '18

15 Dec '18

Some of our papers explain how to avoid k-weighting and use the actual measured uncertainties to define a fit. Other papers by our group explain that a proper k-weighting would scale the value and the uncertainty by the same amount, so that the net fit should be unaffected. Otherwise this is more like a change of the effective k-range over the fit. -------------------------------------------------------------------------------------- Christopher Chantler, Professor, FAIP, Fellow American Physical Society Editor-in-Chief, Radiation Physics and Chemistry Chair, International IUCr Commission on XAFS; CIT, CCN IPP, International Radiation Physics Society School of Physics, University of Melbourne Parkville Victoria 3010 Australia +61-3-83445437 FAX +61-3-93474783 chantler(a)unimelb.edu.au<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> chantler(a)me.com<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> http://optics.ph.unimelb.edu.au/~chantler/home.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> ________________________________ From: Ifeffit <ifeffit-bounces(a)millenia.cars.aps.anl.gov> on behalf of ifeffit-request(a)millenia.cars.aps.anl.gov <ifeffit-request(a)millenia.cars.aps.anl.gov> Sent: Sunday, 16 December 2018 5:00:01 AM To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 190, Issue 9 Send Ifeffit mailing list submissions to ifeffit(a)millenia.cars.aps.anl.gov To subscribe or unsubscribe via the World Wide Web, visit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit or, via email, send a message with subject or body 'help' to ifeffit-request(a)millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner(a)millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. Question about k-weighting real-world practice and outcomes (John Ferre) ---------------------------------------------------------------------- Message: 1 Date: Fri, 14 Dec 2018 17:53:41 -0800 From: John Ferre <jbferre(a)uw.edu> To: ifeffit(a)millenia.cars.aps.anl.gov Subject: [Ifeffit] Question about k-weighting real-world practice and outcomes Message-ID: <CAN2QkxtgJYJsep0BHk3qKgqXu4nhcg-4GRBok_6c3SNfo1-jvA(a)mail.gmail.com> Content-Type: text/plain; charset="utf-8" Dear EXAFS folk, I'm a graduate student in Jerry Seidler's group at the University of Washington, Seattle. I've been doing a numerical and experimental study on how to optimize k-weighting for EXAFS when the total experimental measurement time for a study is constrained, i.e., when you have 1 hour at some given I0 flux and your job is to get the best results, in terms of best fits or cleanest g(R). Can anyone aim me at 'famous' papers (or at least 'standard' papers) on the best use of k-weighting? Also, it would be great if people could informally email me how they, personally, do k-weighting and what their personal experience has been. My email is jbferre(a)uw.edu. Much appreciated! John

1 0

Sn 2+
by Ditty Dixon 14 Dec '18

14 Dec '18

Dear All, Could someone please share Sn K edge spectra of any Sn(II) sample measured along with Sn metal foil. SnCl2 from Hephaestus seems miss-aligned and Farrel Lytle has only L edge data, Thank you, -- Dr. Ditty Dixon Ramanujan Faculty Electrochemical Power Source Division Central Electrochemical Research Institute (CSIR-CECRI) Karaikudi, India, 630003 Ph:00919400243084

1 0