November 2008 - Ifeffit - millenia.cars.aps.anl.gov

Co doped ZnO
by Guvenc Akgul (gakgul) 16 Nov '08

16 Nov '08

dear all, I have 10%Co doped ZnO EXAFS data and I would like to figure out :Co-Co distance in the 10%Co doped ZnO.what will i do for this?if you can help to me about this i will be very glad. thanks all guvenc

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Sealed Sample Cell
by Bhoopesh Mishra 12 Nov '08

12 Nov '08

Dear All, I am planning to conduct an EXAFS experiment which involves dealing with methyl mercury. Obviously, I want to be as cautious as I can in sealing the sample. In that connection, I am wondering if anyone on this forum can advise me regarding the best way to have a completely sealed (air tight) sample holder. My requirements are given below. Third requirement is not as important as the first two. 1. Sample cell (or the front and rear exit) should be made of low scattering material that would not attenuate photons too much at ~ 10-12 keV. 2. The sample cell should be a perfectly sealed, as gaseous phase methyl mercury or even di-methyl mercury could be produced in the cell. 3. I would like to inject solution using syringe in the sealed sample holder (if possible, this requirement is not necessary). Among several possibilities, I am thinking of designing a cuvette shaped rectangular box with a thin bottom section, and probably using some sort of polypropylene such that scattering is as low as possible. It should be easy to put two silicon rubber septa on the top. Other possibility could be using a thick Beryllium window (and please forgive my naivete' here - isn't there some restriction in using Be) on both the front and back of a rectangular or cylindrical box with rubber stopper at the top. The easiest and probably the best would be to have a commercially available sample cell that can serve my purpose. I don't know any commercially available product like that. But I suspect, people who work with volatile material and/or radioactive material might know a lot about it. If you know anything, please write me back. Any comments, suggestions, or criticism would be highly appreciated. PS: Sealing with kapton tape (or any other thin film) might not be enough in this case as gaseous phase methyl mercury might diffuse through kapton, and also air might diffuse through kapton making the inside of the cell environment aerobic while I need to do this experiment anaerobically. Thanks for your help! Bhoopesh

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problem on opening data file
by Ruoshuang Huang 11 Nov '08

11 Nov '08

Hello All, Recently I found that I could not open my EXAFS data files using Athena any more. Previously I had no problem using Athena to do data analysis (the last time was in last year). Now when I try to open a data file, a small window appears saying this file 'could not be read by ifeffit as a data file'. This happened to both the old data files that could be opened previously and new ones that were obtained recently. All the raw data were taken on beamline X10C at NSLS in the format of .xfs. I appreciate it if someone could help and give me some suggestions. I've attached one of my data files as an example. Thank you so much, Ruoshuang

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Athena's application
by abhijeet gaur 06 Nov '08

06 Nov '08

> I am doing my research work on EXAFS . For > that I am using the software ATHENA for analyzing my data > which my guide had brought from SSRL ( USA ) . But there is > some problem in that , Athena is taking the data and > plotting it but is not giving the required parameters. I am > sending you the copy of that data . So if you can go through > it and suggest me what is the problem , I wil be very > thankfull . > > > > > > > Did you know? You can CHAT without downloading > messenger. Go to http://in.webmessenger.yahoo.com/ Add more friends to your messenger and enjoy! Go to http://messenger.yahoo.com/invite/

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Synchrotron Environmental Science meeting, Dec 11-13th, 2008 San Francisco CA
by Peter Nico 06 Nov '08

06 Nov '08

Hello All, I thought some readers of this list might be interested in the Synchrotron Environmental Science meeting described below and at the following link. http://esd.lbl.gov/sesIV08/index.html Even if I do say so myself, I think its going to be a very interesting conference form both a synchrotron science and environmental science point of view. Plus, its always nice to go to California in the winter. :) Thanks. --Peter *Synchrotron Environmental Science IV (SES-IV) Meeting, December 11 -- 13, 2008* <http://esd.lbl.gov/sesIV08/> * PREREGISTRATION DEADLINE IS NOV 14!* After Nov. 14, registration fees will increase. Please register at: http://www.regonline.com/Checkin.asp?EventId=649848 *PROGRAM HIGHLIGHTS INCLUDE:* * Key note perspective talks on CO2 sequestration, atmospheric chemistry, environmental remediation science, and marine sciences from world-leading scientists, with emphasis on the potential roles of synchrotron techniques. * Talks on new and emerging synchrotron techniques * Talks on developments in data acquisition hardware and software * Hands-on sessions at SSRL and ALS beam lines for prospective and new users * Introductory-level talks for prospective and new users * Facility reports from North American synchrotron sources * Poster session * * *CONFERENCE HOTEL INFORMATION -- Lodging Deadline is NOVEMBER 14* The lodging deadline for the Conference Hotel is also November 14th, however space is limited and is not guaranteed. The $152.00/per night rate at the Westin is actually less than the Government allowable in San Francisco of $164.00. Also, our rate is even lower than that offered through AGU of $164/night. You may extend your stay through the entire AGU session. You can make your lodging reservations for the Conference hotel by visiting: http://esd.lbl.gov/sesIV08/accomodations.html * ** KEY DATES:* *Early Discount Registration Closes November 14, 2008 Discount Lodging Registration Closes November 14, 2008* SES IV Conference Dates December 11 -- 13, 2008 Hands on Sessions December 11, 2008 Poster Session Evening, December 12, 2008 *COMPLETE MEETING PROGRAM* The complete Synchrotron Environmental Science IV (SES-IV) 2008 Meeting agenda is available at: http://esd.lbl.gov/sesIV08/program.html As you will see, the conference has a very exciting program! *HANDS ON SESSION:* On Thursday, December 11, there will be a tour and hands on training at beam lines at ALS or SSRL See web for more details and to enroll: http://esd.lbl.gov/sesIV08/session.html *QUESTIONS?* Please direct all questions or comments to CAValladao(a)lbl.gov. Best Regards, SES-IV 2008 Organizing Committee

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Re: [Ifeffit] Ifeffit Digest, Vol 69, Issue 3
by Gudrun Bovenkamp 04 Nov '08

04 Nov '08

Dear Bruce, thanks for your detailed answer. I tried Athena, Arthemis and the Six Pack programs. For all these programs it was not possible to open a certain file or save a project to a certain location. I also tried as you wanted me to get some error messages through the DOS command console, but the program just ended and did not send any comment to the cmd! It seems as if it ended in a correct way. And: the problem occurred just recently. I was wondering if anyone else had this problem. But it did not seem so. I talked to my administrator....and he suggested to delete my profile and renew it. Now the problem is solved. It was something on my computer. I am so sorry that I bothered you with this. Thanks, anyway. You are just great! Lisa

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Fwd: ifeffit installation
by Makarand R. Gogate 04 Nov '08

04 Nov '08

--- the forwarded message follows ---

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Problem with new ifeffit version
by Gudrun Bovenkamp 03 Nov '08

03 Nov '08

Dear Matt, Bruce and Sam, I just installed the new ifeffit 1.2.11 version (including) update von my windows pc (OS windows xp). The program works fine so far, but when I want to open or save a file, project or xmu the program just ends (without any error message). The only way to use data is by loading recent files. Am I the only one with this problem? Thanks for your help, Lisa

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a big big thank-you
by Bosman, Eckhard 03 Nov '08

03 Nov '08

Hi, a few days ago I finished my diploma thesis (Modeling of XANES-Spectra). Now, the thesis is submitted and I want to thank you all very much for your great and quick help over the past months. I bring the odysseus explanation well to mind :-) Thanks a lot, Eckhard --- Eckhard Bosman eckhard.bosman(a)stud.uni-goettingen.de ecbo2000(a)gmx.de +49 (0)551-39-14441 Raum: E0.104 Institut für Röntgenphysik Friedrich-Hund-Platz 1 37077 Göttingen Germany

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XANES calculation at Al-L23 edge for gamma alumina by FEFF8
by Daesung Park 02 Nov '08

02 Nov '08

hi everyone, I want to calculate XANES at Al-L23 edge for gamma alumina. It was knon that gamma alumina has a defected spinel structure. There are 4- and 6-coordinated aluminium atoms by oxygen in the structure. And 16.77% vacancies exist at 6-coordinated aluminium stie. For calculating XANES, I produced randomly vacancies in the input file. And then I calculated XANES for two different crystallographic sites, since they have different surroundings. Finally, spectra calculated were weighted to reproduce total spectrum. However, I could not get similiar total spectrum comparing to experimental one. Maybe can someone help me to calculate Al-L23 edge for gamma alumina? Best regards Daesung Park

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