My 0.533 Rouble: In my experience with some Mn oxides, the Mn-O FT magnitude
peak's position is 0.5 A lower its corresponding 1NN bond length, while the
Mn-Mn are 0.3 A lower than their bond lenghts. Thus, it would be misleading
for this and other similar compounds to apply theoretical phase
These references may be useful as the answers to both why and how.
http://pubweb.bnl.gov/users/frenkel/www/PTRU/ptru.pdf
http://pubweb.bnl.gov/users/frenkel/www/PTRU/evolution.pdf
By average, do you mean average betwee the A-B and A-A first nearest
neighbor coordination numbers? They should not
If you mean that your S02 value for platinum foil is 0.53 instead of the
expected 0.85 or so, you have to first find out why that happened. There are
too many (for a quick list) setup-related and sample-related reasons that
can explain why it happened. You should be careful with your NP data
I would remeasure Pt foil in transmission, by all means.
Anatoly
-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] Behalf Of Juan
Antonio Macia Agullo
Sent: Tuesday, December 05, 2006 1:32 PM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] CN and bond
that data.
Unfortunately, the Newville database doesn't have it,
and I don't think I do. Anatoly, surely you must have done Pt foil? Yes, I
know it's best to measure everything on the same
beamline, but it's
not essential.
mam
- Original Message -
From: Anatoly Frenkel [EMAIL
Dear JA,
For the record, I don't recall saying anything to the effect that S02 =
0.2 is close to the case of Pt nanoparticles - which would be wrong since
the smallest number for 13 atom particles is that of the cuboctahedron:
5.54. Thus, the ratio of 5.54 and 12 makes it 0.46. That means, if S02
A totally unrelated joke: If anyone ever watched Da Ali G show on HBO,
there was an episode, when Ali G interviews a famous economics professor.
The first question was: Professor, what is a PIN code?
A.
-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] Behalf Of
It is true that in many cases oxidation/reduction affects the low k-range
behavior in chi(k), but if the second shell (metal-metal) frequency is not
affected, the data can still be aligned by focusing at the high k-portion of
the data, so what Shelly suggested, may be, in principle, done.
Anatoly
It is probably because I know Bruce for so long that I give almost identical
replies to my students who email me: Dr. Frenkel, I tried to solve a
homework problem but it did not work. What did I do wrong?
Anatoly
-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On
that you know to model things that you
don't know. Reading papers by the folks who answer questions on this
list (Scott Calvin, Shelly Kelly, Anatoly Frenkel, Paul Fons) is a
really good source of ideas for your own work with IfeffitArtemis.
B
--
Bruce Ravel
My observation (not rigorously tested though): the longer it takes to get a
good fit, the more suspicious are the results!
Anatoly
-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] Behalf Of Richard
Mayes
Sent: Wednesday, May 02, 2007 8:56 AM
To: XAFS Analysis using
Have you measured Fe edge in this alloy, and if yes, have you tried to fit
the data measured from both Fe and Cr edges simultaneously? I would do it
first, without varying the mean free path. It will definitely reduce
correlations between N and ss2, which seems to be a problem here. Whether or
not
finalized), or collaborate with someone experienced on the list. As Scott
Calvin is reasonably close to Yale, he may be your best bet. If you are
willing to expand your radius and travel to Brookhaven for a few days, my
postdoc Adele Wang could help too.
Regards,
Anatoly
Anatoly Frenkel
Yeshiva
in general, I hope the SCC-Forum
list will be a useful resource for you. Any comments, please let me know.
Anatoly
Anatoly Frenkel, Professor
Department of Physics, Yeshiva University
245 Lexington Avenue, New York, NY 10016
http://www.yu.edu/faculty/afrenkel
Spokesperson, Synchrotron
Richard,
I tried with Athena v50 and Artemis v007 and it worked (the data were
ported correctly). I do not think it is version dependent.
The data that you save in Athena are ported to Artemis with 0
k-weighting, so you have to manually set your k-weighting in artemis if
you want to match the
bit of advice I can give you is to read the papers written by
the names you see on the Ifeffit mailing list. The folks who offer
answers to question on the list are also some of the best
practitioners of EXAFS analysis using Feff. Although it might seem
funny to read papers by Anatoly Frenkel
Attached is a brainteaser which I think is cute. Too late for the April
fool's day but still...
Some comments: three consecutive scans of the same sample were taken in
this order: scan 1, 2 and 3. Duration: 30 minutes per scan.
If these data look unusual to you please tell us why and what
It is fixed below the edge, so ln(I0/It) decreases as observed. With
this explanation, and noting that ln(I0/It)
decreased by about 0.05 in an hour, I infer that the stored-beam
lifetime is ~20hr.
mam
- Original Message -
From: Anatoly Frenkel mailto:[EMAIL PROTECTED]
To: [EMAIL
should have
replied privately to give others a chance to weigh in, or put ***spoiler
warning - possible solution in the subject line. My
apologies to all!
mam
- Original Message -
From: Anatoly Frenkel mailto:[EMAIL PROTECTED]
To: 'Matthew Marcus' mailto:[EMAIL PROTECTED] ; [EMAIL
I think this answer is as good as the correct one! Anatoly.
-Original Message-
From: Woicik, Joseph [mailto:[EMAIL PROTECTED]
Sent: Friday, April 04, 2008 3:28 PM
To: [EMAIL PROTECTED]
Subject: RE: Brainteaser
oh, i got it, you right clicked when you should have left clicked.
Bruce and all:
Congratulations on the funding!
Anatoly
-Original Message-
From: Ravel, Bruce [mailto:[EMAIL PROTECTED]
Sent: Friday, May 16, 2008 10:08 AM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] 2008 APS XAFS School
On Wednesday 14 May 2008 13:39:48 Matt
Sebastiano:
Sounds like a martensitic transition since it depends on the annealing
time. Thus, as Bruce wrote, XANES and EXAFS may be expected to be
different, due to the different lengths scales - if the boundaries of
local fcc regions are small. Another origin of this discrepancy in x and
y
Khalid, what you can do is to note how much the higher energy (at energy E1)
feature is shifted from what you think it should be (let's say by the amount
of D eV), provided that you fixed the lower energy point to what you wanted
(say, E0). Then, you should transfer the data into a spreadsheet and
Dear Echkard,
I wish your thesis has a smooth journey between the Scilla and Charybdis on
your committee,
Anatoly
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of Bosman,
Eckhard
Sent: Monday, November 03, 2008 12:05 PM
To: ifeffit@millenia.cars.aps.anl.gov
Subject:
of detector signals).
It is not likely that norm2 (xmu) will give the same results as
norm2(norm1(xmu)), although the differences may be small. That is the
reason, I think, Athena does not allow any ex post factum normalization to
the normalized data.
Anatoly Frenkel
Stony Brook University
On Oct 15,
Dear Matthew and all,
The link can be copied directly to the browser URL field and it will work:
https://www.bnl.gov/exafs2017/
If NEXAFS spectra in some materials can be theoretically modeled as reliably as
some XANES spectra in some materials then most methods that we will present
should
Dear subscribers:
Please share with your group members or others, who may be interested, the
following information about the short course on XAFS spectroscopy:
Title: *Data Analysis and Modeling of XANES and EXAFS Spectra. Applications
to Nanomaterials*
Dates: *November 1-3, 2017*
Location:
yang Technological University
>
>> On Sat, Jul 29, 2017 at 3:43 AM, Anatoly Frenkel
>> <anatoly.fren...@stonybrook.edu> wrote:
>> Dear subscribers:
>>
>> Please share with your group members or others, who may be interested, the
>> following information
Dear Colleagues:
Please share with your group members or others, who may be interested, the
following information about the short course on XAFS spectroscopy:
Title: *Data Analysis and Modeling of XANES and EXAFS Spectra. Applications
to Nanomaterials*
Dates: *November 1-3, 2017*
Location:
I think (in agreement with Matt's comment) that if the standards are not
known to be calibrated to the same energy scale then LCA may not be as
useful if done in energy space. But, depending on the problem of course,
there could be a good spectral contrast between the data not only in energy
but
Weizi,
Self absorption occurs in the transmission measurement of the powder
because it is a concentrated sample and it has to be exceedingly well made
to eliminate the thickness effect. Because it was shown in your previous
email to be lower than the film that decrease in intensity was caused by
Self absorption.
There was a similar question a few weeks ago.
Anatoly
Sent from my iPhone
> On Jun 22, 2017, at 11:11 AM, Weizi Yuan
> wrote:
>
> Dear all,
> I have measured some spectra of a CeO2 film(~200nm) grown on Yittria
> stablized Zirconia(YSZ)
... and if the random alloy is a nanoparticle, the equations are modified
(they will be the same as in Qingying's email in the bulk alloy limit and
if the NPs are sufficiently large).
See here, Eq. (11), for more details:
Chem. Soc. Reviews *41*, 8163-8178 (2012)
It is all self-absorption (over-absorption) that explains the difference. Ce 3+
will appear as a separate shoulder below the first peak and there is no
evidence of this contribution in the spectra.
These effects, including the difference between the spectra of the powder and
film CeO2 due to
Dear all:
Resending the previous message: we are still accepting applications through Sep
8.
Regards,
Anatoly
> On Jul 28, 2017, at 3:43 PM, Anatoly Frenkel <anatoly.fren...@stonybrook.edu>
> wrote:
>
> Dear subscribers:
>
> Please share with your group me
Cute animation. I will now think of dynamic Jan Teller distortion every
time I see a flying pigeon.
Anatoly
On Wed, May 9, 2018 at 10:41 AM, Abdul Ahad
wrote:
> hi all
> How to include this model in atom that is 4+2 or 2+4 for 2short or 4 long
> bond length of
Don,
I am sure that Paul Northrup (north...@bnl.gov) will help - he was the
beamline scientist at X15B and is likely to have the standards you need.
Anatoly
---
On Fri, Jun 8, 2018 at 9:54 AM, Don Baker wrote:
> Hello All,
>
>
Make it 1 in the N window and make amp*N expression in the S02 window
instead. Then use N as a coordination number (fix or vary it).
Anatoly
---
Anatoly I. Frenkel
Professor
Department of Materials Science and Chemical Engineering
Please pass this info along to those who may be interested in this
opportunity:
There is an opening for a postdoctoral research associate in my group. The
postdoc will be stationed in Brookhaven National Laboratory and work as a
member of a multi-institution team to develop and apply new methods
Will the data from the compositions shown in this paper be useful?
https://cpb-us-east-1-juc1ugur1qwqqqo4.stackpathdns.com/you.stonybrook.edu/dist/b/1881/files/2016/10/BaFeSe-EXAFS-y9zet9.pdf
Anatoly
Hi Folks,
>
> Does anyone have a near-edge spectrum of FeSe2, Se K-edge, they could
> share?
>
It is an effect of inhomogeneity of the sample, that is, the variation in
the metal density throughout the X-ray beam footprint.
Anatoly
On Thu, Nov 1, 2018 at 5:34 PM Raj kumar wrote:
> Dear All,
>
> I have monitored the growth process of YbVO4 nanoparticles using EXAFS.
> Here,
in the mix to give it’s complex berry character and the 2016 is
> supposedly better.
> How about we take some samples to the lab ... ?
>
> John
>
>
>> On Thu, Nov 1, 2018 at 16:07 Anatoly Frenkel
>> wrote:
>> I thought this mailing list is an appropria
ey.edu.au
>> simon.ja...@florey.edu.au
>>
>>> On 2 Nov 2018, at 10:11 am, Leandro Acu wrote:
>>>
>>> I want one! Nothing better for a long synchrotron night!
>>>
>>> Enviado desde Yahoo Mail para Android
>>>
>>> El jue.
Ifeffit digest..."
>>
>>
>> Today's Topics:
>>
>>1. Re: Bump/oscillating pattern at high energies of EXAFS
>> (Anatoly Frenkel)
>>2. Re: Bump/oscillating pattern at high energies of EXAFS
>> (Matthew Marcus)
>>3. EXAFS
After 15 years or so of using Athena, I just accidentally learned that the
vertical scale of the plot can be changed by simply turning the scroll
wheel of the mouse!
Anatoly
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
Enyuan,
Here are the rutile and anatase spectra with the corresponding Ti foil
spectrum.
I will send you the name of a student who collected the spectra for
acknowledgement when you need it.
Anatoly Frenkel
On Fri, Nov 23, 2018 at 10:08 PM Enyuan Hu wrote:
> Hi all,
>
> Can any
Thank you so much, Robert and Bruce!
Anatoly
> On Nov 17, 2018, at 12:12 PM, Robert Gordon wrote:
>
> CdS Mu(E) measured in FLY on 20BM in 2013...no simultaneous reference for
> energy calibration through...sorry...
>
>> On Sat, Nov 17, 2018 at 8:58 AM Anatoly Frenkel
&
Dear all - if someone could share raw Cd K-edge data of CdS, it would be
really helpful!
Thank you,
Anatoly Frenkel
___
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Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Unsubscribe: http
As an additional comment, it is a murky issue whether the reported thing
together with R is the standard deviation. It is not easy to find it in the
literature but there are some papers dating back to the 1990s that state
that the uncertainties reported in the EXAFS fitting results correspond to
Laboratory, with primary
technique being X-ray absorption fine structure. This position will be in
Stony Brook University (located in close proximity to Brookhaven), under
the supervision of Prof. Anatoly Frenkel. Responsibilities will include
setting up new in situ operations for testing novel
, with primary
technique being X-ray absorption fine structure. This position will be in
Stony Brook University (located in close proximity to Brookhaven), under
the supervision of Prof. Anatoly Frenkel. Responsibilities will include
setting up new in situ operations for testing novel materials under
Are they equally smart?
Anatoly
> On Aug 13, 2019, at 9:39 PM, Mike Massey wrote:
>
> Hi Everyone,
>
>
> I'm curious, has anyone ever tried turning two analysts loose on the same
> unknown EXAFS spectrum to see if their fits come out with similar
> conclusions? If you have tried it, how
Dear subscribers:
The info about the XAFS2019 short course at BNL is here:
https://www.bnl.gov/xafs2019/
The application page is open.
Best,
Anatoly
---
Anatoly I. Frenkel
Professor
Department of Materials Science and Chemical
Stony Brook University address, with a subject line: Postdoc in
heterogeneous catalysis.
Thank you,
Anatoly Frenkel
Professor
Department of Materials Science and Chemical Engineering
Stony Brook University
Stony Brook, NY 11794, Ph: 631-632-2751
Email: anatoly.fren...@stonybrook.edu
<ht
And where is its treasurer? :)
Anatoly
> On Jan 29, 2020, at 7:59 PM, Bare, Simon R wrote:
>
>
> Talking of websites does anyone know what happened to the International XAFS
> website? I can’t access it. And what is going on with this organization?
> Thanks.
>
> Simon
>
>
Matthew,
In the paper by Purans et al that George references, they showed that the
FEFF fitting method and ratio method agreed, and in the ratio method the
amplitudes and phases are extracted from experimental standards, just as in
your paper.
Anatoly
On Sat, Apr 11, 2020 at 2:21 PM Matthew
Dear Chris (if you are reading this),
Do you know when the Rad. Phys. Chem. issue with the latest XAFS conference
proceedings will be finalized and published online? It currently shows
"corrected proofs" but not the articles with pages.
Perhaps, it is a bad time to follow up and I am sorry for
Dear mailing list subscribers:
Please pass this information along to your group members or others who may
be interested in this.
As it has done every year since 2005, on* Nov. 18-20, 2020*, Synchrotron
Catalysis Consortium (SCC) will run an annual short course on X-ray
absorption fine structure
Please pass this info to anyone interested in this opportunity,
particularly, those students who are about to obtain their PhD and looking
for postdoctoral fellowships. This one may be suitable for those who plan
to use data science approaches for interpreting XANES and EXAFS data and
apply them
It is a nice demonstration that |χ(R)| is not equal to |χ1(R)|+ |χ2(R)| +
... |χn(R)|.
It is equal to: |χ1(R) + χ2(R) + ... χn(R) |. The latter is most often
smaller than the former, according to the Cauchy-Schwarz inequality.
Anatoly
On Wed, Sep 23, 2020 at 8:58 AM Ashwini Kumar Poswal <
...Basically, you need to sum different paths in k-space, save as chi(k),
then import to Athena, perform FT in the same range as your data, and then
the result should be the same as obtained in Artemis for the fit vs data.
That will preserve the phase relationships between different paths, while
I thought I share a really good idea I found in someone's fit project that
was shared with me.
Instead of varying deltaR and then doing something like: "after R_final =
2.79 + deltaR" to have Artemis calculate the actual bond length (and then
looking for its uncertainty in the list of guess
Dear subscribers:
As it does every year in the Fall, Synchrotron Catalysis Consortium at
Brookhaven National Laboratory will run a short course from November 17 to
19 at BNL. As in the last year, when it gathered 80 participants, it will
be virtual, and the course will be limited to 80 registered
aph, it is hard to tell whether or not the x-axes are the same... And if
> you are processing data from someone else, you may not know whether or not
> they were collected with the same energy step settings.
>
> Best,
> Soyoung
>
> On Fri, Oct 8, 2021 at 3:24 PM Anato
It is not a bug. When groups have unique energy axes they should be saved in
different files.
Anatoly
> On Oct 8, 2021, at 6:19 PM, Soyoung Kim wrote:
>
>
> Dear Bruce and IFEFFIT community,
>
> Hope all is well. I found a bug with Athena's file export function. I had two
> normalized
I think that the variability of S02 between different samples, detection
methods etc. may or may not be a big concern for you if 1) the error bars
in the CNs (that you are not reporting) are larger than the difference in
their mean values (that you are reporting), and/or 2) larger than the
Hello, all:
Registration deadline for the EXAFS-50 symposium (Sep. 10) is approaching.
Please see the announcement below.
Regards,
Anatoly
On Mon, Aug 21, 2023 at 10:58 AM Anatoly Frenkel <
anatoly.fren...@stonybrook.edu> wrote:
> Dear subscribers:
>
> Sharing here my Linkedin
Dear subscribers:
Sharing here my Linkedin post:
I am excited to share that Brookhaven National Laboratory will be hosting
the Symposium ("EXAFS-50") that will mark the 50th anniversary of
Stern-Sayers-Lytle team's introduction of the Extended X-ray Absorption
Fine Structure (EXAFS) technique in
Only evaporation temperature, when XANES spectrum disappears…:)
Anatoly
> On Nov 21, 2022, at 10:20 AM, Gabriele GAROFALO
> wrote:
>
> Hi everyone,
>
> I'd like to estimate the temperature of some samples from some XANES spectra,
> is there a way to do that? I couldn't find an answer in
Fluorescence or transmission?What is the Cu concentration? Could be self absorption. AnatolyOn Apr 21, 2023, at 9:31 PM, Joel Brugger wrote:Dear list,We are trying to fit EXAFS from data collected on solutions within a capillary. The capillary has OD 1mm, ID 0.8mm, and was placed horizontally.
Capillary made or what?AnatolyOn Apr 21, 2023, at 9:52 PM, Joel Brugger wrote:Fluo, 0.5 wt% Cu.
On 22 Apr 2023, at 11:41 am, Anatoly Frenkel <anatoly.fren...@stonybrook.edu> wrote:Fluorescence or transmission?What is the Cu concentration? Could be self absorption. AnatolyOn Apr 21, 2023, a
Joyti,
The coordination number of Rh-C bonds is defined as the total number of
Rh-C bonds in the sample divided by the total number of Rh atoms in the
sample.
Anatoly
---
Anatoly I. Frenkel
Professor
Department of Materials Science
Dear subscribers,
Please save the date for the two back-to-back, *in-person*, events:
EXAFS-50 symposium (Oct. 30-31) and annual EXAFS short course (Nov. 1-3,
2023), both to be run at Brookhaven National Laboratory. While the usual
format of our short courses is Wednesday through Friday, this
Hello, all. It is a low- to medium- level brain teaser.
Pt-coated collimating mirror was in place for Pd K-edge measurement, but Au
L3-edge of Pd-Au alloy was measured (for testing purposes). I0 and It
detectors were both Ar filled ionization chambers. Because of the energy
dependence of
t the 333 reflection (for Si), intentionally
> working at the 3rd harmonic. In that case, if the fundamental isn't filtered
> out, you could get just what we see, with the sample doing the filtering
> before the beam gets to the transmission chamber.
>mam
>
>> On 6/14
en drop at the end?
>
> Could it be that the I0 chamber is misaligned so that beam is scraping one of
> the plates? That could cause all sorts of odd things to happen.
>mam
>
>> On 6/14/2023 5:27 PM, Anatoly Frenkel wrote:
>> Hello, all. It is a low- to medium-
Professor of Physics
>> Professor of Mechanical, Materials, and Aerospace Engineering
>> Editor, Applied Surface Science
>> Illinois Institute of Technology
>> 3101 S. Dearborn St.
>> Chicago IL 60616
>> 630-252-9708
>>> On Jun 14, 2023, at 7:27 PM, Anatoly Fr
Dear colleagues:
Please share this info with your students and postdocs. The application
deadline is Aug. 31.
https://www.bnl.gov/xafscourse/
Remember to state your expertise with EXAFS data analysis and modeling in
the application.
Regards,
Anatoly
Dear subscribers:
The information about the upcoming XAFS short course is here:
https://www.bnl.gov/xafscourse/
The course will be taught in-person. The place in the course is limited,
and, due to the emphasis on advanced methods, the preference will be given
to those participants who have
ity/Pt/21.45/2.5/10/s/1000/51000/50/platinum/linearwhich is both interactive and works with X-ray energies above 30 keV.On Wed, Jun 14, 2023 at 7:28 PM Anatoly Frenkel <anatoly.fren...@stonybrook.edu> wrote:Hello, all. It is a low- to medium- level brain teaser.Pt-coated collimating mirror
interactive and works with X-ray energies above 30 keV.On Wed, Jun 14, 2023 at 7:28 PM Anatoly Frenkel <anatoly.fren...@stonybrook.edu> wrote:Hello, all. It is a low- to medium- level brain teaser.Pt-coated collimating mirror was in place for Pd K-edge measurement, but Au L3-edge of Pd-Au
vs 12 keV might also factor in. If you were
> not deliberately detuning but the crystals were slightly misaligned, the
> harmonic content may change significantly over the scan range. I would
> not guess that to dominate, but maybe it factors in.
>
>
> On Thu, Jun 15, 2023
That question reminds me of a Russian riddle:
In each corner of a room there is a cat. In the eyes of each cat there are
three cats. On the tail of each cat there is a cat. How many cats are there?
Anatoly
> On May 15, 2023, at 7:09 PM, Soyoung Kim wrote:
>
>
> Dear all,
>
> While fitting
Hi Qiang,
There are many papers analyzing Pt SACs on ceria and many of them are able
to provide good evidence of Pt-O-Ce coordination. See for example Fig. 5d
in this paper and the discussion of the model and fit results.
M. Kottwitz, Y. Li, R. M. Palomino, Z. Liu, Q. Wu, G. Wang, J. Huang, J.
Dear subscribers:
Please pass it along to your group members who may be interested in this
opportunity.
In continuation of the annual tradition at the Synchrotron Catalysis
Consortium (SCC) at Brookhaven National Laboratory to organize and run XAFS
short courses there since 2005, we are planning
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