[Ifeffit] in situ liquid cell

[Renato Canha Ambrosio]

Dear Colleagues,

I need to perform XAFS measurements microemulsions (liquid). 
As I do not have a liquid cell for the in situ XAFS measurements, I would 
like to know more about liquid cells. 
Could anyone shoot its cell and send me the photo? 
I am designing a cell where you optimize the edge 
jump by modifying the optical path.
Thank you very much for your kind attention 
Renato Canha Ambrosio



---------- Original Message -----------
From: ifeffit-request at millenia.cars.aps.anl.gov
To: ifeffit at millenia.cars.aps.anl.gov
Sent: Thu, 22 Mar 2007 17:45:00 -0500
Subject: Ifeffit Digest, Vol 49, Issue 14

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> Today's Topics:
> 
>    1. Re: EXAFS reference materials (Frenkel, Anatoly)
>    2. Re: EXAFS reference materials (Scott Calvin)
>    3. Re: EXAFS reference materials (Frenkel, Anatoly)
>    4. Some more questions (Shantanu Behera)
>    5. Re: Some more questions (Bruce Ravel)
> 
> ----------------------------------------------------------------------
> 
> Message: 1
> Date: Thu, 22 Mar 2007 15:28:55 -0400
> From: "Frenkel, Anatoly" <frenkel at bnl.gov>
> Subject: Re: [Ifeffit] EXAFS reference materials
> To: <rh2rr at virginia.edu>
> Cc: Ifeffit at millenia.cars.aps.anl.gov
> Message-ID:
> 	<0D9ED6BC247DA847A3855B6726D6E34421854C at exchangemb1.bnl.gov>
> Content-Type: text/plain;	charset="iso-8859-1"
> 
> Hi Ruoshuang,
> 
> I am cc'ing this email to IFEFFIT mailing list. There are several 
> reasons (I am listing just a few) you should measure a reference 
> sample simultaneously with unknown materials.
> 
> 1) to align the unknown sample scans prior to merging. If those data 
> are noisy, reference sample can be used for the alignment. In 
> addition, if you want to compare samples before and after some 
> changes that may affect their energy positions (e.g., oxidation, 
> reduction, doping, metal-insulator transition, etc.) you want to 
> align all of their references to reliably analyze these changes.
> 
> For this purpose, it does not matter whether you use a metal or a 
> metal oxide or any other standard with the same resonant element.
> 
> 2) to find S02 value. It is usually the same in most samples which 
> have the same resonant element.
> 
> For this purpose, what matters the most is whether you can reliably 
> find S02 from your standard (and then impose it on your unknown 
> sample). Thus, some exotic reference which may still be good for 1)
>  may not be as good for 2) since it may be difficult to refine its 
> structure and get precise value for S02. The metals would be the 
> best, but if you have other materials with "open lattices", e.g.,
>  fcc, rock salt, etc., with well defined first shell that you can 
> fit with the miniumum parameters, they will all work fine.
> 
> 3) to use as a model for your analysis.
> 
> If you analyze an alloy, as in your case, you want to compare EXAFS 
> results in your alloys against those in relevant pure compounds. For 
> binary alloys, the best reference will be a pure metal, for ternary -
>  an intermetallic compound, etc. An oxide would not be so useful for 
> modeling. For that reason, people often measure more than one 
> reference, as per 1),2) and 3).
> 
> Hope it helps,
> 
> Anatoly
> 
> ________________________________
> 
> From: rh2rr at virginia.edu [mailto:rh2rr at virginia.edu]
> Sent: Thu 3/22/2007 2:54 PM
> To: Frenkel, Anatoly
> Subject: EXAFS reference materials
> 
> Dear Dr. Frenkel,
> 
> I'll do EXAFS on metallic glass but I am not sure about the reference
> materials. [...]
> We are trying to study structural relaxation of metallic glass by 
> EXAFS. My samples are Al-TM-RE (TM=Fe,Co,Ni, RE=Gd,Ce,Y). Because Ce 
> and Y are easily oxidized in air, some people suggest use cerium 
> oxide and yttrium oxide as reference materials. My question is: when 
> I do EXAFS measurement and data analysis, is METAL necessary for 
> reference materials, or METAL OXIDE is fine as reference?
> 
> Your kind help would be greatly appreciated.
> 
> Ruoshuang Huang
> 
> -------------------
> Ruoshuang Huang
> Research Associate
> Materials Science and Engineering
> University of Virginia
> Phone: 434-982-0238
> Fax: 434-982-5799
> 
> ------------------------------
> 
> Message: 2
> Date: Thu, 22 Mar 2007 15:48:31 -0400
> From: Scott Calvin <SCalvin at slc.edu>
> Subject: Re: [Ifeffit] EXAFS reference materials
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <0JFB006RXLO7QHX0 at mta3.srv.hcvlny.cv.net>
> Content-Type: text/plain; charset=us-ascii; format=flowed
> 
> Hi Ruoshuang,
> 
> Following up on Anatoly's excellent post, I would say that I 
> personally distinguish between a "reference" and a "standard."
> 
> When I talk about a reference, I usually mean something I'm 
> measuring simultaneously with the sample. The primary purpose is 
> energy alignment, although it also gives a check on beam quality 
> issues 
> (e.g. harmonics). For this purpose, I generally use whatever is 
> convenient and well known, such as a metal foil. Sometimes I'll 
> measure the reference by itself, particularly if it's a beamline or 
> edge that is new to me.
> 
> On the other hand, I think of a standard as a known compound that is 
> similar to my sample. I often work with nanoparticles, so my 
> standard might be the corresponding bulk material. Or if I'm working 
> with a doped compound, the standard might be the undoped version. 
> The standard is measured under the same conditions as the 
> sample...in fact, that means that I measure the standard with a 
> reference in place, if that makes sense. :)
> 
> So I use a reference for Anatoly's purpose (1) and a standard for 
> Anatoly's purposes (2) and (3).
> 
> I hope that's helpful.
> 
> --Scott Calvin
> Sarah Lawrence College
> 
> At 03:28 PM 3/22/2007, you wrote:
> >Hi Ruoshuang,
> >
> >I am cc'ing this email to IFEFFIT mailing list. There are several 
> >reasons (I am listing just a few) you should measure a reference 
> >sample simultaneously with unknown materials.
> >
> >1) to align the unknown sample scans prior to merging. If those data 
> >are noisy, reference sample can be used for the alignment. In 
> >addition, if you want to compare samples before and after some 
> >changes that may affect their energy positions (e.g., oxidation, 
> >reduction, doping, metal-insulator transition, etc.) you want to 
> >align all of their references to reliably analyze these changes.
> >
> >For this purpose, it does not matter whether you use a metal or a 
> >metal oxide or any other standard with the same resonant element.
> >
> >2) to find S02 value. It is usually the same in most samples which 
> >have the same resonant element.
> >
> >For this purpose, what matters the most is whether you can reliably 
> >find S02 from your standard (and then impose it on your unknown 
> >sample). Thus, some exotic reference which may still be good for 1) 
> >may not be as good for 2) since it may be difficult to refine its 
> >structure and get precise value for S02. The metals would be the 
> >best, but if you have other materials with "open lattices", e.g., 
> >fcc, rock salt, etc., with well defined first shell that you can fit 
> >with the miniumum parameters, they will all work fine.
> >
> >3) to use as a model for your analysis.
> >
> >If you analyze an alloy, as in your case, you want to compare EXAFS 
> >results in your alloys against those in relevant pure compounds. For 
> >binary alloys, the best reference will be a pure metal, for ternary 
> >- an intermetallic compound, etc. An oxide would not be so useful 
> >for modeling. For that reason, people often measure more than one 
> >reference, as per 1),2) and 3).
> >
> >
> 
> ------------------------------
> 
> Message: 3
> Date: Thu, 22 Mar 2007 16:03:34 -0400
> From: "Frenkel, Anatoly" <frenkel at bnl.gov>
> Subject: Re: [Ifeffit] EXAFS reference materials
> To: "XAFS Analysis using Ifeffit" <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID:
> 	<0D9ED6BC247DA847A3855B6726D6E34421854F at exchangemb1.bnl.gov>
> Content-Type: text/plain; charset="iso-8859-1"
> 
> Thanks, Scott! - Good point.
> A.
> 
> ________________________________
> 
> From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of Scott Calvin
> Sent: Thu 3/22/2007 3:48 PM
> To: XAFS Analysis using Ifeffit
> Subject: Re: [Ifeffit] EXAFS reference materials
> 
> Hi Ruoshuang,
> 
> Following up on Anatoly's excellent post, I would say that I
> personally distinguish between a "reference" and a "standard."
> 
> When I talk about a reference, I usually mean something I'm measuring
> simultaneously with the sample. The primary purpose is energy
> alignment, although it also gives a check on beam quality issues
> (e.g. harmonics). For this purpose, I generally use whatever is
> convenient and well known, such as a metal foil. Sometimes I'll
> measure the reference by itself, particularly if it's a beamline or
> edge that is new to me.
> 
> On the other hand, I think of a standard as a known compound that is
> similar to my sample. I often work with nanoparticles, so my standard
> might be the corresponding bulk material. Or if I'm working with a
> doped compound, the standard might be the undoped version. The
> standard is measured under the same conditions as the sample...in
> fact, that means that I measure the standard with a reference in
> place, if that makes sense. :)
> 
> So I use a reference for Anatoly's purpose (1) and a standard for
> Anatoly's purposes (2) and (3).
> 
> I hope that's helpful.
> 
> --Scott Calvin
> Sarah Lawrence College
> 
> At 03:28 PM 3/22/2007, you wrote:
> >Hi Ruoshuang,
> >
> >I am cc'ing this email to IFEFFIT mailing list. There are several
> >reasons (I am listing just a few) you should measure a reference
> >sample simultaneously with unknown materials.
> >
> >1) to align the unknown sample scans prior to merging. If those data
> >are noisy, reference sample can be used for the alignment. In
> >addition, if you want to compare samples before and after some
> >changes that may affect their energy positions (e.g., oxidation,
> >reduction, doping, metal-insulator transition, etc.) you want to
> >align all of their references to reliably analyze these changes.
> >
> >For this purpose, it does not matter whether you use a metal or a
> >metal oxide or any other standard with the same resonant element.
> >
> >2) to find S02 value. It is usually the same in most samples which
> >have the same resonant element.
> >
> >For this purpose, what matters the most is whether you can reliably
> >find S02 from your standard (and then impose it on your unknown
> >sample). Thus, some exotic reference which may still be good for 1)
> >may not be as good for 2) since it may be difficult to refine its
> >structure and get precise value for S02. The metals would be the
> >best, but if you have other materials with "open lattices", e.g.,
> >fcc, rock salt, etc., with well defined first shell that you can fit
> >with the miniumum parameters, they will all work fine.
> >
> >3) to use as a model for your analysis.
> >
> >If you analyze an alloy, as in your case, you want to compare EXAFS
> >results in your alloys against those in relevant pure compounds. For
> >binary alloys, the best reference will be a pure metal, for ternary
> >- an intermetallic compound, etc. An oxide would not be so useful
> >for modeling. For that reason, people often measure more than one
> >reference, as per 1),2) and 3).
> >
> >
> 
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> 
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> ------------------------------
> 
> Message: 4
> Date: Thu, 22 Mar 2007 18:18:59 -0400
> From: "Shantanu Behera" <skbehera at gmail.com>
> Subject: [Ifeffit] Some more questions
> To: ifeffit at millenia.cars.aps.anl.gov
> Message-ID:
> 	<3eb5c0380703221518i263e0917v320926050ddb4a13 at mail.gmail.com>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
> 
> Dear Ifeffiters
> 
> I have some more questions.
> 
> 1. There is a k-weight button in the background removal column in
> Athena. How's that used and what's its significance?
> 
> 2. Assume that I have collected data up to 14k, and I see that the
> signal beyond 12k is very noisy. I want to use the data up to 12k and
> within that data range pick a F-filter window of 2-10k or 3-10k. How
> do I go about this? Can I do  that with the spline range (in k or E)
> options in bkg removal (Athena) column?
> 
> I have gone through Bruce's documentations and have some sense, but
> not quite clear. Would appreciate your help.
> 
> Warm regards.
> Shan
> 
> -- 
> |||||||||||||||||||||||||||||||||
> Shantanu Behera
> Center for Advanced Materials and Nanotechnology
> Lehigh University
> 5, East Packer Avenue
> Bethlehem, PA 18015, USA
> 
> ------------------------------
> 
> Message: 5
> Date: Thu, 22 Mar 2007 17:48:02 -0500
> From: Bruce Ravel <bravel at anl.gov>
> Subject: Re: [Ifeffit] Some more questions
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <200703221748.02629.bravel at anl.gov>
> Content-Type: text/plain;  charset="iso-8859-1"
> 
> On Thursday 22 March 2007 17:18, Shantanu Behera wrote:
> > 1. There is a k-weight button in the background removal column in
> > Athena. How's that used and what's its significance?
> 
> The background removal algorithm involves a Fourier transform to
> R-space in an effort to optimize the low-frequency components by
> varying the parameters of the spline.  The k-weight you are asking
> about is the k-weight used in that FT.
> 
> Setting that k-weight to 2 or 3 can sometimes help with data that has
> very little or no signal at high k by penalizing the spline for not
> staying close to the data.  A word of caution, though -- high
> k-weight values for the background removal can have surprising
> interactions with large values of the high-end spline clamp.
> 
> > 2. Assume that I have collected data up to 14k, and I see that the
> > signal beyond 12k is very noisy. I want to use the data up to 12k and
> > within that data range pick a F-filter window of 2-10k or 3-10k. How
> > do I go about this? Can I do ?that with the spline range (in k or E)
> > options in bkg removal (Athena) column?
> 
> You can restrict the range of the background removal then Fourier
> transform over the entire remaining range.  Or you can remove the
> background over the entire data range and restrict the FT using the 
> FT kmax parameter.  In principle, those should be equivalent 
> although the latter seems like a better and more flexible solution.  
> In practice, real data sometimes works better with a restricted 
> background removal range.  The only way to know is to try both and 
> see.  Hopefully, Athena does a good job of allowing you to try 
> looking at your data in several different ways quickly and efficiently.
> 
> HTH,
> B
> 
> -- 
>  Bruce Ravel  ---------------------------------------------- bravel at anl.gov
> 
>  Molecular Environmental Science Group, Building 203, Room E-165
>  MRCAT, Sector 10, Advance Photon Source, Building 433, Room B007
> 
>  Argonne National Laboratory         phone and voice mail: (1) 630 
> 252 5033 Argonne IL 60439, USA                                fax: 
> (1) 630 252 9793
> 
>  My homepage:    http://cars9.uchicago.edu/~ravel 
>  EXAFS software: http://cars9.uchicago.edu/~ravel/software/
> 
> ------------------------------
> 
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
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> 
> End of Ifeffit Digest, Vol 49, Issue 14
> ***************************************
------- End of Original Message -------