[Ifeffit] How to input atoms in solid solution for Artemis

coordination number N cannot be refined in this simple system (12), is that right? In fact I just want to get the N through the fitting of EXAFS because of the partial occupancy. Thank you very much Fuxiang Zhang ___ Ifeffit mailing list Ifeffit

Re: [Ifeffit] How to input atoms in solid solution for Artemis

e pure Ni but you may want to consider both fcc and bcc > structure for making the model because the alloy may end up to be either > that or that, especially if it is a nanoalloy. > > Anayoly > > > > Sent from my Verizon Wireless 4G LTE Tablet > > > ---- Origi

Re: [Ifeffit] How to input atoms in solid solution for Artemis

d a little difference in the R and deltr. Which results should I believe, or something wrong I am using the program because I cannot generate different R for Ni-Ni and Ni-Fe pairs with the same data set. Many thanks for your suggestions and helps. Fuxiang Zhang On Thu, Jun 23, 2016 at 4:23 PM, Sc

Re: [Ifeffit] How to input atoms in solid solution for Artemis

Thank you all for the help. Fuxiang On Thu, Jun 23, 2016 at 10:19 PM, Matt Newville wrote: > Fuxiang, > > > On Thu, Jun 23, 2016 at 4:47 PM, Fuxiang Zhang wrote: > >> Hi, Scott, >> >> In fact, I have a series of single crystal Ni-Fe alloys (Fm-3m) with >>

[Ifeffit] Questions about fitting of EXAFS

value of Kmax; 3. How to make refinement equation for multi-scattering paths? Such as in NiFe alloys (simple fcc structure), the path [Ni-FM-3m] Fe1.1 Ni1.4 Fe1.1., I use 0.67*Efe+0.33*Eni for DeltaE0, and 0.67*ssFe1+0.33*ssNi4 for sigma2, is that right? Many thanks Fuxiang Zhang

Re: [Ifeffit] Questions about fitting of EXAFS

Thank you all for the answers. The Kmax effect on the shape of magnitude of FTs of one of my samples may come from the low signal/noise ratio. I still not sure if there's any physical meaning of DeltaE0, Does it relate to the shift of absorption edge? Fuxiang On Thu, Aug 4, 2016 at 1:35 PM, Scott

[Ifeffit] E0 problem

Hi, All I have a problem about E0. It seems that E0 has great effect on the R(x) and the fitting. Can anyone explain how Athena automatically find the E0 value from an EXAFS spectrum. Sometimes the value is not at the peak of derivative of u(E), shall it be corrected manually? Thanks Fuxiang

[Ifeffit] XEAFS fitting problems

selection of k range in Fourier transformation Parameters seems to have some effect on the fitting results, how to select the range in order to get reasonable results. Many thanks Fuxiang Zhang ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov

Re: [Ifeffit] Bond length and Coordination number problems from EXAFS

) are within > reason for what one > would expect from sums of atomic radii. > > Hope this helps get you pointed in the right direction as you refine your > model. > > cheers, > Robert > > > > > On 2/20/2017 10:57 AM, Fuxiang Zhang wrote: > > Dear All, &

Re: [Ifeffit] Silent Oxygen

/003414.html > > Looking at your chi(k), it seems usable, charitably, up to about 8 A-1, > not to 12 A-1 as your > window suggests you have used. Claims of being able to resolve small > splittings > with this data will be viewed with skepticism. > > -R. > > On 4/18/20