Dear all,
I recently have difficulty in processing the synchrotron radiation (λ=0.6887 nm) XRD data by Jade 6. I’m looking forward to some kind advices.
My samples are Ti-55531 alloys. The “.chi” files have been converted to “.txt” and “.mdi” ones which are compatible with Jade 6. At this stage, I am able to open the files in Jade 6, switch the target option from “Cu” to “US” on the top left corner, and input 0.6887, as shown in Fig. 1.
After clicking OK, I retrieved Ti as the only possible element and added the standard pattern of “Ti, PDF#44-1288, Im-3m (229)” into my XRD pattern. As shown in Fig. 2, huge peak difference is observed between standard PDF card (vertical lines in yellow) and the experimental results.
Could you please help me with this issue in analyzing synchrotron XRD results in Jade 6? Your kindness will be highly appreciated!
Dear Wenbin Qiu ,
it seems that Shi Huang could be on the right track.
You should check the wavelength/photon energy calibration of your synchrotron set up. However about 5% error is quite large and the angular offset should increase for a 'wrong' wave length when going to larger 2theta.
So play around with the wave length and see whether all peaks end up at their right positions as given by the standard card.
When looking closer to the angular distances one can see that the 0,8° value is a quite constant angular shift for all peaks.
So you might have got an angular offset of your diffractometer. May be due to a non perfect height adjustmant of the sample surface with respect to the primary beam.
Good luck
But Shi Huang ,
for about 5% change in lattice constant (and thus d) what temperature or pressure do you need?
Imagine you have a thermal expansion of about 10-5/°C; so you need about 5000°C for 5% expansion....
And what is about the direction? 2theta is increased (+0,8deg), so the d-spacing is decreased compared to the reference. Cooling down about 5000°C?
And -5% due to compressive stress/pressure?
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