Hello everyone,
can anyone help in carrying out the rietveld analysis using the X pert high score plus and also help me in calculating the weight percentage of austenite and martensite?
Dear Jayant Gopal Thakare :
1. Open the XRD rawfile (.xrdml) in Xpert Highscore plus software.
2. Go to treatment, then do determine background. Change the granularity as per the plot. Select OK
3. Then go to treatment again and do search peaks, mostly all peaks will be picked up by the software then click OK.
4. If some peaks are not picked in previous step the manually add peaks by CTRL+R
5. Go to Refinement control and global variables and the select Pseudo Voigt fitting and also select split width and shape.
6.Then go to treatment and do fit profile. Do it 2-3 times till the peak gets fitted nicely.
7: Go to analysis-->search and match, go to restriction and choose the elements from the periodic table in your material and then select the add to rest none of option.
8. Accept the patterns corresponding to the top 3 most intense peaks and with a higher score.
9. Then select all the accepted patterns and right click on it and convert "pattern to phases"
10. Then perform the Rietveld analysis and it will give the values in wt.%.
11. Not that this is automatic rietveld profile fitting however there is a semi-manula and manual mode too, where a better fitting can be obtained by tailoring the parameters.
Alternatively try using FullProf and MAUD software too and compare the results obtained for the ease of better repeatabilty and confidence.
Hope it helps
Regards
GM
In addition the colleagues wrote you before,I recommend you that before the step
9, from Mr. Gourav Mundhra ...Then select all the accepted patterns and right click on it and convert "pattern to phases" ... You could also check the peaks and how was its fit,and you can decide if you prefer imput manually CIF data from structure of austenite and martensite that you have studied or known before the quantification. The fit of your peaks depend of the type of austenite and martensite (there are several possibilities and different CIF files from austenite and martensite in COD database , for example.... So, you would be sure about the type of that minerals phases that you have present in your experiment and It would be better to use more similar as possible as your experiment sample (sometimes the automatic search and match can be out of real experiment)
Good luck Jayant Gopal Thakare
Thankyou Doriana Vinci , Gourav Mundhra , and Mario Ramírez Fernández
The latest version of HighScore Plus i.e version number 4.9 has added a number of new algorithms which are useful in doing refinement properly. One of them is using the Spherical harmonics function to fit preferred orientation effects which results in intensity rations being different than random orientation. There are many more. If you are interested in knowing more, we have some seminars available for yourself at https://www.malvernpanalytical.com/en/learn/ and specifically https://www.malvernpanalytical.com/en/learn/events-and-training/webinars/W131121WhatsNewInHighScorePlus
Some upcoming webinars can also be useful:
https://www.malvernpanalytical.com/en/learn/events-and-training/webinars/W20200702XRD?
https://www.malvernpanalytical.com/en/learn/events-and-training/webinars/W20200728XRD.html
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