Dear all,
I am trying to calculate Glass transition temperature for Cu62Zr38 alloy system. In the literature people calculated it using a parameter which is Rwa = Gmin/Gmax i.e. ratio of first minima to first maxima of RDF and the plot is Rwa vs Temperature. For this alloy they took RDF at each temperature in interval of 100 while cooling down say from 1800K to 200K, can any one tell how can it be done ? because doing it manually is cumbersome.
Thanks in advance
Regards
Anik S
Dear all,
I am trying to calculate Glass transition temperature for Cu62Zr38 alloy
system. In the literature people calculated it using a parameter which is
Rwa = Gmin/Gmax i.e. ratio of first minima to first maxima of RDF and the
plot is Rwa vs Temperature. For this alloy they took RDF at each temperature
in interval of 100 while cooling down say from 1800K to 200K, can any one
tell how can it be done ? because doing it manually is cumbersome.
well, how about writing a script to do it?
shouldn't be too difficult. after all, you know the general structure
of the data, could fairly easily narrow down the minimum/maximum bins,
then do a suitable polynomial fit and get refined numbers through
newton-raphson. should be a little fun python project.
axel.