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.