Dear users
I have been trying to use MEAM parameters to calculate fusion temperatures
of several crystals. For Al and Mg, everything is fine and the calculated
temperatures are within 100K of the experimental ones but Cu is really far
awy (more than 800K). Therefore, I was wondering if any of you have used
the Cu parameters as they are in the Meam library in LAMMPS.
I am really surprised by this difference and, unless I am doing a silly
mistake; I am coming to believe that it is a problem of the
parametrization. By the way, to calculate the temperatures of all crystal
systems, I have used the same script and I did only change the atom meam
parameters.
Thanks in advance!!
-Jaz.