Hello dear researchers!
I am working on a Fe35Ni35Cr20Mo5Al5 alloy for my thesis. Unfortunately, the alloy lacks an eam/meam pair potential for my simulations. I tried to couple an eam setfl potential for the FeNiCrCoAl alloy and replaced Co with Mo using a Lennard-Jones potential. I coupled the LJ with the eam using the Lorentz-Berthelot method. Also, I had to place Mo at the end so I could cross pair it to the rest of the elements. But to my knowledge, there is no paper (or I couldn’t find any) doing this for a single bulk alloy. How can I make a reliable potential file for my alloy so I can at least get a reliable conventional tensile curve from it?
fenicrcoal-1.eam (1.8 MB)
perfect_fenicralmo.docx (13.6 KB)
These are the tensile results I got from it at 77K and 300K with the strain rates of 2e-4 and 1e-3.
Thanks in advance;