ZrC Poential


I am working ZrC MD simulation on lammps and having hard time to find the potential for ZrC. Could anyone please help me to get the potential for ZrC or can suggest any way to get the potential file. Your help will be highly appreciated. Thank you.

Best regards

Md. Riaz Kayser
PhD Student

Multiscale Mechanics and Physics Lab

University of Texas at Arlington.

You need to search the literature to see what analytic

form of potential is appropriate for ZrC. Then see

if the potential is in LAMMPS. If it is something

like EAM, you can then search for the potential file

that has params for ZrC. The EAM doc page

tells you where to do that. The ReaxFF doc page

tells you where to do that for ReaxFF, etc.