Hello, I am seeking your help to share the EAM potential file for the WC-Co, W-W, W-C, W-Co, C-C, C-Co, and Co-Co models. Thank you very much for considering my request and for your willingness to assist.
I don’t think that any of the people that regularly respond here spend time on parameterizing potentials.
Thus the first place to look for potentials is the published literature.
My gut feeling is, however, that your compound has enough directional interactions that EAM is not sufficient to describe the interactions well. So, more likely, you will have to look for a set of MEAM potential parameters or something else like some machine learning potential. That would also mean that your chances are slim to find such a potential, since it is difficult and/or laborious to do. So you may be left with either finding a different subject of study or having to learn how to properly parameterize potentials first.
Thank you so much for your suggestion.
Hello again,
Following your suggestion, I referred to similar study papers (Redirecting) and managed to obtain the potential parameters for WW, WC, WCo, CC, CCo, and CoCo, as shown below. These parameters appear to closely align with ABOP parameters.
My question is: Do I need to convert these ABOP parameters to ABOP potential and then to Tersoff potential, or how should I use them for my LAMMPS analysis?
Thank you very much for considering my request and for your willingness to assist.
