Potential for Bulk metallic glasses - Cu29Zr32Ti15Al5Ni19 and Zr67Cu10.6Ni9.8Ti8.8Be3.8


I am currently trying to work on molecular dynamic simulations of bulk metallic glasses. I’m finding it difficult to identify the Interatomic potential for Cu Zr Ti Al Ni and Cu Zr Ti Ni Be based systems. Can anyone suggest me how to find the interatomic model for this system?

Can https://openkim.org/id/MEAM_LAMMPS__MD_249792265679_001 be be used for Cu Zr Ti Al Ni system?

Short of learning how to derive potential parameters from scratch on your own, all you can do is: search the published literature for publications that have studied the same or similar compounds, check out what parameters they used, look up the original publication(s) describing those, see what the scope of those parameters is, make careful tests and then make an informed decision. This is how research works, and when you plan to study something less frequently studied, it will take more effort.

Thank you. I have done the literature search and couldn’t find the appropriate potential.

A relevant literature I found on Cu Zr Ni Ti Al system is Deformation behaviors of Cu29Zr32Ti15Al5Ni19 high entropy bulk metallic glass during nanoindentation - ScienceDirect

which mentions potential is eam but does not provide any details nor cited the exact eam potential used. There are literatures and potential files available on metallic glass tertiary systems like Cu Zr Al etc. (Cheng et al) however potential files for 5 atom systems like Cu Zr Ni Ti Be and Cu Zr Ni Ti Al were difficult to find which brings me here.

This is the wrong place to look for answers. This forum is about LAMMPS, not potentials. You probably just need to do a better and more thorough and careful literature search. At any rate, for further advice you should talk to your adviser or tutor.