Hello LAMMPS Community,
Im a fresher in simulation. I have to remake the simulation “Thermophysical and mechanical properties of multicomponent Zr37Hf16Ni12.5Cu12.5Al11Co6Nb5 bulk glass-forming alloy”. I have LAMMPS code to calculate g(r) at each temperature, but i dont have the interaction potential of this alloy.
Now i want to research the interaction potential or make it. So, how can i do that?
Thank you!
It should be referenced in the publication you are trying to reproduce.
Parameterizing potentials is a very advanced topic. It requires lots of experience and a deep understanding of the model.
As I know, in the paper, the authors conducted experiments to measure the results and did not use interaction potentials. How can I find the interaction potential for this alloy system?
Please note that this is not really a LAMMPS question, but a question of planning and designing your research project. That is something you need to discuss with your adviser (that is what advisers are there for).
Generally speaking, potential parameters can be found in publications and databases for interaction potentials. LAMMPS mentions a few of the latter in its manual, but they only contain a subset. Since creating potential parameters is a significant effort, you cannot expect to have ready-to-use potential parameter sets for all kinds of combinations. High-entropy alloys with many components are particularly problematic in that regard.