Hi,
I am looking to do a simulation with a large amount of both fluid and solid atoms. The fluid will be modeled by a simple LJ potential while the solid will be modeled by the EAM potential. The fluid-solid interaction will be modeled by an LJ potential regressed from another more detailed potential and experimental results.
When I began setting up the simulation I immediately ran into the question of system units. When I'm using the eam files provided with LAMMPS they are parameterized in metal units. Therefore I will need to specify my LJ inputs in metal units as well. Is this known to cause any numerical or performance difficulties within LAMMPS?
If there are any other suggestions about this type of system that I should be aware of before setting off that would be great too.
Many thanks!
Dan