Using LAMMPS for HEAs simulations

Is there some can help me how to use LAMMPS for simulation of high entropy alloys? If there is document that can help me step by step. Thanks

Please see the “Guidelines and suggestions” post to learn what you can (or can not) expect from this forum and how you should write your posts to have the best chances to get a meaningful response.

If you want personal assistance, you have to work this out with your adviser or supervisor.

Generally speaking there are two separate issues that you are asking about:

  • general instructions on how to perform simulations with LAMMPS. For that you can study the LAMMPS manual and available tutorials. There is a list on the LAMMPS home page here: LAMMPS Tutorials
  • specific considerations for high-entropy alloys. For this you have to study the published literature and learn from what others have done for their simulations and how they analyzed the results. If necessary, you have to arrange with your adviser / supervisor to arrange for personal tutoring with an expert in the field.