I want to simulate the same as this attached video but with Ni-Al bilayer. Any suggestions how to create a lammps input file. I have created the Ni-Al bilayer structure already. My thinking is dividing the box into 3 parts. First heating the left section with npt ensemble while keeping the other 2 in constant temperature. Then letting the system evolve or heat transfer using nph ensemble . However, I do not know how to combine all my plan together in an input script. Please any suggestions.