Dear lammps users,
I need to study the effect of plate thickness on the phase transition temperature for a TiNi alloy. Accordingly, along the z axis we have non-periodic boundary conditions. Therefore, I have a question about how to correctly simulate cooling. Do I need to set non-periodic conditions along the z axis and cool in an npt ensemble with a barostat only along the y and x axes, or do I set periodic conditions along all axes and just expand the simulation box along the z axis