[lammps-users] How to relax stresses in non-periodic directions

Hello All,

I am trying to built a bimetal interface with two metals having different lattice constants. I have built the interface and enforcing periodic boundary conditions only in one direction, the other two directions have free surfaces.

How can I relax stresses in my system as fix deform and fix npt will not let me relax stresses in the directions that are non-periodic. Any suggestion will be appreciated. (I am trying to minimize energy using conjugate gradient method in lammps).

Thank you

Yojna

If there is no periodic boundary, there is nothing to relax the stress against.
The atoms in the free surfaces go where they want to go. A minimization,
or running dynamics should do the trick.

Steve