I want to simulate a liquid between to parallel walls (Couette flow) like the one in the LAMMPS example directory but in 3d. The problem is that I use lattice fcc but since that sets atoms on a lattice I can’t get whatever wall thicknesses that I want to set and it should a multiple of a lattice side size. E.g. if the lj reduced density is set 0.755 then lattice sides size are aound 1.74 (lj reduced units) and I want the walls to have a thickness of say exactly 4.35 but I can’t create such a thickness as it’s not a multiple of lattice side size (1.74)
I was thinking by using random option in create_atoms I can create regions exactly the sizes that I need and throw atoms in the there but as I freeze the walls during the simulation (fix setforce) I don’t know how to do energy minimization and equlibrate the problem.
Here is how I set up the problem
region total block -10 10 0 68.7 -10 10 units box
region wall1 block -10 10 0 4.35 -10 10 units box
region phaseI block -10 10 4.35 64.35 -10 10 units box
region wall2 block -10 10 64.35 68.7 -10 10 units box
create_box 3 total