MD-Orienting lattice in LAMMPS

[tjjoseph]

I am trying to reproduce results of a couette flow from a paper by Thompson & Troian.
Which has a lattice orientation as follows:

"x-direction of the fluid cell is aligned along the [11-2] orientation of the fcc lattice comprising the wall"&
"each wall of the cell consists of atoms forming two (111) planes of a fcc.

I have written the following statements in LAMMPS to reproduce it but I am not certain if it is correct.
I would greatly appreciate it if someone could confirm it or guide to some literature which could help me out.


lattice fcc 0.81 orient x 1 1 -2 orient y 1 1 1 orient z 1 -1 0
create_atoms 1 region fluid units box
lattice fcc 3.24 orient x -1 1 0 orient y 1 1 1 orient z 1 1 -2
create_atoms 2 region btm_wall units box
create_atoms 3 region top_wall units box

 

[Useful nucleus]

That should be posted in LAMMPS mailing list. There you will get help.