Hi
I want to simulate the Argon gas in a nano channel and i like to make a Hydropholic and hydrophobic wall for it. I know that I should change the LJ parameter between wall and fluid in my lammps input file. but i don’t know how to change it in lj unit.?? below is some of input file
dimension 2
boundary p s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
lattice hex 0.7
region box block 0 20 0 10 -0.25 0.25
create_box 3 box
create_atoms 1 box
mass 1 1.0
mass 2 1.0
mass 3 1.0
pair_style lj/cut 1.12246
pair_coeff * * 1.0 1.0 1.12246
region 1 block INF INF INF 1.25 INF INF
group lower region 1
region 2 block INF INF 8.75 INF INF INF
group upper region 2
group boundary union lower upper
group flow subtract all boundary
set group lower type 2
set group upper type 3
.
.
.
.