Dear LAMMPS Users
I have intended to observe charge surface impact on droplet. In order to omit the surface charge’s impact in Z direction, the slab correction has been assigned. Unfortunately, the charged surface still influences on the droplet in Z direction and a cylindrical shape is formed in z direction.
(The surface is formed in xy-plan )
The attached photo is extracted after 10000 timesteps.
I will appreciate any suggestion.
Thank you
Sincerely
Reza.
Dear LAMMPS Users
I have intended to observe charge surface impact on droplet. In order to
omit the surface charge's impact in Z direction, the slab correction has
been assigned. Unfortunately, the charged surface still influences on the
droplet in Z direction and a cylindrical shape is formed in z direction.
i think you are misunderstanding what the slab correction does. it
will remove dipole interactions between *periodic copies* of the slab.
that is it.
and for that to be meaningful, you'll have to make certain, that your
system is neutral, e.g. by converting your charged slab into a
polarized slab.
but even in that case, your polarized slab *will* impact your system.
your overall description is far to vague to give any recommendation
and your picture is not very helpful either, as it is by no means
self-explanatory and particularly it doesn't even show the required
separation between periodic copies of the slab system.
axel.
Thank you Axel
your overall description is far to vague to give any recommendation
and your picture is not very helpful either, as it is by no means
self-explanatory and particularly it doesn't even show the required
separation between periodic copies of the slab system.
{
units real
atom_style full
boundary p p f
special_bonds lj/coul 0.0 0.0 0.0
pair_style lj/cut/coul/long 10 15
bond_style harmonic
angle_style harmonic
kspace_style pppm 1.0e-5
kspace_modify slab 5.0
neighbor 2.0 bin
neigh_modify every 1 delay 0 check yes
fix sheet Cgraphene setforce 0.0 0.0 0.0
fix sheetup CgrapheneUp setforce 0.0 0.0 0.0
fix top CgrapheneUp wall/reflect zlo 158
fix fixnvtf fluidbox nvt temp 298.13 298.13 100.0
fix fixshake fluidbox shake 1.0e-5 20 10 b 1 2 3 a 1 2
}
simulation box :
-75 75 xlo xhi
-75 75 ylo yhi
-30 180 zlo zhi
Droplet consists of 7000 water molecules, sheet is located on 0.0(A) in z
direction and upper wall is located on 158 (A) in z direction.
Is there any way to simulate this situation?
Sincerely,
Reza