I wrote an input script for examination fix srd with compact wall as big particles as follows:
group wall type 1
group fluid type 2
velocity wall set 0 0 0 units box
velocity fluid create 1.0 593849 loop geom
pair_style lj/cut 2.5
pair_modify shift yes
pair_coeff 1 1 0.0 1.0 0.0
pair_coeff 2 2 0.0 1.0 0.0
pair_coeff 1 2 1.0 1.0 2.5
fix 1 wall setforce 0.0 0.0 0.0
fix 2 fluid srd 50 wall 1.0 0.125 49894 &
radius 0.85 collision slip overlap yes search 0.2
fix 3 fluid wall/srd ylo -11.0 yhi 11.0 units box
communicate multi group wall vel yes
neigh_modify include wall
timestep 0.012
I set particles on a plane so that distance between to particles is 0.5 and diameters of particles are 1.0
Part of coordinates of wall’s particles is such as follows:
1 1 0.5 1 -10 0 10
2 1 0.5 1 -9.5 0 10
3 1 0.5 1 -9 0 10
4 1 0.5 1 -8.5 0 10
5 1 0.5 1 -8 0 10
6 1 0.5 1 -7.5 0 10
7 1 0.5 1 -7 0 10
8 1 0.5 1 -6.5 0 10
9 1 0.5 1 -6 0 10
10 1 0.5 1 -5.5 0 10
11 1 0.5 1 -5 0 10
12 1 0.5 1 -4.5 0 10
13 1 0.5 1 -4 0 10
14 1 0.5 1 -3.5 0 10
I think the wall that made this form is compact enough
But still srd particles can move thru wall
I think this problem is for interactions between srd/wall particles
What did you mean about that you said interactions between srd and big particles are bounce?
Samira
What atom style are you using? Why aren't the
particle coords layed out in a 2d grid? Have you
visualized the dynamics. When you see the
SRDs moving around can you see the excluded
volume of the big particles, either the mobile
or wall big particles?
Steve
What atom style are you using?
atom_style sphere
Why aren’t the particle coords layed out in a 2d grid?
Because i want to simulate my system in 3d
Could i have a 2d wall in a 3d system?
I set y-coords = 0 in order to have single layer wall in 3d
Have you visualized the dynamics?
When you see the
SRDs moving around can you see the excluded
volume of the big particles, either the mobile
or wall big particles?
I visualize dump file with VMD
At first i set the monolayer frozen wall on x-z plane as big particles
and then poured 1000 spherical particles as srd particles on right side of wall
in a 3d simulation box in order to check whether srd particles move thru wall
and go to other side of wall. If you have noticed, i set two parallel fase of simulation box with x-z plane as srd wall.
So srd particles just could move thru frozen wall in middle of box to go to the left side of box durig program performance.
Regards
Samira
You can make a 3d wall, but you didn't show any coords of
particles in the other 2 dims. I was trying to verify that they
were close enough in both dimensions of the plane of the wall.
Your listing of atoms from the data file shows they all
have a diameter of 0.5, not 1.0. Thus they are not overlapping
if they are separated by 0.5.
Steve