Particle Wall

Hi Users,

I am modeling a solid substrate with a fluid above it. I do not want the substrate to move but I want the fluid to interact with it. This is how I am modeling it:

The substrate is of “type 2” and the fluid is “type 1 3”

“”"
neigh_modify delay 0 every 1 check yes exclude type 2 2

group water type 1 3
group substrate type 2

fix 1 water nvt temp $t $t 1000.0
run 10000
“”""

Is this the proper way to conduct this simulation within LAMMPS?

Thanks for the help

You can actually run it and visualize it to get a definite answer.

But no, with fix nvt only applied to group water, your substrate will not move so the “neigh_modify exclude type 2 2” is redundant.

Ray

Hi Ray,

Thanks for your reply. One question, with nvt only applied to water group, does the water still interact with the substrate? I’ve visualized the simulation and it appears that it doea but just want to make sure. Also, for efficiency, I don’t want the substrate interacting with itself so that’s why I “excluded type 2 2”,does that make sense?

Again, thanks for the help.

Hi Ray,

Thanks for your reply. One question, with nvt only applied to water group,
does the water still interact with the substrate?

Yes, provided that you have defined their interactions which can not be
told from your snippet.

I've visualized the simulation and it appears that it doea but just want
to make sure. Also, for efficiency, I don't want the substrate interacting
with itself so that's why I "excluded type 2 2",does that make sense?

In that case, yet.

Ray