How to setup a "solid" wall which cannot be crossed by particles

Hi users and developers,

I am using fix pour to pack polydisperse particles. Even though all of particles’ centers are in simulation cell, parts of some of particles exceed the simulation boundary. Why is it that? How to set up a solid wall so that all of particles can be in the simulation cell, not only their centers.

Thanks!

Hi users and developers,

I am using fix pour to pack polydisperse particles. Even though all of
particles' centers are in simulation cell, parts of some of particles
exceed the simulation boundary. Why is it that? How to set up a solid wall
so that all of particles can be in the simulation cell, not only their
centers.

​what kind of boundary do you use?

axel.​

Hi, the input script I am using:

atom_style sphere
boundary p p fm
newton off
comm_modify vel yes
region reg block -7 7 -7 7 0 14 units box

create_box 1 reg
neighbor 0.2 bin

neigh_modify delay 0
pair_style gran/hooke/history 200000.0 NULL 50.0 NULL 0.5 0

pair_coeff * *
timestep 0.001

fix 1 all nve/sphere

fix 2 all gravity 1000.0 spherical 0.0 -180.0
fix zlower all wall/gran 200000.0 NULL 50.0 NULL 0.5 0 &
zplane 0.0 200.0
region slab block -7 7 -7 7 7 14 units box

fix ins1 all pour 5000 1 626348 region slab diam poly 31 … …

i don’t see any particles sticking out of the box where they should not.
how do you visualize your simulation?
can you post a snapshot image?

axel

I use OVITO to visualize my simulation. Here my goal is that all of particles can totally be inside the simulation box.

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I use OVITO to visualize my simulation. Here my goal is that all of
particles can totally be inside the simulation box.

​but you have periodic boundaries in x and y and no walls. you have a
granular wall at zlo, which seems to be working and a moving open boundary
for zhi.
you get what you are asking for in your input.​ PEBCAC.

axel.

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