how to create a moving spherical reflect wall

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1

Hi everyone
I came across a problem on creating a moving spherical reflect wall in LAMMPS. There is a hallow spherical structure with a diameter of 10 nm in my simulation, I want to avoid particles outside this structure come into the hallow holes, so I want to add one spherical reflect wall around this hallow spherical structure. I knew fix wall/reflect plus proper variable can achieve this. But actually, this structure is not stationary, its positions changes with external environment, so I don’t know how to make it. Can any one give me some suggestions? I would really appreciate it.
Best regards

2

Hi everyone
I came across a problem on creating a moving spherical reflect wall in
LAMMPS. There is a hallow spherical structure with a diameter of 10 nm in my
simulation, I want to avoid particles outside this structure come into the
hallow holes, so I want to add one spherical reflect wall around this hallow
spherical structure. I knew fix wall/reflect plus proper variable can

It is unlikely that fix wall/reflect, which operates on planes, can
achieve this.

achieve this. But actually, this structure is not stationary, its positions
changes with external environment, so I don't know how to make it. Can any

How are you going to change the position of a hollow sphere?
Equal-style variable?

one give me some suggestions? I would really appreciate it.

Try fix indent.

Ray

3

Hi everyone
I came across a problem on creating a moving spherical reflect wall in LAMMPS. There is a hallow spherical structure with a diameter of 10 nm in my simulation, I want to avoid particles outside this structure come into the hallow holes, so I want to add one spherical reflect wall around this hallow spherical structure. I knew fix wall/reflect plus proper variable can achieve this. But actually, this structure is not stationary, its positions changes with external environment, so I don’t know how to make it. Can any one give me some suggestions? I would really appreciate it.

You need a text editor and start programming.

Axel.

4

You might be able to use fix wall/region with a spherical
region, and use the optional move keyword on the region
command to move the center of the sphere over time.

Steve