[lammps-users] help with lammps

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Hi Shihai,
Here are my thoughts… Hope this helps.

  1. Create a cylindrical lattice of radius R
  2. Create a new cylinder region with radius R-r. (this till be your actual hollow radius in which the atoms will try to move).
  3. Delete atoms in this new region. You will get the hollow cylinder…
  4. Create the group of the remaing atoms in the cylindrical shell and use zero velocity and setforce zero to keep them fix… or dont include them in the fix.
  5. Now you can incorporate whatever you want within the hollow cylindrical region.
  6. In addition, for the interactions of atoms with the wall (this is a fictitious wall, thought, not 100% smooth), you could use either LJ potential or soft repulsive potential.

Vikas