Hello Lammps users,
I am studying the interface between a substrate and a polymer solution using DPD simulation. My problem is the penetration of solution molecules to the substrate due to the soft potential in DPD. I found wall/reflection has been a suggestion in the user mail-list, which can be used when the direction of reflection is nonperiodic. In my model though the substrate is periodic in each 3 directions. Could you please let me know if there is any other method for this.
King Regards
Katerina
Hi Katerina,
I haven’t used this command before, but from reading the documentation, maybe fix wall/harmonic or fix wall/morse or fix wall/lj93 would work for your application (https://lammps.sandia.gov/doc/fix_wall.html)? From the documentation, the wall exerts a specified force to atoms that interact with the wall AND it can be used with periodic boundary conditions (keywords: pbc yes).
Hope that helps,
Will
Thank Shafat and Will for your help. Then I will go through fix wall.
King Regards
Katerina
Hi Katerina,
I haven’t used this command before, but from reading the documentation, maybe fix wall/harmonic or fix wall/morse or fix wall/lj93 would work for your application (https://lammps.sandia.gov/doc/fix_wall.html)? From the documentation, the wall exerts a specified force to atoms that interact with the wall AND it can be used with periodic boundary conditions (keywords: pbc yes).
Hope that helps,
Will