[lammps-users] about wall in lammps

Dear,

I want to create a cylinder wall and apply periodic boundary conditions along the axis of the cylinder. It seems there aren’t commands about wall in LAMMPS. I may create it with many partices in the x,y boundies. but if I want to use steele potential between wall and other particles, How to deal with? would some people like to give some advice.Thanks in advance.

steele potential(see inclosure)
sigma_wf is fluid molecular and wall interaction parameters, and R-r is distance between them.

Wende

steele.jpg

Dear,

dear wende,

I want to create a cylinder wall and apply periodic boundary conditions
along the axis of the cylinder. It seems there aren't commands about wall in
LAMMPS. I may create it with many partices in the x,y boundies. but if I
want to use steele potential between wall and other particles, How to deal
with? would some people like to give some advice.Thanks in advance.

if you want a feature in LAMMPS that is not there, you'll have to
bite the bullet and implement it yourself. LAMMPS is a very modular
program and it is very easy and straightforward to extend it.
since there are already a number of (flat?) wall potentials, i'd
suggest you take one of those as a template and implement your
cylindrical potential based on that.

cheers and good luck,
  axel.

See the fix wall/lj93 or other fix wall potentials. As Axel said,
you'll have to code the Steele potential yourself in the format
of one of those.

Steve