[lammps-users] lees-edwards boundary condition

Dear list,

I want to use Lees-Edwards boundary condition in my shear flow simulation:

“The box under consideration is surrounded by cyclic images of itself in the yz plane, as in the ‘conventional’ calculations. The neighbouring
cells in the x direction are made to drift with a specified speed Vd in the y direction with respect to the central cell.”
(Lees, A.W. and Edwards, S.F., (1972). J. Phys. C., 5, 1921.)

But I have no idea about how to do this. Would you please give me some advise?

Thank you very much!

Xin Li

I think Lees-Edwards will be possible with the new fix deform command
we will release soon, that allows a non-orthogonal box to continuously
shear.

Steve