Coupling Lammps and OpenFOAM

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1

Hello all,

I would like to know if it is possible to couple both Lammps and OpenFOAM (continuum based solver).

Using Lammps, I have understood the dynamics of a chain of beads which are connected to each other, considering the interaction potential between the beads (Lennard-Jones potential + Nonlinear spring potential). Further, I have developed solvers to implement the ion transport using continuum based models in OpenFOAM. Now, I would like to couple both these solvers.

For instance, for each time step, the position of the beads obtained from the Lammps simulation have to be read to update a variable in my continuum based framework. After solving the transport in OpenFOAM, I have to calculate the new position of the bead in the next time step. The process is repeated for N time steps.

Please let me know if it is possible to couple these two frameworks. If so, kindly let me know the procedure.

Thanks for the help.

Regards,
Vishal Nandigana

2

Hello all,

I would like to know if it is possible to couple both Lammps and OpenFOAM
(continuum based solver).

yes, and it already exists. check out: http://www.cfdem.com/

Using Lammps, I have understood the dynamics of a chain of beads which are
connected to each other, considering the interaction potential between the
beads (Lennard-Jones potential + Nonlinear spring potential). Further, I
have developed solvers to implement the ion transport using continuum based
models in OpenFOAM. Now, I would like to couple both these solvers.

For instance, for each time step, the position of the beads obtained from
the Lammps simulation have to be read to update a variable in my continuum
based framework. After solving the transport in OpenFOAM, I have to
calculate the new position of the bead in the next time step. The process is
repeated for N time steps.

Please let me know if it is possible to couple these two frameworks. If so,
kindly let me know the procedure.

if you want to build your own, you have to read the documentation
about the lammps library interface. there are also simple examples.

axel.

3

Hi

“if you want to build your own, you have to read the documentation
about the lammps library interface. there are also simple examples.”

Could you provide links to the examples where such coupling is done !!

Thanks

4

Hi

"if you want to build your own, you have to read the documentation
about the lammps library interface. there are also simple examples."

Could you provide links to the examples where such coupling is done !!

could you please RTFM first??

you can start with:
http://lammps.sandia.gov/doc/Section_howto.html#howto_10
and
http://lammps.sandia.gov/doc/Section_howto.html#howto_19
and look at the examples that are shipped with the LAMMPS sources.

axel.

5

There is no example of coupling to OpenFOAM that
is in the LAMMPS distro itself. There are simple
examples of using LAMMPS as a lib that are
in examples/COUPLE. Or you can contact the
folks at the LIGGGHTS web site who have already
done this kind of thing.

Steve