Dear all,

The Green-Kubo formula in LAMMPS is used to determine the thermal conductivity of a single component system, i.e. single phase homogeneous system. example Ar.

For the multi-component system (nanofluid), the enthalpy term has to be subtracted from the convective term to get significant results according to the attached paper. The new GK formula for the multi component system:

The problem I am facing is how to incorporate this enthalpy term in the formula to calculate the correct thermal conductivity of the multi-component system. Please suggest me the method to proceed in the problem. Any kind of help is appreciated. Thanks

Dear all,

The Green-Kubo formula in LAMMPS is used to determine the thermal

conductivity of a single component system, i.e. single phase homogeneous

system. example Ar.

!image.png|396x135

For the multi-component system (nanofluid), the enthalpy term has to be

subtracted from the convective term to get significant results according to

the attached paper. The new GK formula for the multi component system:

!image.png|488x109

The problem I am facing is how to incorporate this enthalpy term in the

formula to calculate the correct thermal conductivity of the

multi-component system. Please suggest me the method to proceed in the

problem. Any kind of help is appreciated. Thanks

i am not aware of a flag or compute in LAMMPS that can do this for you.

axel.