Hello,
I want to to calculate thermal conductivity by using “Green-kubo” method for liquid argon. In my case I have a solid-liquid channel. I don’t understand how can I do that. If you give me a sample script for calculating liquid argon thermal conductivity by using “Green-kubo” method it will be helpful for me. I’m waiting for your valuable answer.
Thank you.
there are example scripts for computing thermal conductivity with multiple methods in the examples/KAPPA folder of the LAMMPS source code distribution.
whether those methods are applicable for your particular system geometry is a matter of understanding the corresponding models and theories, for which you are advised to look up information in text books and relevant publications.
axel.