I am beginner on LAMMPS… I wanted to calculate thermal conductivity for liquid Aluminum. I have found input file for thermal conductivity of solid Ar. I modified it from real to metal units and placed liquid aluminum information. I am not getting the correct answer for liquid Aluminum. Anyone help…??
Thanks,
Amit
I am beginner on LAMMPS… I wanted to calculate thermal conductivity for liquid Aluminum. I have found input file for thermal conductivity of solid Ar. I modified it from real to metal units and placed liquid aluminum information. I am not getting the correct answer for liquid Aluminum. Anyone help…??
nobody can help you on such vague requests like “i don’t get the expected result”.
computing thermal conductivity is an advanced MD technique and it requires some understanding of the process. simply changing units may not be sufficient. you have to monitor the convergence, compliance with the method’s requirements, and average over a sufficiently large chunk of data.
there have been frequent discussions on the subject of thermal conductivity on this list, i suggest you search through the mailing list archive and learn from them. also LAMMPS provides scripts of its own with 6 (six!) different ways to compute kappa. so there is a lot to learn and to try out.
axel.