How can I calculate the thermal conductivity of 1D materials , such as nanotube structures , using LAMMPS ?
Is there a postprocessing package available for calculating thermal conductivity from LAMMPS output for 1D materials?
How can I calculate the thermal conductivity of 1D materials , such as nanotube structures , using LAMMPS ?
Is there a postprocessing package available for calculating thermal conductivity from LAMMPS output for 1D materials?
Can anyone help me?
Best Regards
Durjoy
This is a question you have to discuss with your adviser, supervisor, or tutor. This is not something to be discussed in this forum.
What you are essentially asking for is for somebody to outline your research for you. As you can see from the lack of responses, nobody here has an interest to do this. After all, that is your job in collaboration with your adviser.
Instead you should be searching the published literature for studies that have done similar things with classical MD. Then you can look into whether the methods employed are available and usable in LAMMPS or whether you need to use different methods or different simulation tools.
The fact that you want to use LAMMPS for it is irrelevant in this respect and does not make your question a topic for this forum.