I am a new user of LAMMPS and molecular dynamics codes in general. My interest is in thermal transport. To get started, I was planning to use LAMMPS to compute thermal conductivity in a solid (e.g. silicon). I was wondering if anyone has used LAMMPS for thermal conductivity computations and had suggestions on ways to proceed.
Thanks,
Sreekant Narumanchi
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See the fix thermal/conductivity command.
Steve