Thermal conductivity of Si NW

Hi Zeru

I am using our product (MedeA) which is running LAMMPS but doing the analysis outside of LAMMPS. We wrote the initial version of the correlation code that ended up in LAMMPS, but as it was incorporated in LAMMPS it was changed substantially and has somewhat different functionality than what we are using, though I do not think that should make a difference. I am also using a different forcefield (pcff+) than you (Tersoff), but that should again not make a huge difference. When you say “very small” what do you mean? Perhaps you have a problem with you unit conversions. Have you tried running something very simple, say argon and seeing if you get reasonable results? You can get experimental results at NIST (http://webbook.nist.gov/chemistry/fluid/)and would want a dense fluid, so run at say 100 K and 50 MPa.

Paul

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