I'm trying to calculate the thermal conductivity of a graphene sheet using lammps. I'm using Lammps fix ave/correlate command. Though the literature shows graphene has thermal conductivity of ~4100, i'm getting only 3.5ish!!!
for calculate thermal conductivity i write a good alguritm
u can read it!
Amazing!! Thanks for the help. What value of K did you get?
Hi Tousif,
I never used this script but maybe you can try...
http://lammps.sandia.gov/doc/compute_heat_flux.html
good luck
Thanks all for amazing suggestions.
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