Hello Users,
I am trying to calculate thermal conductivity of Carbon Nanotube. I am trying to create temperature difference between two regions of the CNT.
I had divided the CNT into 8 regions along Z - axis. The hot & cold regions are at a distance of half the length of CNT.
units real
dimension 3
boundary s s p
atom_style atomic
pair_style airebo 3.0
pair_coeff * * CH.airebo C
…
…
velocity all create 300.0 873586443 dist gaussian
fix 2 cold nvt 285 285 100
fix 3 hot nvt 315 315 100
…
…
timestep 0.25
dump 1 all atom 250 tempcnt.opt
run 25000
I had run this program. But it seems that the temperature of the other regions are not changing at all with time. I mean since there is a temperature diff between two regions, heat should flow from hot to cold. But i don’t see that happening because the temperatures of the regions in between are constant and not changing at all…
Could someone please help me with this???
Thanks,
Ajit