[lammps-users] Problem with Temperature

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???


How are you monitoring the Temp of the region inbetween?