[lammps-users] Does anyone have experience in thermal conductivity simulation of graphene sheet?

Hi Ajing,

Thanks for your comment. So do you think the finite size has much effect on the thermal conductivity of graphene sheets? My present simulation system has a length of 250 A and a width of 50A. Is it too small to get the correct thermal conductivity value?

In addition, what you pointed is the paper (Nano Lett, 9, 2730 (2009) )? Why do you think it is wrong?



Sure, because the system size is much less than mean free path of graphene, roughly 500 nm for CNT. Graphene should has similar value.

Yes, what i refereed to is that paper. If you do the same calculation using their length, potential, methodology, you will not get > 1000 W/mK conductivity.