CG-graphene thermal conductivity simulation

Hello all:

I’m trying to use the Coarse-grained model to study the effect of the void in graphene layer, while, there has so much paper focus on the graphene’s thermal conductivity. But, I can do correct simulation in all-atom scale of graphene layer, but, when I use the same script to do Coarse-grained simulation, the temp gradient become strange

So I wonder if anyone can give me some advice to fix the problem.
PS: I upload the ppt contain 2 kinds way of temp gradient graph.

question.pptx (212 KB)

Hello all:

I'm trying to use the Coarse-grained model to study the effect of the void
in graphene layer, while, there has so much paper focus on the graphene's
thermal conductivity. But, I can do correct simulation in all-atom scale
of graphene layer, but, when I use the same script to do Coarse-grained
simulation, the temp gradient become strange

So I wonder if anyone can give me some advice to fix the problem.

​have you talked to your adviser or supervisor? that would be the person to
discuss such matters with.
after all, what you are asking about is not about LAMMPS (and thus
technically off-topic for this mailing list), but about your science.
personally, i am not surprised that a coarse grain model (which one?) gives
different results.

axel.