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Re: [lammps-users] CG-graphene thermal conductivity simulation
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Re: [lammps-users] CG-graphene thermal conductivity simulation

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 15 Jul 2017 08:43:08 -0400

On Fri, Jul 14, 2017 at 10:17 PM, Ziyu Cong <czy9004@...24...> wrote:
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.


PS: I upload the ppt contain 2 kinds way of temp gradient graph. 


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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.