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


From: Ziyu Cong <czy9004@...24...>
Date: Sat, 15 Jul 2017 11:17:14 +0900

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. 


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Attachment: question.pptx
Description: application/vnd.openxmlformats-officedocument.presentationml.presentation