[gpumd] Re: Calculating thermal conductivity contribution of some monolayer on substrates.

  • From: Bruce Fan <brucenju@xxxxxxxxx>
  • To: gpumd@xxxxxxxxxxxxx
  • Date: Wed, 25 Nov 2020 13:14:32 +0200

Using the HNEMD method, and output group heat currents using the compute
heyword, you can get what you want without changing source code.

Zheyong


"소순성" <soonsung2001@xxxxxxxxxx> 于 2020年11月25日周三 11:42写道:

Thank you Alex~!
I'm sure it will be very helpful advice for me!

And after I got your answer, I have additional question.

Following the analogous logic,
can I calculate the thermal conductivity contribution of each graphene
layer from bilayer graphene?

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