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[lammps-users] thermal profile of metal with fix AtC thermal
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[lammps-users] thermal profile of metal with fix AtC thermal


From: <xudong.wang@...7565...>
Date: Fri, 18 May 2018 14:24:36 +0200

Hello everyone,

 

I would like to simulate the one-dimensional heat conduction in a bar (see figure below) with AtC package, just like what Wagner et al. did in the paper An atomistic-to-continuum coupling method for heat transfer in solids. But the difference is that the material of my system is metal silver instead of Ar presented in the paper. As we know, for metal, the electron plays the most important role in heat conduction. So can I always simulate metal system similarily as that of Ar pls ?

cid:image001.png@...7643...

 

Furthurmore, I have another question about the output datas. What kind of propreties of  the f_AtC[1], f_AtC[2]… mean? I did’t find the answer in the AtC doc even though I read lots of times. Please help me. Thanks.

 

Best regards

Xudong