Author Topic: can we calculate thermal conductivity for unit cells ?  (Read 469 times)

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Offline DR.HARSHA

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I want thermal conductivity for al2o3, can we do it in VNL or is it possible at all, but i have seen it for carbon nano tubes, an single atoms. It is just a doubt, if any one knows any information plz let me know.

Offline Jess Wellendorff

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Re: can we calculate thermal conductivity for unit cells ?
« Reply #1 on: May 11, 2017, 08:42 »
I guess you would do it using a DeviceConfiguration to compute the PhononTransmissionSpectrum, similar to what is done for nanotubes in a tutorial: http://docs.quantumwise.com/tutorials/thermoelectrics_cnt_isotope/thermoelectrics_cnt_isotope.html