Graphene-carbon nitride interface-geometry effects on thermal rectification: a molecular dynamics simulation

In this paper we expand our previous study on phonon thermal rectification (TR) exhibited in a hybrid graphene-carbon nitride system (G-C N) to investigate the system's behavior under a wider range of temperature differences, between the two employed baths, and the effects of media-interface ge...

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Bibliographic Details
Published in:Nanotechnology 2021-05, Vol.32 (21), p.215403-215403
Main Authors: Farzadian, O, Spitas, C, Kostas, K V
Format: Article
Language:English
Subjects:
graphene-C3N interface
molecular dynamics
thermal rectification
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Summary:In this paper we expand our previous study on phonon thermal rectification (TR) exhibited in a hybrid graphene-carbon nitride system (G-C N) to investigate the system's behavior under a wider range of temperature differences, between the two employed baths, and the effects of media-interface geometry on the rectification factor. Our simulation results reveal a sigmoid relation between TR and temperature difference, with a sample-size depending upper asymptote occurring at generally large temperature differences. The achieved TR values are significant and go up to around 120% for ΔT = 150 K. Furthermore, the consideration of varying media-interface geometries yields a non-negligible effect on TR and highlights areas for further investigation. Finally, calculations of Kapitza resistance at the G-C N interface are performed for assisting us in the understanding of interface-geometry effects on TR.
ISSN:0957-4484
1361-6528
DOI:10.1088/1361-6528/abe786