Thermal conductance and rectification of asymmetric tilt grain boundary in graphene

Physics – Condensed Matter – Mesoscale and Nanoscale Physics

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14 pages, 5 figures

Scientific paper

We have investigated the lattice thermal transport across the asymmetry tilt grain boundary between armchair and zigzag grains by using nonequilibrium molecular dynamics (NEMD). We have observed significant temperature drop and ultralow temperature-dependent thermal boundary resistance. Importantly, we find an unexpected thermal rectification phenomenon, i.e, the thermal conductivity and Kapitza conductance is asymmetric with respect to the thermal transport direction. And the effect of thermal rectification could be amplified by increasing the difference of temperature imposed on two sides. Our results propose a new promising kind of thermal rectifier and phonon diodes from polycrystalline graphene without delicate manupulation of the atomic structures.

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