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Thermal Conductance along Hexagonal Boron Nitride and Graphene Grain Boundaries
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Thermal Conductance along Hexagonal Boron Nitride and Graphene Grain Boundaries
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Journal Article
Thermal Conductance along Hexagonal Boron Nitride and Graphene Grain Boundaries
2018
Overview
We carried out molecular dynamics simulations at various temperatures to predict the thermal conductivity and the thermal conductance of graphene and hexagonal boron-nitride (h-BN) thin films. Therefore, several models with six different grain boundary configurations ranging from 33–140 nm in length were generated. We compared our predicted thermal conductivity of pristine graphene and h-BN with previously conducted experimental data and obtained good agreement. Finally, we computed the thermal conductance of graphene and h-BN sheets for six different grain boundary configurations, five sheet lengths ranging from 33 to 140 nm and three temperatures (i.e., 300 K, 500 K and 700 K). The results show that the thermal conductance remains nearly constant with varying length and temperature for each grain boundary.
Publisher
MDPI AG
