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Thermal Conductance along Hexagonal Boron Nitride and Graphene Grain Boundaries

Author

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  • Timon Rabczuk

    (Division of Computational Mechanics, Ton Duc Thang University, Ho Chi Minh City, Vietnam
    Faculty of Civil Engineering, Ton Duc Thang University, Ho Chi Minh City, Vietnam
    These authors contributed equally to this work.)

  • Mohammad Reza Azadi Kakavand

    (Unit of Strength of Materials and Structural Analysis, Institute of Basic Sciences in Engineering Sciences, University of Innsbruck, 6020 Innsbruck, Austria
    These authors contributed equally to this work.)

  • Raahul Palanivel Uma

    (Institute of Mechanics, University of Duisburg-Essen, 45141 Essen, Germany)

  • Ali Hossein Nezhad Shirazi

    (Institute of Structural Mechanics, Bauhaus-University of Weimar, 99423 Weimar, Germany)

  • Meysam Makaremi

    (Faculty of Applied Science & Engineering, University of Toronto, Toronto, ON M5S 3E4, Canada)

Abstract

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.

Suggested Citation

  • Timon Rabczuk & Mohammad Reza Azadi Kakavand & Raahul Palanivel Uma & Ali Hossein Nezhad Shirazi & Meysam Makaremi, 2018. "Thermal Conductance along Hexagonal Boron Nitride and Graphene Grain Boundaries," Energies, MDPI, vol. 11(6), pages 1-14, June.
    • Handle: RePEc:gam:jeners:v:11:y:2018:i:6:p:1553-:d:152413
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    References listed on IDEAS

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    Cited by:

    1. Shahin Mohammad Nejad & Masoud Bozorg Bigdeli & Rajat Srivastava & Matteo Fasano, 2019. "Heat Transfer at the Interface of Graphene Nanoribbons with Different Relative Orientations and Gaps," Energies, MDPI, vol. 12(5), pages 1-11, February.

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