Thermal Conductance along Hexagonal Boron Nitride and Graphene Grain Boundaries
| Autor: | Ali Hossein Nezhad Shirazi, Mohammad Reza Azadi Kakavand, Meysam Makaremi, Timon Rabczuk, Raahul Palanivel Uma |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
Control and Optimization
Materials science thermal conductance Energy Engineering and Power Technology Hexagonal boron nitride 02 engineering and technology 010402 general chemistry lcsh:Technology 01 natural sciences law.invention Molecular dynamics Thermal conductivity Maschinenbau law thermal conductivity Electrical and Electronic Engineering Thin film h-BN and Graphene sheets Engineering (miscellaneous) Condensed matter physics lcsh:T Renewable Energy Sustainability and the Environment Hexagonal crystal system Graphene 021001 nanoscience & nanotechnology 0104 chemical sciences molecular dynamics simulation Grain boundary 0210 nano-technology Energy (miscellaneous) |
| Zdroj: | Energies Volume 11 Issue 6 Energies, Vol 11, Iss 6, p 1553 (2018) |
| ISSN: | 1996-1073 |
| DOI: | 10.3390/en11061553 |
| Popis: | 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. CA extern |
| Databáze: | OpenAIRE |
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