Two-dimensional superlattices are promising alternatives to traditional semiconductors for manufacturing power-dissipating devices with enhanced thermal and electronic properties. The goal of this work is to investigate the influence of the superlattice secondary periodicity and atomic interface orientation on the phonon properties and thermal conductivity of two-dimensional superlattices of graphene and boron nitride. We have employed harmonic lattice dynamics to predict the phonon group velocities and specific heats, and molecular dynamics to extract the relaxation times from normal mode analysis in the frequency domain. Density functional perturbation theory is applied to validate the phonon dispersion curves. The Boltzmann transport equation under single relaxation time approximation is then used to predict the thermal conductivities of the superlattices in the zigzag and armchair orientations with periodicities between one and five. Our results showed that the thermal conductivities increased by 15.68% when reducing the superlattice period from two to one. In addition, thermal conductivities parallel to the interface increase by 20.15% when switching the orientation from armchair to zigzag.
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ASME 2015 International Mechanical Engineering Congress and Exposition
November 13–19, 2015
Houston, Texas, USA
Conference Sponsors:
- ASME
ISBN:
978-0-7918-5749-6
PROCEEDINGS PAPER
Predicting Phonon Thermal Transport in Two-Dimensional Graphene-Boron Nitride Superlattices at the Short-Period Limit
Carlos da Silva,
Carlos da Silva
University of Toronto, Toronto, ON, Canada
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Fernan Saiz,
Fernan Saiz
University of Toronto, Toronto, ON, Canada
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David A. Romero,
David A. Romero
University of Toronto, Toronto, ON, Canada
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Cristina H. Amon
Cristina H. Amon
University of Toronto, Toronto, ON, Canada
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Carlos da Silva
University of Toronto, Toronto, ON, Canada
Fernan Saiz
University of Toronto, Toronto, ON, Canada
David A. Romero
University of Toronto, Toronto, ON, Canada
Cristina H. Amon
University of Toronto, Toronto, ON, Canada
Paper No:
IMECE2015-50675, V08AT10A002; 9 pages
Published Online:
March 7, 2016
Citation
da Silva, C, Saiz, F, Romero, DA, & Amon, CH. "Predicting Phonon Thermal Transport in Two-Dimensional Graphene-Boron Nitride Superlattices at the Short-Period Limit." Proceedings of the ASME 2015 International Mechanical Engineering Congress and Exposition. Volume 8A: Heat Transfer and Thermal Engineering. Houston, Texas, USA. November 13–19, 2015. V08AT10A002. ASME. https://doi.org/10.1115/IMECE2015-50675
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