Thermal conductance along hexagonal boron nitride and graphene grain boundaries

Timon Rabczuk, Mohammad Reza Azadi Kakavand, Raahul Palanivel Uma, Ali Hossein Nezhad Shirazi, Meysam Makaremi

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


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.

Original languageEnglish
Article number1553
Issue number6
Publication statusPublished - 2018 Jun

Bibliographical note

Publisher Copyright:
© 2018 by the authors.


  • Graphene sheets
  • H-BN
  • Molecular dynamics simulation
  • Thermal conductance
  • Thermal conductivity

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Energy Engineering and Power Technology
  • Energy (miscellaneous)
  • Control and Optimization
  • Electrical and Electronic Engineering


Dive into the research topics of 'Thermal conductance along hexagonal boron nitride and graphene grain boundaries'. Together they form a unique fingerprint.

Cite this