Bimodal Grain-Size Scaling of Thermal Transport in Polycrystalline Graphene from Large-Scale Molecular Dynamics Simulations.

  title={Bimodal Grain-Size Scaling of Thermal Transport in Polycrystalline Graphene from Large-Scale Molecular Dynamics Simulations.},
  author={Zheyong Fan and Petri Hirvonen and Luiz Felipe C. Pereira and Mikko M. Ervasti and Ken R. Elder and D. Donadio and Ari Harju and Tapio Ala‐Nissila},
  journal={Nano letters},
  volume={17 10},
Grain boundaries in graphene are inherent in wafer-scale samples prepared by chemical vapor deposition. They can strongly influence the mechanical properties and electronic and heat transport in graphene. In this work, we employ extensive molecular dynamics simulations to study thermal transport in large suspended polycrystalline graphene samples. Samples of different controlled grain sizes are prepared by a recently developed efficient multiscale approach based on the phase field crystal model… 

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