Heat transport across graphene/hexagonal-BN tilted grain boundaries from phase-field crystal model and molecular dynamics simulations

We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. First, realistic samples containing graphene/h-BN GBs with different tilt angles are generated using the phase-field crysta...

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Bibliographic Details
Main Authors: Haikuan Dong, Petri Hirvonen, Zheyong Fan, Ping Qian, Yanjing Su, Tapio Ala-Nissila
Format: Default Article
Published: 2021
Subjects:
Crystallographic defects
Molecular dynamics
Heterostructures
Phonons
Thermal transport
Graphics processing units
Graphene
Online Access:https://hdl.handle.net/2134/19714969.v1
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