Previous experimental and computational results have confirmed that the thermal conductivity of a two-dimensional (2D) material can be considerably affected by strain. Numerous attention has been paid to explore the relevant mechanisms. However, the strain effects on the interfacial thermal conductance (ITC) of 2D heter-ostructure have attracted little attention. Herein, the non-equilibrium molecular dynamics (NEMD) simulations were conducted to the graphene/hexagonal boron nitride (GR/h-BN) heterostructure to investigate the strain effects on the ITC. Three types of strains were considered, i.e., tensile strain, compressive strain, and shear strain. The results indicate that the strain can adjust the ITC for the GR/h-BN heterostructure effectively, and the strain loading direction also influences the ITC. Generally, the tensile strain reduces the ITC of the heterostructure, in addition to the BN-C system at small tensile strain;both the compressive strain and shear strain increase the ITC, especially at a small strain. For the NB-C system, it is more sensitive to the strain loading direction and the yx shear strain of 0.06 is the most effective way to strengthen the ITC. Our results also show that the out-of-plane deformation weakens the in-plane vibration of atoms, leading to a reduction of the interfacial thermal energy transport.

Feng Liu;YouKun Gong;Rui Zou;Huiming Ning;Ning Hu;Yaolu Liu;Liangke Wu;Fuhao Mo;Shaoyun Fu;Cheng Yan

College of Aerospace Engineering, Chongqing University, Chongqing, 400044, China;School of Mechanical Engineering, Hebei University of Technology, Tianjin, 300401, China;State Key Laboratory of Reliability and Intelligence Electrical Equipment, Hebei University of Technology, Tianjin, 300130, China;National Engineering Research Center for Technological Innovation Method and Tool, Hebei University of Technology, Tianjin, 300401, China;College of Mechanical and Vehicle Engineering, Hunan University, Changsha, 410082, China;School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology (QUT), Brisbane, QLD, 4001, Australia

纳米材料科学（英文版）

[1]Feng Liu;YouKun Gong;Rui Zou;Huiming Ning;Ning Hu;Yaolu Liu;Liangke Wu;Fuhao Mo;Shaoyun Fu;Cheng Yan-.Strain effects on the interfacial thermal conductance of graphene/h-BN heterostructure)[J].纳米材料科学（英文版）,2022(03):227-234

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