Abstract
Thermal transport properties of graphene with nanosized constrictions are investigated using nonequilibrium molecular dynamics simulations. The results show that the nanosized constrictions have a significant influence on the thermal transport properties of graphene. The thermal resistance of the nanosized constrictions is on the order of 107 to 109 K/W at 150 K, which reduces the thermal conductivity by 7.7% to 90.4%. It is also found that the constriction resistance is inversely proportional to the width of the constriction and independent of the heat current. Moreover, we developed an analytical model for the ballistic thermal resistance of the nanosized constrictions in two-dimensional nanosystems. The theoretical prediction agrees well with the simulation results in this paper, which suggests that the thermal transport across the nanosized constrictions in two-dimensional nanosystems is ballistic in nature.PACS65.80.CK; 61.48.Gh; 63.20.kp; 31.15.xv
Highlights
Graphene is a two-dimensional (2D) material formed of the honeycomb lattice of sp2-bonded carbon atoms
This paper presents the effect of the nanosized constrictions on the thermal transport properties of graphene studied by the nonequilibrium molecular dynamics (NEMD) simulations
Systems of rectangular graphene sheets with various nanosized constrictions are constructed by embedding linear vacancy defects and the thermal transport properties are investigated by using nonequilibrium molecular dynamics method
Summary
Graphene is a two-dimensional (2D) material formed of the honeycomb lattice of sp2-bonded carbon atoms. As Balandin et al [1,2] demonstrated, the thermal conductivity of graphene is up to 5,400 W/(m · K), which makes it one of the most promising base materials for next-generation electronics and thermal management [2,3,4,5,6]. Compared with other high-conductivity materials, such as carbon nanotubes [7,8,9], graphene is much easier to be fashioned into a broad range of shapes. Such flexibility makes possible the utilization of graphene. Many scholars have demonstrated that these defects are obstacles to heat transfer and create additional sources of phonon scattering in graphene [12,13,14,15,16], especially when the characteristic dimension is less than the phonon mean free path (approximately 775 nm at room temperature)
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