本文基于非平衡分子动力学模拟方法研究了带有纳米尺寸约束结构的石墨烯的热阻特性。模拟结果表明,能量在穿过尺寸远小于声子平均自由程的约束通道时会产生量级为10~7~10~8K/W的弹道热阻,该热阻与导热条件无关,但具有明显的尺度相关性,与约束通道宽度成倒数关系。此外,推导了二维材料的弹道热阻模型,该模型与模拟结果符合很好。
The thermal resistance of graphene with nanoscale constriction is investigated using non-equihbrium molecular dynamics simulation.The results show that when energy passing through the nanoscale constriction,much smaller than phonon mean free path of graphene in size,a ballistic thermal resistance on the order of 10~7~10~8 K/W is introduced.It is also found that the thermal resistance is independent of the heat-conduction condition and inversely proportional to the width of the constriction.What's more,we develop a theoretical model for ballistic thermal resistance of two-dimensional systems.