声子
石墨烯
热导率
凝聚态物理
材料科学
联轴节(管道)
工作(物理)
平面(几何)
非平衡态热力学
化学物理
化学
纳米技术
物理
复合材料
热力学
几何学
数学
作者
Dongbo Li,Yang Hua,Lin Li,Ping Yang
摘要
The purpose of this work is to investigate the contribution of in-plane and out-of-plane phonon modes to interface thermal conductivities (ITC) of the Cu/graphene/Cu interface through nonequilibrium molecular dynamics simulations. The proportions of the ITC of the in-plane and out-of-plane phonon modes in the pristine ITC are 1.1% and 99.3%, respectively. Defect engineering can change the coupling strength between in-plane and out-of-plane phonon modes. There is a strong coupling between the in-plane and the out-of-plane phonon mode when the defect concentration is lower than 3%. Phonon coupling has been transformed into weak interaction when the defect concentration is higher than 3%. The high defect concentration can suppress the coupling between in-plane and out-of-plane phonon modes. The results of the phonon density of states show that the out-of-plane phonons are mainly concentrated at low frequencies, and the in-plane phonons are mainly concentrated at high frequencies. This work helps to understand the mechanism of heat transfer of the graphene-based interface and provides theoretical guidance for the application of graphene-based interface nanodevices.
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