论文标题
石墨烯-C3B连接中的热整流中的声子模式贡献：一项分子动力学研究
Phonon modes contribution in thermal rectification in graphene-C3B junction: A molecular dynamics study
论文作者
论文摘要
在使用非平衡分子动力学模拟的这项工作中，我们在正温温度梯度下实施了一系列模拟，以研究石墨烯C3B联合GCB中的热整流。获得热矫正对热浴和冷浴之间温度差的依赖性。我们在这里提出的重要数量是平面声子模式在热整流中的贡献。我们看到Y模式具有高和正的热整流，而X和Z模式具有小和负的热整流。 Y模式的热矫正急剧增加超过t 30 k至150，但X和Z模式通过增加的结果缓慢降低，我们的结果表明，Y模式在热矫正中具有重要作用，此外，通过状态DOS的dos dos Sente dos the The The The The The The The The The Thermanting机制也会导致热矫正机制，并导致Kapitza耐药性。
In this work using non-equilibrium molecular dynamics simulation we implement a series of simulation under positive and negative temperature gradient in order to investigate the thermal rectification in the graphene C3B junction GCB. The dependence of thermal rectification on temperature difference between the hot and the cold baths is obtained. The important quantity that we present here is the inplanes and out of plane phonon modes contribution in the thermal rectification. We see that the Y mode has high and positive thermal rectification while that the X and Z modes have small and negative thermal rectifications. Thermal rectification for Y mode increases sharply beyond T 30 K to 150 but for X and Z modes decrease slowly by increasing T Our results show that Y mode has major role in the thermal rectification Moreover the underlying mechanisms that leads to the thermal rectification and also Kapitza resistance at the interface are studied via the phonon density of states DOS
