论文标题
紧张的双石墨烯中的传热：非平衡分子动力学模拟
Heat transfer in strained twin graphene: A non-equilibrium molecular dynamics simulation
论文作者
论文摘要
在这项工作中，我们研究了双石墨烯的热能传输性能，该特性最近作为新的二维碳纳米结构引入。使用非平衡分子动力学模拟研究了热导率。我们检查了长度，温度以及单轴轴向应变以及扶手椅和曲折方向的影响。我们发现，电导率随着系统长度的增加而增加，而随着系统的平均温度的增加，电导率略有下降。此外，结果表明，施加的应变高达0.02将增加导热率，在0.02-0.06的间隔中，它具有降低的趋势，可用于调整热性能。最后，研究状态的声子密度从根本上研究了热导率的行为。我们可以通过变化的参数（例如应变）来控制系统的热性能。我们的结果对于设计冷却电子设备和热电路的设计可能很重要。
In this work, we study the thermal energy transport properties of twin graphene, which has been introduced recently as a new two-dimensional carbon nano structure. The thermal conductivity is investigated using non-equilibrium molecular dynamics simulation. We examine the effects of the length, temperature, and also the uni axial strain along with both armchair and zigzag directions. We found that the conductivity increases with growing the system length, while that slightly decreases with increasing the mean temperature of the system. Moreover, it is shown that the applied strain up to 0.02 will increase the thermal conductivity, and in the interval 0.02-0.06, it has a decreasing trend which can be used for tuning the thermal properties. Finally, the phonon density of states is investigated to study the behavior of thermal conductivity, fundamentally. We can control the thermal properties of the system with changing parameters such as strain. Our results may be important in the design of cooling electronic devices and thermal circuits.
