论文标题
通过调节层间质量分布，对界面热电导的最大化和最小化
Maximization and Minimization of Interfacial Thermal Conductance by Modulating the Mass Distribution of Interlayer
论文作者
论文摘要
调整界面热电导一直是纳米电子设备的热管理的关键任务。在这里，研究了界面热电导如何受到调节一维原子链层间质量分布的很大影响。通过非平衡的绿色功能和机器学习算法，计算了导热电导及其相应质量分布的最大/最小值。有趣的是，对应于最大热电导的质量分布不是一个简单的函数，例如以前的工作中预测的线性和指数分布，它类似于在线性分布周围的正弦曲线，对于更大的厚度互层。此外，通过分析声子传递光谱和状态密度来解释异常结果的机制。这项工作通过调节层间原子的质量分布来优化和设计界面热电导。
Tuning interfacial thermal conductance has been a key task for the thermal management of nanoelectronic devices. Here, it is studied how the interfacial thermal conductance is great influenced by modulating the mass distribution of the interlayer of one-dimensional atomic chain. By nonequilibrium Green's function and machine learning algorithm, the maximum/minimum value of thermal conductance and its corresponding mass distribution are calculated. Interestingly, the mass distribution corresponding to the maximum thermal conductance is not a simple function, such as linear and exponential distribution predicted in previous works, it is similar to a sinusoidal curve around linear distribution for larger thickness interlayer. Further, the mechanism of the abnormal results is explained by analyzing the phonon transmission spectra and density of states. The work provides deep insight into optimizing and designing interfacial thermal conductance by modulating mass distribution of interlayer atoms.
