Ab initio investigations on hydrodynamic phonon transport: From diffusion to convection
Ab initio investigations on hydrodynamic phonon transport: From diffusion to convection
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DOI：
10.1016/j.ijheatmasstransfer.2023.124988
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发表时间：
2024-03
影响因子：
5.2
通讯作者：
Huann-Der Wu;Yongjie Hu
中科院分区：
文献类型：
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作者：
Huann-Der Wu;Yongjie Hu
在经典理论中，固体中的热传导被认为是由温度梯度驱动的扩散过程，而流体传输被理解为涉及液体或气体的整体运动的对流过程。在不依赖于测量参数或唯象模型而直接建立在量子力学基础上的第一性原理框架下，我们观察和研究了固体热传导中能量载体的类流体对流输运。热输运，进行声子，在石墨中模拟通过求解玻尔兹曼输运方程，使用蒙特卡罗算法。为了捕获对流输运，声子分布偏离平衡玻色-爱因斯坦分布显着，我们确定声子相互作用usingab initioapproaches超越弛豫时间近似。石墨中动量守恒的强正散射的存在为流体动力学声子输运引入了一个机制。类似流体的功能，如涡流和射流，可视化和热扩散和流体对流的经典理论进行比较。我们对声子对流的研究从原子尺度和量子方面增强了对固体热传导的基本理解，为未来的微电子器件和其他热管理应用创新了热设计。这可能为后摩尔时代的散热挑战提供解决方案。
In classical theory, heat conduction in solids is regarded as a diffusion process driven by a temperature gradient, whereas fluid transport is understood as convection process involving the bulk motion of the liquid or gas. In the framework ofab initiotheory, which is directly built upon quantum mechanics without relying on measured parameters or phenomenological models, we observed and investigated the fluid-like convective transport of energy carriers in solid heat conduction. Thermal transport, carried by phonons, is simulated in graphite by solving the Boltzmann transport equation using a Monte Carlo algorithm. To capture convective transport, with phonon distributions deviating significantly from equilibrium Bose-Einstein distribution, we determined phonon interactions usingab initioapproaches that go beyond relaxation time approximations. The presence of strong momentum-conserved Normal scatterings in graphite introduces a regime for hydrodynamic phonon transport. Fluid-like features, such as vortex and jet flow, are visualized and compared with classical theories on heat diffusion and fluid convection. Our study on phonon convection enhances fundamental understandings of heat conduction in solids from both atomic scale and quantum aspects, innovating thermal designs for future microelectronic devices and other thermal management applications. This potentially offers solutions for heat dissipation challenges in the post-Moore era.