Quantum mechanical analyses of nanoscale phonon transport

纳米级声子输运的量子力学分析

基本信息

批准号：
19F19353
负责人：
野村政宏
金额：
$ 1.02万
依托单位：
The University of Tokyo
依托单位国家：
日本
项目类别：
Grant-in-Aid for JSPS Fellows
财政年份：
2019
资助国家：
日本
起止时间：
2019-11-08 至 2022-03-31
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-19F19353/
关键词：
phonon phonon hydrodynamics quantum heat transport phonon NEGF formalism recursive algorithm phonon vortex Anharmonic phonon NEGF Fourier’s representation MPI parallelization heat transport

项目摘要

The research achievements under the support of JSPS fellowship mainly include three aspects:(1) We develop the three-dimensional anharmonic phonon non-equilibrium Green’s function formalism, and a parallelized computational framework for large-scale quantum heat transport simulation. With the new methodology, the open question of how anharmonic phonon-phonon scattering plays the role in heat transport at solid-solid interface is studied with a local spectral energy exchange decomposition scheme. Also we present a novel path to demonstrate phonon localization in graded superlattices and a thermal conductivity minimum phenomenon in the quantum coherent regime.(2) We develop a mesoscopic simulation framework based on the phonon Boltzmann equation under Callaway’s dual relaxation model with fully ab initio input of phonon properties for both isotropic and anisotropic material systems. With the new method, we investigate the size effect of phonon hydrodynamics in graphitic nano- and micro-structures, and promote the experimental observation of phonon Poiseuille flow in micro-meter-scale isotopically purified graphite ribbon.(3) We develop a coupled model for heat transport along polar dielectric nanostructures via phonons and surface phonon polaritons. A universal quantum of two-dimensional heat transport in ultrathin polar films is derived for surface phonon polaritons. The non-linear temperature profile due to the coupled dynamics is also demonstrated.

在JSP奖学金的支持下的研究成就主要包括三个方面：（1）我们开发了三维的Anharmonic声子非平衡的绿色功能形式，以及用于大规模量子热传输模拟的并行计算框架。借助新的方法，对于固相固体界面的热传输中，非谐声声子 - 音纸散射如何在局部光谱能量交换方案中扮演的开头问题。 Also we present a novel path to demonstrate phonon localization in graded superlattices and a thermal conductivity minimum phenomenon in the quantum coherent regime.(2) We develop a mesoscopic simulation framework based on the phonon Boltzmann equation under Callaway’s dual relaxation model with fully ab initio input of phonon properties for both isotropic and anisotropic material systems.使用新方法，我们研究了语音纳米和微结构中声子流体动力学的尺寸效应，并促进了对同位素纯化的石墨色素色调中声子Poiseuille流的实验性观察。（3）我们开发了通过Palloic nanostress通过Polaric Nananostroms和Chore Surface phonon Polaron Polor polariton和Pallos polaron Polaritiity开发的辅助模型。超薄极性膜中的二维热传输的通用量子是为表面声子极化子得出的。还证明了由于耦合动力学引起的非线性温度曲线。