论文标题

从绿色 - 库博到完整的玻尔兹曼动力学方法,再到晶体和眼镜中的热传输

From Green-Kubo to the full Boltzmann kinetic approach to heat transport in crystals and glasses

论文作者

Fiorentino, Alfredo, Baroni, Stefano

论文摘要

我们表明,绝缘体中热传输的准谐波绿色kubo理论自然会导致电导率表达的概括,而当完整散射矩阵的效果被解释时。我们的结果是从Mori-Zwanzig记忆功能形式主义获得的,它提供了线性化的玻尔兹曼传输方程的完全启发,并在最近提出的两种统一的统一方法之间建立了连接,用于绝缘晶体和玻璃中的热传输。

We show that vertex corrections to the quasi-harmonic Green-Kubo theory of heat transport in insulators naturally lead to a generalisation of the expression for the conductivity that could be derived from the linearized Boltzmann equation, when the effects of the full scattering matrix are accounted for. Our results, which are obtained from the Mori-Zwanzig memory-function formalism, provide a fully ab initio derivation of the linearized Boltzmann transport equation and establish a connection between two recently proposed unified approaches to heat transport in insulating crystals and glasses.

扫码加入交流群

加入微信交流群

微信交流群二维码

扫码加入学术交流群,获取更多资源