Analytical Green's Function of Multidimensional Boltzmann Transport Equation for Modeling Hydrodynamic Second Sound

Fuente: arXiv
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Main Authors: Qian, Xin, Zhang, Chuang, Liu, Te-Huan, Yang, Ronggui
Format: Preprint
Published: 2024
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author Qian, Xin
Zhang, Chuang
Liu, Te-Huan
Yang, Ronggui
author_facet Qian, Xin
Zhang, Chuang
Liu, Te-Huan
Yang, Ronggui
contents Hydrodynamic second sound can be generated by heat pulses when the phonon-phonon interaction is dominantly momentum conserving, and the propagation of the temperature field becomes wavelike rather than diffusive. While the Boltzmann transport equation (BTE) has been widely applied to study phonon dynamics and thermal transport at the nanoscale, modeling the hydrodynamic transport regime remains challenging. The widely used relaxation time approximation (RTA) treats all phonon interactions as resistive without considering momentum conservation, resulting in the absence of phonon hydrodynamics. Rigorously solving BTE by inverting the full scattering matrix, however, is extremely computationally demanding and has been only applied to model one-dimensional temperature variations. Here, we present an analytical Green's function formalism for solving multidimensional Boltzmann transport equation (BTE) using phonon properties from first-principles calculations. This formalism involves Callaway's scattering approximation with separate relaxation times for momentum-conserving and momentum-destroying scattering events. The Green's function captures phonon dynamics in a wide range of temperature, spatial, and temporal scales, and successfully reproduces the transition from ballistic, hydrodynamic, to diffusive transport regimes. Our method avoids the computationally demanding inversion of large scattering matrices and shows good accuracies in predicting the temperature oscillation in ultrafast pump-probe characterizations with different geometries of thermal excitation.
format Preprint
id arxiv_https___arxiv_org_abs_2410_20146
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Analytical Green's Function of Multidimensional Boltzmann Transport Equation for Modeling Hydrodynamic Second Sound
Qian, Xin
Zhang, Chuang
Liu, Te-Huan
Yang, Ronggui
Materials Science
Hydrodynamic second sound can be generated by heat pulses when the phonon-phonon interaction is dominantly momentum conserving, and the propagation of the temperature field becomes wavelike rather than diffusive. While the Boltzmann transport equation (BTE) has been widely applied to study phonon dynamics and thermal transport at the nanoscale, modeling the hydrodynamic transport regime remains challenging. The widely used relaxation time approximation (RTA) treats all phonon interactions as resistive without considering momentum conservation, resulting in the absence of phonon hydrodynamics. Rigorously solving BTE by inverting the full scattering matrix, however, is extremely computationally demanding and has been only applied to model one-dimensional temperature variations. Here, we present an analytical Green's function formalism for solving multidimensional Boltzmann transport equation (BTE) using phonon properties from first-principles calculations. This formalism involves Callaway's scattering approximation with separate relaxation times for momentum-conserving and momentum-destroying scattering events. The Green's function captures phonon dynamics in a wide range of temperature, spatial, and temporal scales, and successfully reproduces the transition from ballistic, hydrodynamic, to diffusive transport regimes. Our method avoids the computationally demanding inversion of large scattering matrices and shows good accuracies in predicting the temperature oscillation in ultrafast pump-probe characterizations with different geometries of thermal excitation.
title Analytical Green's Function of Multidimensional Boltzmann Transport Equation for Modeling Hydrodynamic Second Sound
topic Materials Science
url https://arxiv.org/abs/2410.20146