Phonon Boltzmann Transport Equation Based Simulation of Frequency Domain Thermoreflectance Experiments

Abstract

The Boltzmann Transport equation (BTE) was solved numerically in cylindrical coordinates and in time domain to simulate a Frequency Domain Thermo-Reflectance (FDTR) experiment. First, a parallel phonon BTE solver that accounts for all phonon modes, frequencies, and polarizations was developed and tested. The solver employs the finite-volume method (FVM) for discretization of physical space, and the finite-angle method (FAM) for discretization of angular space. The solution was advanced in time using explicit time marching. The simulations were carried out in time domain and band-based parallelization of the BTE solver was implemented. The phase lag between the temperature averaged over the probed region of the transducer and the modulated laser pump signal was extracted for a pump laser modulation frequency ranging from 20–200 MHz. It was found that with the relaxation time scales used in the present study, the computed phase lag is underpredicted when compared to experimental data, especially at smaller modulation frequencies. The challenges in solving the BTE for such applications are highlighted.