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Accurate Prediction Of Spectral Phonon Relaxation Time And Thermal Conductivity Of Intrinsic And Perturbed Materials, Tianli Feng

Open Access Theses

The prediction of spectral phonon relaxation time, mean-free-path, and thermal conductivity can provide significant insights into the thermal conductivity of bulk and nanomaterials, which are important for thermal management and thermoelectric applications. We perform frequency-domain normal mode analysis (NMA) on pure bulk argon and pure bulk germanium. Spectral phonon properties, including the phonon dispersion, relaxation time, mean free path, and thermal conductivity of argon and germanium at different temperatures have been calculated. We find the dependence of phonon relaxation time τ on frequency ω and temperature T vary from ~ω^-1.3 to ~ω^-1.8 and ~T^-0.8 to ~T^{-1.8 …}