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Sampling-accelerated prediction of phonon scattering rates for converged thermal conductivity and radiative properties - npj Computational Materials

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Sampling-accelerated prediction of phonon scattering rates for converged thermal conductivity and radiative properties - npj Computational Materials

The prediction of thermal conductivity and radiative properties is crucial. However, computing phonon scattering, especially for four-phonon scattering, could be prohibitively expensive, and the thermal conductivity for silicon after considering four-phonon scattering is significantly under-predicted and not converged in the literature. Here we propose a method to estimate scattering rates from a small sample of scattering processes using maximum likelihood estimation.

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Sampling-accelerated prediction of phonon scattering rates for converged thermal conductivity and radiative properties - npj Computational Materials

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Sampling-accelerated prediction of phonon scattering rates for converged thermal conductivity and radiative properties - npj Computational Materials

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