|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Atomistic Simulations
||Peak Intrinsic Thermal Conductivity in Non-metallic Solids and New Interpretation of Experimental Data for Argon
||Ahmed Hamed, Anter El-Azab
|On-Site Speaker (Planned)
The effect of phonon lineshape, which is the eigenenergy broadening of normal modes due to crystal anharmonicity, on 3-phonon scattering rates is investigated, within the harmonic approximation and the framework of perturbation theory and linearized Boltzmann equation. Strikingly, using the actual shape (Lorentzian distribution) has a critical role in activating umklapp processes at low temperature: leading to intrinsic thermal conductivity peak at finite temperature for perfect crystal. The good agreement with experiment indicates that phonon-phonon interactions dominate over the entire temperature range in solid Ar, contrary to previous hypotheses that the low temperature regime is dominated by phonon scattering by defects.
||Planned: Supplemental Proceedings volume