Sökning: "Phono3py"
Hittade 1 uppsats innehållade ordet Phono3py.
1. First principles investigation of the thermal conductivity of Zr, ZrC, and ZrN
Master-uppsats, KTH/FysikSammanfattning : The thermal conductivity and electrical resistivity of Zr, ZrC, and ZrN were calculated using first-principles density functional theory (DFT) and the Boltzmann transport equation. The electron-phonon scattering was modeled via the self-energy relaxation time approximation (SERTA), and the phonon-phonon scattering via the analogous single-mode relaxation time approximation (SMRTA). LÄS MER
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