Sökning: "Boltzmanns transportekvation"

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  1. 1. First principles investigation of the thermal conductivity of Zr, ZrC, and ZrN

    Master-uppsats, KTH/Fysik

    Författare :Daniel Karlsson; [2023]
    Nyckelord :Electron-phonon interaction; Density functional theory; Boltzmann transport equation; first-principles; thermal conductivity; electrical resistivity; Abinit; Phono3py; Elektron-fononväxelverkan; täthetsfunktionalteori; Boltzmanns transportekvation; värmeledningsförmåga; elektrisk resistivitet; Abinit; Phono3py;

    Sammanfattning : 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