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Thermal Conductivity.pdf

d1cp02347k1.pdf

🔗 Source: rsc.org

📊 Size: 856 KB

👤 Author: ASUS

⬇️ Downloads: 190

Summary

Thermal conductivity of tetrahedral carbon allotropes converges rapidly in Q space, with grid convergence of 5×5×17 and 7×7×28 for C32 and C36, respectively. Convergence tests show that thermal conductivity differences are within 10% for cutoff distances near the fifth neighbor. The thermal conductivity of C32, C36, and C94 decreases with increasing temperature and tends to be flat after reaching a certain temperature, with Diamond and C94 being isotropic and C32 and C36 being anisotropic. Low-frequency phonons contribute most to the total thermal conductivity, with 90% of the contribution coming from phonons with lower frequencies. Phonon spectral energy density analysis is used to obtain phonon lifetimes, with equations provided for calculating phonon normal modes and spectral energy density.

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Description

Thermal conductivity of tetrahedral carbon allotropes converges rapidly in Q space, with grid convergence of 5×5×17 and 7×7×28 for C32 and C36, respectively.

Technical Information

File Format: PDF
File Size: 856 KB
Pages: 6
Language: EN
Author: ASUS
Total Downloads: 190
Last Updated: 1 week ago

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