most citedFurther improvement of lattice thermal conductivity from bulk crystalline to 1-D-chain polyethylene: A high-yet-finite thermal conductivity using first-principles calculation

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cond-mat.mes-hall2017★ 3 cited

Further improvement of lattice thermal conductivity from bulk crystalline to 1-D-chain polyethylene: A high-yet-finite thermal conductivity using first-principles calculation

Xinjiang Wang, Massoud Kaviany, Baoling Huang

We calculate the thermal conductivity (\k{appa}) of both bulk crystalline and single-chain polyethylene (PE) using the first-principles-based anharmonic lattice dynamics. Despite i…