Molecular Dynamics Predictions of the Influence of Graphite Stacking Arrangement on the Thermal Conductivity Tensor

The effect of stacking configuration on the phonon-based thermal conductivity of graphite is investigated using equilibrium molecular dynamics. Hexagonal (AAA), Bernal (ABA), and Rhombohedral (ABC) stacking forms are considered in a 5 x 5 nm domain. The intralayer thermal conductivity values are pre...

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Journal Title: Chemical Physics Letters Vol. 574; pp. 78 - 82
Authors: Aaron Wemhoff, Masoud H. Khadem
Format: Article
Language: English
Published: 06/14/2013