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...
|Journal Title:||Chemical Physics Letters Vol. 574; pp. 78 - 82|
|Authors:||Aaron Wemhoff, Masoud H. Khadem|