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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   5 nm domain. The intralayer thermal conductivity values are pr...

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Main Authors: Wemhoff, Aaron P., Khadem, Masoud H.
Language:English
Online Access:http://digital.library.villanova.edu/Item/vudl%3A454701
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