Thermal Conductivity of Graphene Moiré Superlattices at Small Twist Angles: An Approach-to-Equilibrium Molecular Dynamics and Boltzmann Transport Study

We investigate the thermal conductivity of graphene Moiré superlattices formed by twisting bilayer graphene (TBG) at small angles, employing approach-to-equilibrium molecular dynamics and lattice dynamics calculations based on the Boltzmann Transport Equation. Our simulations reveal a non-monotonic...

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Bibliographic Details

Published in:	C
Main Authors:	Lorenzo Manunza, Riccardo Dettori, Antonio Cappai, Claudio Melis
Format:	Article
Language:	English
Published:	MDPI AG 2025-06-01
Subjects:	graphene Moiré molecular dynamics approach-to-equilibrium molecular dynamics lattice dynamics Boltzmann Transport Equation
Online Access:	https://www.mdpi.com/2311-5629/11/3/46