Fig. 1: A twist angle graphene model. | npj Computational Materials

Fig. 1: A twist angle graphene model.

From: Machine learning revealed giant thermal conductivity reduction by strong phonon localization in two-angle disordered twisted multilayer graphene

Fig. 1

a Top panel forms a Moiré lattice in the twist angle graphene. At the bottom of the graph (a), using relative Position AA, AB represents the two stacking modes, the red and green atoms represent the upper and lower layer of atoms respectively. b Calculating thermal conductivity of multiple layers of disorderly twisted graphene. Two blue boxes are fixed during the simulation, and then we apply the Langevin thermostat to add into the two layers marked by the red (heat source) and green (heat sink) rectangle, causing thermal bias. The arrow indicates the direction of the vertical heat flux, while periodic boundary conditions are applied in the in-plane direction.

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