Thermal properties of bended graphene nanoribbons from nonequilibrium molecular dynamics

We have studied the thermal properties of bended graphene nanoribbons (GNRs) using nonequilibrium molecular dynamics simulations. The thermal conductivity of bended GNRs shows a non-monotonous relationship with the bending angle, due to the influence of chirality and Kapitza conductance. When a constant heat flux is allowed to flow, sharp temperature jump is observed at the inside corner. On the basis of the magnitude of these jumps, we have computed the Kapitza conductance as a function of bending angles. Besides, modification of the inside corner is applied to change the ability of heat transfer at the bending place. Equations to obtain the thermal conductivity of the whole structure from the thermal conductivity of each part have been derived to guide us for GNR-interconnected circuits design.