Thermal rectifiers based on asymmetric interaction of molecular chains, carbon nanoribbons, and nanotubes with thermostats

摘要

The model of thermal rectifier based on the asymmetry of interaction of the molecular chain ends with thermostats is proposed in this work. The rectification mechanism is not related to the chain asymmetry but to the asymmetry of the interaction of chain ends with thermostats, for instance, due to different lengths of the end thermostats. The chain can be homogeneous, it is only important that the thermal conductivity of the chain should depend on temperature strict monotonically. The effect is maximal when convergence of the thermal conductivity with increasing length just begins to manifest itself. In this case, the efficiency of thermal rectification can reach 25%. These conditions are met for carbon nanoribbons and nanotubes. Therefore, they can be ideal objects for the construction of thermal rectifiers based on the asymmetric interaction with thermostats. Numerical simulation of heat transfer shows that the rectification of heat transfer can reach 14% for nanoribbons and 22% for nanotubes.