# Thermal rectifier based on asymmetric interaction of molecular chain with thermostats

## TL;DR

This paper proposes a thermal rectifier mechanism based on asymmetric interactions at the molecular chain ends with thermostats, achieving up to 25% rectification efficiency, especially applicable to carbon nanoribbons and nanotubes.

## Contribution

It introduces a novel rectification mechanism based on end interaction asymmetry, independent of chain asymmetry, with potential applications in nanostructures.

## Key findings

- Rectification efficiency up to 25% under optimal conditions
- Numerical simulations show 14% rectification in nanoribbons
- Numerical simulations show 22% rectification in nanotubes

## Abstract

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.