Tunable Thermal Transport and Thermal Rectification in Strained Graphene Nanoribbons

TL;DR

This study uses molecular dynamics simulations to explore how strain affects thermal transport and rectification in graphene nanoribbons, revealing significant rectification effects and providing a theoretical framework for understanding stress-induced thermal behavior.

Contribution

It introduces a theoretical model for thermal rectification in strained graphene nanoribbons and demonstrates significant rectification effects through molecular dynamics simulations.

Findings

Thermal rectification over 70% achieved in strained GNRs.

Heat flux direction depends on stress distribution.

Theoretical framework explains conditions for rectification.

Abstract

Using molecular dynamics(MD) simulations, we study thermal transport in graphene nanoribbons (GNR) subjected to uniform uniaxial and nonuniform strain fields. We predict significant thermal rectification (over 70%) in a rectangular armchair GNR by applying a transverse force asymmetrically. The heat flux is larger from the less stressed region to the more stressed region. Furthermore, we develop a theoretical framework based on the non-equilibrium thermodynamics to discuss when thermal rectification under a stress gradient can occur. We conclude with a discussion of details relevant to experiment.