Heat transfer in strained twin graphene: A non-equilibrium molecular dynamics simulation

TL;DR

This study uses non-equilibrium molecular dynamics to analyze how length, temperature, and strain affect thermal conductivity in twin graphene, revealing ways to tune its heat transfer properties for electronic cooling applications.

Contribution

It provides new insights into how strain and size influence thermal conductivity in twin graphene, a recently introduced 2D carbon structure.

Findings

Thermal conductivity increases with system length.

Conductivity slightly decreases with higher temperature.

Strain up to 0.02 enhances conductivity, then decreases.

Abstract

In this work, we study the thermal energy transport properties of twin graphene, which has been introduced recently as a new two-dimensional carbon nano structure. The thermal conductivity is investigated using non-equilibrium molecular dynamics simulation. We examine the effects of the length, temperature, and also the uni axial strain along with both armchair and zigzag directions. We found that the conductivity increases with growing the system length, while that slightly decreases with increasing the mean temperature of the system. Moreover, it is shown that the applied strain up to 0.02 will increase the thermal conductivity, and in the interval 0.02-0.06, it has a decreasing trend which can be used for tuning the thermal properties. Finally, the phonon density of states is investigated to study the behavior of thermal conductivity, fundamentally. We can control the thermal properties of the system with changing parameters such as strain. Our results may be important in the design of cooling electronic devices and thermal circuits.