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

Fatemeh Rezaee, Farrokh Yousefi and Farhad Khoeini

Physica A: Statistical Mechanics and its Applications, 2021, vol. 564, issue C

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 nanostructure. The thermal conductivity is investigated using non-equilibrium molecular dynamics (NEMD) simulation and employing the Fourier’s law. We examine the effects of the length, temperature, and also the uniaxial 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.

Keywords: Twin graphene; Thermal conductivity; Tuning thermal properties; Molecular dynamics (search for similar items in EconPapers)
Date: 2021
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:564:y:2021:i:c:s0378437120308402

DOI: 10.1016/j.physa.2020.125542

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