Impact of tensile strain on the thermal transport of zigzag hexagonal boron nitride nanoribbon: An equilibrium molecular dynamics study

IA Navid and AI Khan and S Subrina, MATERIALS RESEARCH EXPRESS, 5, 025015 (2018).

DOI: 10.1088/2053-1591/aaaa89

The thermal conductivity of single layer strained hexagonal boron nitride nanoribbon (h-BNNR) has been computed using the Green-Kubo formulation of Equilibrium Molecular Dynamics (EMD) simulation. We have investigated the impact of strain on thermal transport of h-BNNR by varying the applied tensile strain from 1% upto 5% through uniaxial loading. The thermal conductivity of h-BNNR decreases monotonically with the increase of uniaxial tensile strain keeping the sample size and temperature constant. The thermal conductivity can be reduced upto 86% for an applied uniaxial tensile strain of 5%. The impact of temperature and width variation on the thermal conductivity of h-BNNR has also been studied under different uniaxial tensile strain conditions. With the increase in temperature, the thermal conductivity of strained h-BNNR exhibits a decaying characteristics whereas it shows an opposite pattern with the increasing width. Such study would provide a good insight on the strain tunable thermal transport for the potential device application of boron nitride nanostructures.

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