title: Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation.
abstract: Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size of 4 nm × 15 nm) under the shear strain. Our studies show that the thermal conductivity of GNRs is not sensitive to the shear strain, and the thermal conductivity decreases only 12-16% before the pristine structure is broken. Furthermore, the phonon frequency and the change of the micro-structure of GNRs, such as band angel and bond length, are analyzed to explore the tendency of thermal conductivity. The results show that the main influence of shear strain is on the in-plane phonon density of states (PDOS), whose G band (higher frequency peaks) moved to the low frequency, thus the thermal conductivity is decreased. The unique thermal properties of GNRs under shear strains suggest their great potentials for graphene nanodevices and great potentials in the thermal managements and thermoelectric applications.
authors.affiliation: College of Water Resources and Architectural Engineering, Northwest A&F University, 712100 Yangling, P.R. China.|Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar, Germany.
authors.forename: Chao
authors.initials: C
authors.lastname: Zhang
authors.affiliation: College of Water Resources and Architectural Engineering, Northwest A&F University, 712100 Yangling, P.R. China.
authors.forename: Xiao-Li
authors.initials: XL
authors.lastname: Hao
authors.affiliation: Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar, Germany.
authors.forename: Cui-Xia
authors.initials: CX
authors.lastname: Wang
authors.affiliation: College of Water Resources and Architectural Engineering, Northwest A&F University, 712100 Yangling, P.R. China.
authors.forename: Ning
authors.initials: N
authors.lastname: Wei
authors.affiliation: Division of Computational Mechanics, Ton Duc Thang University, Ho Chi Minh City, Vietnam.|Faculty of Civil Engineering, Ton Duc Thang University, Ho Chi Minh City, Vietnam.|Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar, Germany.
authors.forename: Timon
authors.initials: T
authors.lastname: Rabczuk