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29 juillet 2013

Sensors | Free Full-Text | Effect of Tensile Strain on Thermal Conductivity in Monolayer Graphene Nanoribbons: A Molecular Dynamics Study

Sensors | Free Full-Text | Effect of Tensile Strain on Thermal Conductivity in Monolayer Graphene Nanoribbons: A Molecular Dynamics Study

Jianwei Zhangl, Xiaodong He, Lin Yang , Guoqiang Wu , Jianjun Sha , Chengyu Hou, Cunlu Yin , Acheng Pan , Zhongzhou Li and Yubai Liu

Abstract: The thermal conductivity of monolayer graphene nanoribbons (GNRs) with different tensile strain is investigated by using a nonequilibrium molecular dynamics method. Significant increasing amplitude of the molecular thermal vibration, molecular potential energy vibration and thermal conductivity vibration of stretching GNRs were detected. Some 20%~30% thermal conductivity decay is found in 9%~15% tensile strain of GNR cases. It is explained by the fact that GNR structural ridges scatter some low-frequency phonons which pass in the direction perpendicular to the direction of GNR stretching which was indicated by a phonon density of state investigation.