Mechanical properties and thermal conductivity of the twisted graphene nanoribbons |
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Authors: | Haijun Shen |
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Institution: | 1. School of Aeronautics &2. Mechanics, Tongji University, Shanghai, China |
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Abstract: | Molecular dynamics method was used to simulate the twists of four GNRs (graphene nanoribbons), two AGNRs (armchair GNRs), and two ZGNRs (zigzag GNRs). Thermal conductivity of the length-fixing GNRs under torsion and at high temperature was calculated. It is found that the ZGNRs have better torsional rigidity than the AGNRs; under the torsional deformation of 34.2°/nm local buckling occurs in the length-fixing GNRs, and under the deformation of 22.8°/nm overall buckling occurs in the ones with free-length. In the range of investigated twist-angle and temperature, the thermal conductivity of the length-fixing GNRs decreases with the increase of torsional deformation and temperature. The wider GNRs have better anti-torsion capability and thermal conductivity. |
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Keywords: | GNR molecular dynamics torsional properties thermal conductivity |
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