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Thermal wave propagation in graphene studied by molecular dynamics simulations 被引量:6

Thermal wave propagation in graphene studied by molecular dynamics simulations
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摘要 The transient heat conduction in both armchair and zigzag-edged graphene ribbons pulsed by local heating with a duration of 1 ps was studied using nonequilibrium molecular dynamics simulations. The results show that the heat pulse excites two waves which indicates non-Fourier heat conduction. One of the two waves is a sound wave(first sound), which has macroscopic momentum and propagates at the speed of sound. The other is a thermal wave(second sound), whose propagation speed is 1=ffiffi3pof the sound velocity. The sound wave excited by the heat pulse is a longitudinal wave, whose energy is only transported in the longitudinal direction. The thermal wave excited by the heat pulse is generated by transverse lattice vibrations, with the energy only having the transverse component. The observed anisotropy of the transient heat conduction suggests that the system is in a non-equilibrium state during propagation of the heat pulse. Further statistical analyses show that the displacement of the heat pulse energy is related to the time as hr2 i / t1:80, which implies that heat transport is ballistic-diffusive transport in graphene. The higher proportion of the ballistic transport will lead to stronger heat waves. At the crest of the thermal wave, energy is transported ballistically, while in the diffusive region and during attenuation of the thermal wave,the energy is transported diffusively. The transient heat conduction in both armchair and zigzag-edged graphene ribbons pulsed by local heating with a duration of 1 ps was studied using nonequilibrium molecular dynamics simulations. The results show that the heat pulse excites two waves which indicates non-Fourier heat conduction. One of the two waves is a sound wave (first sound), which has macroscopic momentum and propagates at the speed of sound. The other is a thermal wave (second sound), whose propagation speed is 1/√3 of the sound velocity. The sound wave excited by the heat pulse is a longitudinal wave, whose energy is only transported in the longitudinal direction. The thermal wave excited by the heat pulse is generated by transverse lattice vibrations, with the energy only having the transverse component. The observed anisotropy of the transient heat conduction suggests that the system is in a non-equilibrium state during propagation of the heat pulse. Further statistical analyses show that the displacement of the heat pulse energy is related to the time as 〈σ2〉 ∝ t^1.80, which implies that heat transport is ballistic-diffusive transport in graphene. The higher proportion of the ballistic transport will lead to stronger heat waves. At the crest of the thermal wave, energy is transported ballistically, while in the diffusive region and during attenuation of the thermal wave, the energy is transported diffusively.
出处 《Chinese Science Bulletin》 SCIE EI CAS 2014年第27期3495-3503,共9页
基金 supported by the National Natural Science Foundation of China (51322603, 51136001, 51356001) the Science Fund for Creative Research Groups (51321002) the Program for New Century Excellent Talents in University Tsinghua University Initiative Scientific Research Program the Tsinghua National Laboratory for Information Science and Technology of China
关键词 分子动力学模拟 波传播 石墨 脉冲持续时间 非傅立叶热传导 脉冲能量 瞬态热传导 非平衡状态 Graphene Thermal wave Ballistic- diffusive transport - Molecular dynamics simulations
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