Transient and steady state heat transport in layered materials from molecular dynamics simulation

Transient and steady state heat transport in layered materials from molecular dynamics simulation
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分子动力学模拟中层状材料的瞬态和稳态热传输

DOI:
10.1016/j.ijheatmasstransfer.2017.12.094
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发表时间:
2018-06
影响因子:
5.2
通讯作者:
Chen Yunfei
Chen Yunfei
中科院分区:
工程技术2区
文献类型:
--
作者:
Liu Chenhan;Chen Weiyu;Tao Yi;Yang Juekuan;Chen Yunfei

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In this paper, both transient and steady state heat transfer in graphite are investigated with molecular dynamics (MD) simulations. The simulation results demonstrate that elastic anisotropy controls heat transfer in the transient state, which makes the outermost isothermal surface of temperature distribution similar to the phonon group velocity surface that has a shape of very flat ellipse in layered materials. In steady state, with the help of phonons engaging in sufficient scattering, the basal plane phonon modes determine the thermal conductivity along all directions except those very close to the cross plane. Our simulation results confirm that the classical theoretical model can accurately predict the thermal conductivity along arbitrary directions in layered materials.
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