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應(yīng)變影響下單晶Ge薄膜熱導(dǎo)率分析
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機(jī)電工程學(xué)院,機(jī)電工程學(xué)院,大連理工大學(xué)

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O484.3

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中央高?;究蒲袠I(yè)務(wù)費(fèi)專項資金項目


Strain effect analysis on thermal conductivity of Ge thin films
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College of Mechanical and Electrical Engineering,Northeast Forestry University,College of Mechanical and Electrical Engineering,Northeast Forestry University,The state Key Laboratory of Structural Analysis for Industrial Equipment,Dalian University of Technology

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    摘要:

    利用非平衡態(tài)分子動力學(xué)模擬方法研究了應(yīng)變對Ge薄膜熱導(dǎo)率的影響。結(jié)果表明系統(tǒng)應(yīng)變對單晶Ge薄膜熱導(dǎo)率產(chǎn)生明顯影響,熱導(dǎo)率隨著拉伸應(yīng)變的增大而減小,隨著壓縮應(yīng)變的增大而增大,得出聲子速率降低以及薄膜表面重構(gòu)是產(chǎn)生該模擬結(jié)果的內(nèi)在原因。同時,采用修正的Callaway模型對NEMD結(jié)果進(jìn)行理論驗證,兩種方法得到的結(jié)果吻合得較好。理論結(jié)果表明應(yīng)變弛豫時間對Ge單晶薄膜的熱導(dǎo)率產(chǎn)生了重要影響。

    Abstract:

    Nonequilibrium molecular dynamics (NEMD) simulations are investigated to obtain an understanding of the effect of strains on the thermal conductivity of Ge thin films. The results show that the strains have an appreciable influence on the thermal conductivity of Ge thin films. The thermal conductivity decreases as the tensile strain increases and increases as the compressive strain increases. It is explained by the fact that the decrease of the phonons velocities and the surface reconstructions. Meanwhile, a theoretical calculation basing on Modified-Callaway model under different strains is performed to assess our NEMD simulation results. We find that the theoretical results closely match the molecular dynamics results. The theoretical analysis reveals that the contributions of the relaxation time on strains are very important to the thermal conductivity of Ge thin films.

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張興麗,鞏翠芝,吳國強(qiáng).應(yīng)變影響下單晶Ge薄膜熱導(dǎo)率分析[J].稀有金屬材料與工程,2017,46(2):370~374.[Zhang Xingli, Gong Cuizhi, Wu Guoqiang. Strain effect analysis on thermal conductivity of Ge thin films[J]. Rare Metal Materials and Engineering,2017,46(2):370~374.]
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歷史
  • 收稿日期:2016-03-09
  • 最后修改日期:2016-04-09
  • 錄用日期:2016-04-27
  • 在線發(fā)布日期: 2017-04-10
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