Nonequilibrium molecular dynamics simulation of the in-plane thermal conductivity of superlattices with rough interfaces

Konstantinos Termentzidis; Patrice Chantrenne; Pawel Keblinski

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Nonequilibrium molecular dynamics simulation of the in-plane thermal conductivity of superlattices with rough interfaces

机译：粗糙界面超晶格面内导热系数的非平衡分子动力学模拟

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We report nonequilibrium molecular dynamics study of heat transfer in binary Lennard-Jones superlattices. The influence of the characteristic height of the interface roughness and the superlattice period on the in-plane thermal conductivity is reported. We observe that in-plane thermal conductivity first decreases with an increase in the characteristic height of the roughness. For perfectly periodic roughness, it seems that the thermal conductivity exhibit a minimum value when the characteristic height of the roughness becomes comparable with the superlattice period.

机译：我们报告了二元Lennard-Jones超晶格中传热的非平衡分子动力学研究。报道了界面粗糙度的特征高度和超晶格周期对面内热导率的影响。我们观察到，平面内热导率首先随粗糙度特征高度的增加而降低。对于完美的周期性粗糙度，当粗糙度的特征高度变得与超晶格周期相当时，导热系数似乎呈现最小值。

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来源
《Physical review》 |2009年第21期|214307.1-214307.9|共9页
作者
Konstantinos Termentzidis; Patrice Chantrenne; Pawel Keblinski;
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作者单位

Centre de Thermique de Lyon CETHIL UMR5008, Universite de Lyon, INSA de Lyon, CNRS, Universite Lyon 1, Lyon F-69621, France;

Centre de Thermique de Lyon CETHIL UMR5008, Universite de Lyon, INSA de Lyon, CNRS, Universite Lyon 1, Lyon F-69621, France;

Department of Materials Science and Engineering, Rensselaer Polytechnic Institute (RPI), Troy, New York 12180, USA;

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正文语种 eng
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transport properties (electric and thermal conductivity, thermoelectric effects, etc.); multilayers, superlattices, heterostructures;

机译：传输特性（电导率和热导率;热电效应等）;多层;超晶格;异质结构;

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专利

1. Cross-plane thermal conductivity of superlattices with rough interfaces using equilibrium and non-equilibrium molecular dynamics [J] . Konstantinos Termentzidis, Samy Merabia, Patrice Chantrenne, International Journal of Heat and Mass Transfer . 2011,第9a10期

机译：具有平衡和非平衡分子动力学的具有粗糙界面的超晶格的跨平面热导率
2. Lattice dynamics investigations of phonon thermal conductivity of Si/Ge superlattices with rough interfaces [J] . Shang-Fen Ren, Wei Cheng, Gang Chen Journal of Applied Physics . 2006,第10期

机译：粗糙界面Si / Ge超晶格声子导热系数的晶格动力学研究
3. Thermal Conductivity and Interfacial Thermal Resistance in Bilayered Nanofilms by Nonequilibrium Molecular Dynamics Simulations [J] . Shuaichuang Wang, Xingang Liang International Journal of Thermophysics . 2010,第10期

机译：非平衡分子动力学模拟双层纳米膜的导热系数和界面热阻
4. Thermal conductivity measurements of 2D complex liquids using nonequilibrium molecular dynamics simulations [C] . Shahzad A., Sultana M., Aslam A., Proceedings of 11th International Bhurban Conference on Applied Sciences amp; Technology . 2014

机译：使用非平衡分子动力学模拟测量2D复杂液体的热导率
5. Thermal conductivity of dense fluids and mixtures via nonequilibrium molecular dynamics. [D] . Ravi, Prasad. 1997

机译：通过非平衡分子动力学获得的稠密流体和混合物的热导率。
6. Thermal Conductivity of Polyisoprene and Polybutadiene from Molecular Dynamics Simulations and Transient Measurements [O] . Aleksandr Vasilev, Tommy Lorenz, Cornelia Breitkopf 2020

机译：聚异戊二烯和聚丁二烯的导热系数的分子动力学模拟和瞬态测量
7. Quantitatively analyzing phonon spectral contribution of thermal conductivity based on nonequilibrium molecular dynamics simulations. II. From time Fourier transform [O] . Zhou, Yanguang, Hu, Ming 2015

机译：基于非平衡分子动力学模拟，定量分析导热系数的声子谱。二。从时间傅立叶变换

Nonequilibrium molecular dynamics simulation of the in-plane thermal conductivity of superlattices with rough interfaces

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