Enhancement effect of asymmetry on the thermal conductivity of double-stranded chain systems

Using nonequilibrium molecular dynamics simulations, we study the thermal conductivity of asymmetric double chains. We couple two different single chains through interchain coupling to build three kinds of asymmetric double- stranded chain system： intrachain interaction, external potential, and mass...

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Bibliographic Details
Published in:Chinese physics B 2011-10, Vol.20 (10), p.171-176
Main Authors: Zhang, Mao-Ping (茂平 张), Zhong, Wei-Rong (伟荣 钟), Ai, Bao-Quan (保全 艾)
Format: Article
Language:English
Subjects:
Asymmetry
Chains
Construction
Coupling (molecular)
Dynamical systems
Dynamics
Heat transfer
Thermal conductivity
不对称性
不对称结构
分子动力学模拟
双链
增强效应
导热系数
链系统
链间耦合
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Summary:Using nonequilibrium molecular dynamics simulations, we study the thermal conductivity of asymmetric double chains. We couple two different single chains through interchain coupling to build three kinds of asymmetric double- stranded chain system： intrachain interaction, external potential, and mass asymmetric double chains. It is reported that asymmetry is helpful in improving the thermal conductivity of the system. We first propose double-heat flux channels to explain the influence of asymmetric structures on the thermal conductivity. The phonon spectral behaviour and finite size effect are also included.
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/20/10/100508