High Thermal Conductivity of Single Polyethylene Chains Using Molecular Dynamics Simulations
High Thermal Conductivity of Single Polyethylene Chains Using Molecular Dynamics Simulations
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DOI：
10.1103/physrevlett.101.235502
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发表时间：
2008-12-05
影响因子：
8.6
通讯作者：
Chen, Gang
中科院分区：
文献类型：
--
作者：
Henry, Asegun;Chen, Gang
我们使用分子动力学模拟计算单聚乙烯链采用绿色久保方法和模态分解方法的热导率。虽然本体聚乙烯是一种热绝缘体，但我们的研究结果表明，单个聚合物链的热导率可以非常高，在某些情况下甚至是发散的。我们的研究结果表明，聚合物可以被设计为具有高导热性，用于各种各样的应用。
We use molecular dynamics simulations to calculate the thermal conductivity of single polyethylene chains employing both the Green-Kubo approach and a modal decomposition method. Although bulk polyethylene is a thermal insulator, our results suggest that the thermal conductivity of an individual polymer chain can be very high, even divergent in some cases. Our results suggest that polymers can be engineered with high thermal conductivity for a wide variety of applications.