Superior thermal conductivity and extremely high mechanical strength in polyethylene chains from ab initio calculation

The upper limit of the thermal conductivity and the mechanical strength are predicted for the polyethylene chain, by performing the ab initio calculation and applying the quantum mechanical non-equilibrium Green’s function approach. Specially, there are two main findings from our calculation: (1) th...

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Bibliographic Details
Main Authors: Jiang, Jin-Wu, Zhao, Junhua, Zhou, Kun, Rabczuk, Timon
Other Authors: School of Mechanical and Aerospace Engineering
Format: Article
Language:English
Published: 2013
Online Access:https://hdl.handle.net/10356/95477
http://hdl.handle.net/10220/9280
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Institution: Nanyang Technological University
Language: English
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