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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| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2013
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| Online Access: | https://hdl.handle.net/10356/95477 http://hdl.handle.net/10220/9280 |
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| Institution: | Nanyang Technological University |
| Language: | English |