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...
| मुख्य लेखकों: | , , , |
|---|---|
| अन्य लेखक: | |
| स्वरूप: | Journal Article |
| भाषा: | English |
| प्रकाशित: |
2013
|
| ऑनलाइन पहुंच: | https://hdl.handle.net/10356/95477 http://hdl.handle.net/10220/9280 |