| Autor: |
Mu-Li Chang, Jie-Ren Ku, Ming-Shan Jeng, Bin-Hao Chen, Chn-Ju Huang, Song-Yih Lin, Chao-Ho Lan, Fanghei Tsau |
| Rok vydání: |
2010 |
| Předmět: |
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| Zdroj: |
2010 International Symposium on Computer, Communication, Control and Automation (3CA). |
| DOI: |
10.1109/3ca.2010.5533490 |
| Popis: |
Non-equilibrium molecular dynamics simulations are performed to investigate the influences of chemisorption biphenyl rings under axial thermal loadings of 1.65 K/A. This investigation determines carbon nanotube thermal conductivity at biphenyl rings sorption density ranging from 0%~30%, using a non-equilibrium molecular dynamics simulation with true carbon potentials. The thermal impact causes system fluctuation in the initial 3 ps leading to a transport region temperature as high as 400K. The thermal relaxation process reduces impact energy influence after 30 ps and leads to Maxwell's distribution. Steady-state constant heat flux is observed after thermal equilibrium. Furthermore, the temperature curves show distinct high disturbance at initial time and linear distribution along the tube axial direction after steady-state. Simulations are performed on pristine CNTs and CNTs on which 0.25%, 1%, 5%, 10%, 15%, 20%, 25% and 30% of the carbon atoms have a bonded biphenyl group. The case where biphenyl groups are attached to 0.25% of the atoms on a nanotube is illustrated in the left panel of Figure 1. Results suggest that thermal conductivity value increases with increasing CNT subjected to thermal loading up to a temperature gradient of ~ 20 K/A representing rapidly thermal conductivity drop at sorption density of 10%. The functionalized CNTs all show significantly smaller thermal conductivities. Simulation results yield precise understanding of nano-scale transient heat transfer characteristics in a single-wall carbon nanotube. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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