Heat Transfer at the Interface of Graphene Nanoribbons with Different Relative Orientations and Gaps
Abstract
:1. Introduction
2. Methods
3. Results
4. Discussion
5. Conclusions
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
Abbreviations
GNRs | Graphene Nanoribbons |
PNCs | Polymer Nanocomposites |
MD | Molecular Dynamics |
AIREBO | Adaptive Intermolecular Reactive Empirical Bond Order |
LAMMPS | Large-scale Atomic/Molecular Massively Parallel Simulator |
Appendix A
N. | a (Å) | b (Å) | h (Å) | , MD (×10−9 m2K/W) | , MD | , Fitting | |||||
---|---|---|---|---|---|---|---|---|---|---|---|
1 | 20 | 0 | 4 | 0 | 0 | 0 | 3.19 | 0.10000 | 1.17647 | 15.32 | 21.23 |
2 | 40 | 0 | 4 | 0 | 0 | 0 | 1.55 | 0.20000 | 1.17647 | 7.44 | 7.55 |
3 | 60 | 0 | 4 | 0 | 0 | 0 | 1.08 | 0.30000 | 1.17647 | 5.16 | 4.13 |
4 | 80 | 0 | 4 | 0 | 0 | 0 | 0.97 | 0.40000 | 1.17647 | 4.63 | 2.69 |
5 | 40 | 6 | 4 | 0 | 0 | 0 | 2.12 | 0.15000 | 1.17647 | 10.18 | 11.60 |
6 | 40 | 12 | 4 | 0 | 0 | 0 | 4.10 | 0.10000 | 1.17647 | 19.67 | 21.23 |
7 | 40 | 18 | 4 | 0 | 0 | 0 | 13.90 | 0.05000 | 1.17647 | 66.72 | 59.68 |
8 | 40 | 0 | 2.5 | 0 | 0 | 0 | 0.90 | 0.20000 | 0.73529 | 4.32 | 2.18 |
9 | 40 | 0 | 5 | 0 | 0 | 0 | 1.97 | 0.20000 | 1.47058 | 9.46 | 13.63 |
10 | 40 | 0 | 6 | 0 | 0 | 0 | 3.84 | 0.20000 | 1.76470 | 18.44 | 22.08 |
11 | 40 | 0 | 4 | 3 | 0 | 0 | 1.50 | 0.19972 | 1.17647 | 7.21 | 7.57 |
12 | 40 | 0 | 4 | 5 | 0 | 0 | 1.58 | 0.19923 | 1.17647 | 7.57 | 7.60 |
13 | 40 | 0 | 4 | 7 | 0 | 0 | 1.56 | 0.19850 | 1.17647 | 7.50 | 7.64 |
14 | 40 | 0 | 4 | 0 | 0.5 | 0 | 3.23 | 0.19998 | 1.38180 | 15.50 | 11.56 |
15 | 40 | 0 | 4 | 0 | 1 | 0 | 4.01 | 0.19992 | 1.58714 | 19.26 | 16.69 |
16 | 40 | 0 | 4 | 0 | 1.5 | 0 | 5.89 | 0.19982 | 1.79248 | 28.27 | 23.04 |
17 | 40 | 0 | 4 | 0 | 2 | 0 | 6.10 | 0.19969 | 1.99782 | 29.28 | 30.73 |
18 | 40 | 0 | 4 | 0 | 0 | 5 | 2.63 | 0.14206 | 1.17647 | 12.61 | 12.58 |
19 | 40 | 0 | 4 | 0 | 0 | 10 | 5.09 | 0.08399 | 1.17647 | 24.45 | 27.54 |
20 | 40 | 0 | 4 | 0 | 0 | 15 | 30.61 | 0.02708 | 1.17647 | 146.94 | 148.90 |
21 | 40 | 0 | 4 | 0 | 0 | 30 | 112.00 | 0.00000 | 1.17647 | 537.60 | - |
22 | 40 | 0 | 4 | 0 | 0 | 45 | 119.99 | 0.00000 | 1.17647 | 575.96 | - |
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Mohammad Nejad, S.; Bozorg Bigdeli, M.; Srivastava, R.; Fasano, M. Heat Transfer at the Interface of Graphene Nanoribbons with Different Relative Orientations and Gaps. Energies 2019, 12, 796. https://doi.org/10.3390/en12050796
Mohammad Nejad S, Bozorg Bigdeli M, Srivastava R, Fasano M. Heat Transfer at the Interface of Graphene Nanoribbons with Different Relative Orientations and Gaps. Energies. 2019; 12(5):796. https://doi.org/10.3390/en12050796
Chicago/Turabian StyleMohammad Nejad, Shahin, Masoud Bozorg Bigdeli, Rajat Srivastava, and Matteo Fasano. 2019. "Heat Transfer at the Interface of Graphene Nanoribbons with Different Relative Orientations and Gaps" Energies 12, no. 5: 796. https://doi.org/10.3390/en12050796