Rocket Dynamics of Capped Nanotubes: A Molecular Dynamics Study
Abstract
:1. Introduction
2. Methods
2.1. Nanorocket Concept
2.2. Simulation Details
3. Results and Discussions
3.1. Molecular Dynamics Simulation
3.2. Analytical Motion Formulation: Rocket Model
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Setup | D (nm) | Chirality | Box Size [nm × nm × nm] | T (K) | Water Molecules [-] |
---|---|---|---|---|---|
1 | 2.5 | 19 × 19 | 8 × 8 × 40 | 300 | 83,287 |
2 | 2.5 | 19 × 19 | 8 × 8 × 40 | 800 | 83,287 |
3 | 2.5 | 19 × 19 | 8 × 8 × 40 | 1300 | 83,287 |
4 | 2.5 | 19 × 19 | 8 × 8 × 40 | 1800 | 83,287 |
5 | 3.5 | 27 × 27 | 12 × 12 × 60 | 1800 | 285,769 |
6 | 2.5 | 19 × 19 | 9 × 9 × 45 | 1800 | 119,414 |
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Hamad, M.S.; Morciano, M.; Fasano, M. Rocket Dynamics of Capped Nanotubes: A Molecular Dynamics Study. Nanomaterials 2024, 14, 1134. https://doi.org/10.3390/nano14131134
Hamad MS, Morciano M, Fasano M. Rocket Dynamics of Capped Nanotubes: A Molecular Dynamics Study. Nanomaterials. 2024; 14(13):1134. https://doi.org/10.3390/nano14131134
Chicago/Turabian StyleHamad, Mustafa S., Matteo Morciano, and Matteo Fasano. 2024. "Rocket Dynamics of Capped Nanotubes: A Molecular Dynamics Study" Nanomaterials 14, no. 13: 1134. https://doi.org/10.3390/nano14131134