Dynamical behavior of water confined inside a capped single-walled carbon nanotube (SWCNT) is investigated at different temperatures via the Molecular Dynamics (MD) Simulation method. Water in a SWCNT behaves in the fashion of random walk and increases amplitudes with temperature. Moreover, the SWCNT’s tip vibrates more significantly as temperature increases. The water molecules embedded nanotubes exhibit less thermal noise amplitude, indicating increases in effective stiffness in the water-nanotube composite. Further, the vibrational amplitude of a water-embedded SWCNT’s tip is more noticeable during the initial transient state at the beginning of our MD simulations, and gradually decays, and reaches a steady state, as MD simulation time increases. The variation of vibrating amplitude of the SWCNT’s tip increases linearly as temperature increases when no water is present inside. The tip vibration exhibits the largest amplitude when temperature is at the boiling point of water. Moreover, the tip vibration increases monotonically as temperature increases, providing information to estimate the effective Young’s modulus of the water-nanotube composite. The diffusion pathways of water inside a SWCNT are also studied in terms of temperature changes.
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ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer
June 6–9, 2008
Tainan, Taiwan
Conference Sponsors:
- Nanotechnology Institute
ISBN:
0-7918-4292-4
PROCEEDINGS PAPER
Dynamical Behavior of Water Inside a Capped Single-Walled Carbon Nanotube Available to Purchase
Jian-Ming Lu,
Jian-Ming Lu
National Applied Research Laboratories; National Cheng Kung University, Tainan, Taiwan
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Chun-Yi Wu,
Chun-Yi Wu
National Cheng Kung University, Tainan, Taiwan
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Cheng-Shiu Hung,
Cheng-Shiu Hung
National Pingtung University of Science and Technology, Pingtung, Taiwan
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Wen-Tung Chien,
Wen-Tung Chien
National Pingtung University of Science and Technology, Pingtung, Taiwan
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Wang-Long Li,
Wang-Long Li
National Cheng Kung University, Tainan, Taiwan
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Chi-Chuan Hwang,
Chi-Chuan Hwang
National Cheng Kung University, Tainan, Taiwan
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Yun-Che Wang
Yun-Che Wang
National Cheng Kung University, Tainan, Taiwan
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Jian-Ming Lu
National Applied Research Laboratories; National Cheng Kung University, Tainan, Taiwan
Chun-Yi Wu
National Cheng Kung University, Tainan, Taiwan
Cheng-Shiu Hung
National Pingtung University of Science and Technology, Pingtung, Taiwan
Wen-Tung Chien
National Pingtung University of Science and Technology, Pingtung, Taiwan
Wang-Long Li
National Cheng Kung University, Tainan, Taiwan
Chi-Chuan Hwang
National Cheng Kung University, Tainan, Taiwan
Yun-Che Wang
National Cheng Kung University, Tainan, Taiwan
Paper No:
MNHT2008-52227, pp. 1129-1133; 5 pages
Published Online:
June 22, 2009
Citation
Lu, J, Wu, C, Hung, C, Chien, W, Li, W, Hwang, C, & Wang, Y. "Dynamical Behavior of Water Inside a Capped Single-Walled Carbon Nanotube." Proceedings of the ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer. ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B. Tainan, Taiwan. June 6–9, 2008. pp. 1129-1133. ASME. https://doi.org/10.1115/MNHT2008-52227
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