Dynamical behavior of water inside a capped single-walled carbon nanotube

Jian Ming Lu, Chun Yi Wu, Cheng Shiu Hung, Wen Tung Chien, Wang Long Li, Chi Chuan Hwang, Yun Che Wang

研究成果: Conference contribution

摘要

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.

原文English
主出版物標題2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008
頁面1129-1133
頁數5
DOIs
出版狀態Published - 2008
事件1st ASME Micro/Nanoscale Heat Transfer International Conference, MNHT08 - Tainan, Taiwan
持續時間: 2008 1月 62008 1月 9

出版系列

名字2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008
PART B

Other

Other1st ASME Micro/Nanoscale Heat Transfer International Conference, MNHT08
國家/地區Taiwan
城市Tainan
期間08-01-0608-01-09

All Science Journal Classification (ASJC) codes

  • 材料力學
  • 一般材料科學
  • 凝聚態物理學
  • 原子與分子物理與光學

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