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Applied Mathematics and Mechanics (English Edition) ›› 2014, Vol. 35 ›› Issue (5): 535-540.doi: https://doi.org/10.1007/s10483-014-1810-x

• 论文 •    下一篇

Guided motion of short carbon nanotube driven by non-uniform electric field

徐震1,2,3 胡国辉1,2,3 王志亮1,2,3 周哲玮1,2,3   

  1. 1. Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 200072, P. R. China;
    2. Modern Mechanics Division, E-Institutes of Shanghai Universities, Shanghai 200072, P. R. China;
    3. Shanghai Key Laboratory of Mechanics in Energy and Environmental Engineering, Shanghai University, Shanghai 200072, P. R. China
  • 收稿日期:2013-06-26 修回日期:2013-07-13 出版日期:2014-05-01 发布日期:2014-05-01

Guided motion of short carbon nanotube driven by non-uniform electric field

XU Zhen1,2,3, HU Guo-Hui1,2,3, WANG Zhi-Liang1,2,3, ZHOU Zhe-Wei1,2,3   

  1. 1. Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 200072, P. R. China;
    2. Modern Mechanics Division, E-Institutes of Shanghai Universities, Shanghai 200072, P. R. China;
    3. Shanghai Key Laboratory of Mechanics in Energy and Environmental Engineering, Shanghai University, Shanghai 200072, P. R. China
  • Received:2013-06-26 Revised:2013-07-13 Online:2014-05-01 Published:2014-05-01

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摘要： The molecular dynamics simulations are performed to show that in aqueous environments, a short single-walled carbon nanotube (SWCNT) guided by a long SWCNT, either inside or outside the longer tube, is capable of moving along the nanotube axis unidirectionally in an electric field perpendicular to the carbon nanotube (CNT) axis with the linear gradient. The design suggests a new way of molecule transportation or mass delivery. To reveal the mechanism behind this phenomenon, the free energy profiles of the system are calculated by the method of the potential of mean force (PMF).

关键词: helical spring, buckling, equilibrium equation, guided motion, carbon nanotube (CNT), electric field with linear gradient, potential of mean force (PMF)

Abstract: The molecular dynamics simulations are performed to show that in aqueous environments, a short single-walled carbon nanotube (SWCNT) guided by a long SWCNT, either inside or outside the longer tube, is capable of moving along the nanotube axis unidirectionally in an electric field perpendicular to the carbon nanotube (CNT) axis with the linear gradient. The design suggests a new way of molecule transportation or mass delivery. To reveal the mechanism behind this phenomenon, the free energy profiles of the system are calculated by the method of the potential of mean force (PMF).

Key words: helical spring, buckling, equilibrium equation, guided motion, carbon nanotube (CNT), electric field with linear gradient, potential of mean force (PMF)

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