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A modal analysis of carbon nanotube using elastic network model

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Abstract

Although it is widely known that both size and chirality play significant roles in vibration behaviors of single-walled carbon nanotubes (SWCNTs), there haven’t been yet enough studies specifying the relationship between structure and vibration mode shape of SWCNTs. We have analyzed the chirality and length dependence of SWCNT by using normal mode analysis based elastic network model in which all interatomic interactions of the given SWCNTs structure are represented by a network of linear spring connections. As this method requires relatively short computation time compared to molecular dynamics simulation, we can efficiently analyze vibration behavior of SWCNTs. To ensure the relationship between SWCNT structure and its vibration mode shapes, we simulated more than one hundred SWCNTs having different types of chirality and length. Results indicated that the first two major mode shapes are bending and breathing. The minimum length of nanotube for maintaining the bending mode does not depend on chirality but on its diameter. Our simulations pointed out that there is a critical aspect ratio between diameter and length to determine vibration mode shapes, and it can be empirically formulated as a function of nanotube length and diameter. Therefore, uniformity control is the most important premise in order to utilize vibration features of SWCNTs. It is also expected that the obtained vibration aspect will play an important role in designing nanotube based devices such as resonators and sensors more accurately.

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Authors and Affiliations

  1. SKKU Advanced Institute of Nanotechnology (SAINT), Sungkyunkwan University, Suwon, 440-746, Korea

    Min Hyeok Kim, Sangjae Seo, Jae Boong Choi & Moon Ki Kim

  2. Department of Mechanical Engineering, Northwestern University, Evanston, IL, 60201, USA

    Wing Kam Liu

  3. School of Mechanical Engineering, Sungkyunkwan University, Suwon, 440-746, Korea

    Byeong Soo Lim, Jae Boong Choi & Moon Ki Kim

Authors
  1. Min Hyeok Kim
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  2. Sangjae Seo
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  3. Wing Kam Liu
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  4. Byeong Soo Lim
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  5. Jae Boong Choi
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  6. Moon Ki Kim
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Correspondence to Moon Ki Kim.

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Recommended by Associate Editor Ohseop Song

Min Hyeok Kim received his B.S. in Mechanical Engineering from Sungkyunkwan University in 2011. He is currently pursuing the M.S. and Ph.D combined degree in SKKU Advanced Institute of Nanotechnology (SAINT) at Sungkyunkwan University. His researches focus on computational structural biology based on elastic network model.

Moon Ki Kim received his B.S. and M.S. in Mechanical Engineering from Seoul National University in 1997 and 1999, respectively, and his M.S.E. and Ph.D from the Johns Hopkins University in 2002 and 2004, respectively. He was an Assistant Professor in the department of Mechanical and Industrial Engineering at University of Massachusetts, Amherst from 2004 to 2008. He has worked for the school of Mechanical Engineering at Sungkyungkwan University as an associate professor since 2009. His research interests are focused on computational structural biology based on robot kinematics, bioinstrumentations, and multiscale modeling and simulation.

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Kim, M.H., Seo, S., Liu, W.K. et al. A modal analysis of carbon nanotube using elastic network model. J Mech Sci Technol 26, 3433–3438 (2012). https://doi.org/10.1007/s12206-012-0862-0

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  • DOI: https://doi.org/10.1007/s12206-012-0862-0

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