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Modeling fracture in carbon nanotubes using a meshless atomic-scale finite-element method

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  • Multiscale Modeling of Composites
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Abstract

A meshless atomic-scale computational method was developed by taking account of structural dynamic evolution, such as atomic bond breakage and regeneration. This method, based on energy minimization, is an extension of B. Liu et al.’s atomic-scale finite element method (AFEM). The proposed method is faster than the standard conjugate gradient method and AFEM and can thus significantly save computational time especially in studying large-scale problems. The bond breakage of single-wall carbon nanotubes was studied.

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Authors and Affiliations

  1. Department of Engineering Mechanics, Tsinghua University, Beijing, 10084, P.R. China

    Xue Feng & Bin Liu

  2. Department of Mechanical and Aerospace Engineering, Arizona State University, Tempe, Arizona, USA

    Hanqing Jiang

  3. Department of Civil and Environmental Engineering and Department of Mechanical Engineering, Northwestern University, Evanston, Illinois, USA

    Yonggang Huang

  4. Department of Civil and Environmental Engineering, University of California, Los Angeles, California, USA

    Jiun-Shyan Chen

Authors
  1. Xue Feng
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  2. Hanqing Jiang
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  3. Yonggang Huang
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  4. Bin Liu
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  5. Jiun-Shyan Chen
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Correspondence to Xue Feng.

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Feng, X., Jiang, H., Huang, Y. et al. Modeling fracture in carbon nanotubes using a meshless atomic-scale finite-element method. JOM 60, 50–55 (2008). https://doi.org/10.1007/s11837-008-0049-4

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  • DOI: https://doi.org/10.1007/s11837-008-0049-4

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