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

Xue Feng; Hanqing Jiang; Yonggang Huang; Bin Liu; Jiun Shyan Chen

doi:10.1007/s11837-008-0049-4

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

Xue Feng^*, Hanqing Jiang, Yonggang Huang, Bin Liu, Jiun Shyan Chen

^*Corresponding author for this work

Civil and Environmental Engineering

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

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.

Original language	English (US)
Pages (from-to)	50-55
Number of pages	6
Journal	JOM
Volume	60
Issue number	4
DOIs	https://doi.org/10.1007/s11837-008-0049-4
State	Published - Apr 1 2008

ASJC Scopus subject areas

Materials Science(all)
Engineering(all)

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AU - Feng, Xue

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AU - Huang, Yonggang

AU - Liu, Bin

AU - Chen, Jiun Shyan

PY - 2008/4/1

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N2 - 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.

AB - 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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