Modeling of fracture of carbon nanotubes with vacancy defect

Q. Wang; W. H. Duan; N. L. Richards; K. M. Liew

doi:10.1103/PhysRevB.75.201405

Modeling of fracture of carbon nanotubes with vacancy defect

Q. Wang, W. H. Duan, N. L. Richards, K. M. Liew

Research output: Journal Publications and Reviews › RGC 22 - Publication in policy or professional journal

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Abstract

The fracture of achiral carbon nanotubes (CNTs) with one atomic vacancy is studied. Nonuniform variation of the fracture strain is observed from molecular mechanics simulations, and an elastic shell model is developed to describe the research findings. Hardening and softening domains near the edges of the tubes are specifically positioned. The effectiveness of the continuum mechanics model is further verified by molecular mechanics simulations via the MATERIALS STUDIO software package. In addition, the dependence of hardening or softening domains on the length and diameter of the CNTs is investigated. The rupture progress of defected carbon nanotubes with the vacancy at different locations is observed from molecular mechanics simulations, and adequate physical interpretations of the block-tearing fracture mode are provided. © 2007 The American Physical Society.

Original language	English
Article number	201405
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	75
Issue number	20
DOIs	https://doi.org/10.1103/PhysRevB.75.201405
Publication status	Published - 6 Jun 2007

Publisher's Copyright Statement

COPYRIGHT TERMS OF DEPOSITED FINAL PUBLISHED VERSION FILE: Wang, Q., Duan, W. H., Richards, N. L., & Liew, K. M. (2007). Modeling of fracture of carbon nanotubes with vacancy defect. Physical Review B - Condensed Matter and Materials Physics, 75(20), [201405]. https://doi.org/10.1103/PhysRevB.75.201405. The copyright of this article is owned by American Physical Society.

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abstract = "The fracture of achiral carbon nanotubes (CNTs) with one atomic vacancy is studied. Nonuniform variation of the fracture strain is observed from molecular mechanics simulations, and an elastic shell model is developed to describe the research findings. Hardening and softening domains near the edges of the tubes are specifically positioned. The effectiveness of the continuum mechanics model is further verified by molecular mechanics simulations via the MATERIALS STUDIO software package. In addition, the dependence of hardening or softening domains on the length and diameter of the CNTs is investigated. The rupture progress of defected carbon nanotubes with the vacancy at different locations is observed from molecular mechanics simulations, and adequate physical interpretations of the block-tearing fracture mode are provided. {\textcopyright} 2007 The American Physical Society.",

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AB - The fracture of achiral carbon nanotubes (CNTs) with one atomic vacancy is studied. Nonuniform variation of the fracture strain is observed from molecular mechanics simulations, and an elastic shell model is developed to describe the research findings. Hardening and softening domains near the edges of the tubes are specifically positioned. The effectiveness of the continuum mechanics model is further verified by molecular mechanics simulations via the MATERIALS STUDIO software package. In addition, the dependence of hardening or softening domains on the length and diameter of the CNTs is investigated. The rupture progress of defected carbon nanotubes with the vacancy at different locations is observed from molecular mechanics simulations, and adequate physical interpretations of the block-tearing fracture mode are provided. © 2007 The American Physical Society.

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Modeling of fracture of carbon nanotubes with vacancy defect

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Publisher’s Note: Modeling of fracture of carbon nanotubes with vacancy defect [Phys. Rev. B 75, 201405 (2007)]

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