Fracture analysis of carbon nanotubes in the context of an atomic-based cellular automata algorithm

X. H. Huang; X. Q. He

doi:10.1016/j.commatsci.2012.07.009

Author(s)

X. H. Huang
X. Q. He

Detail(s)

Original language	English
Pages (from-to)	85-90
Journal / Publication	Computational Materials Science
Volume	65
Publication status	Published - Dec 2012

Link(s)

DOI	DOI https://doi.org/10.1016/j.commatsci.2012.07.009 Final Published version
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Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-84864506173&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(62397560-44fc-42bb-8b0e-97f2d3d709fe).html

Abstract

The cellular automata algorithm is introduced to study the tension characteristic of carbon nanotubes (CNTs). With the linkage between the atomistic potential and the classical cellular automata algorithm, the atomic-based cellular automata algorithm (ACAA) is presented for fracture analysis of CNTs. In ACAA simulation, a CNT is treated as a discrete hexagonal system in which the nodes represent the carbon atoms and Tersoff-Brenner's potential is adopted to describe the interaction between atoms. The stress-strain response from elastic to fracture is simulated to examine the effect of a vacancy on the tension characteristic of CNTs. Simulation results reveal that an initial vacancy lowers tension strength significantly. The study demonstrates that the ACAA model is an efficient method for fracture analysis of CNTs. © 2012 Elsevier B.V. All rights reserved.

Research Area(s)

Atomic-scale simulation, Carbon nanotubes, Cellular automata algorithm, Fracture analysis

Citation Format(s)

[ RIS ] [ BibTeX ]

Fracture analysis of carbon nanotubes in the context of an atomic-based cellular automata algorithm. / Huang, X. H.; He, X. Q.
In: Computational Materials Science, Vol. 65, 12.2012, p. 85-90.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Huang, XH & He, XQ 2012, 'Fracture analysis of carbon nanotubes in the context of an atomic-based cellular automata algorithm', Computational Materials Science, vol. 65, pp. 85-90. https://doi.org/10.1016/j.commatsci.2012.07.009

Huang, X. H., & He, X. Q. (2012). Fracture analysis of carbon nanotubes in the context of an atomic-based cellular automata algorithm. Computational Materials Science, 65, 85-90. https://doi.org/10.1016/j.commatsci.2012.07.009

Huang XH, He XQ. Fracture analysis of carbon nanotubes in the context of an atomic-based cellular automata algorithm. Computational Materials Science. 2012 Dec;65:85-90. doi: 10.1016/j.commatsci.2012.07.009

Huang, X. H. ; He, X. Q. / Fracture analysis of carbon nanotubes in the context of an atomic-based cellular automata algorithm. In: Computational Materials Science. 2012 ; Vol. 65. pp. 85-90.