Stone-Wales transformation in boron nitride nanotubes

J. Song; Hanqing Jiang; J. Wu; Y. Huang; K. C. Hwang

doi:10.1016/j.scriptamat.2007.06.027

Stone-Wales transformation in boron nitride nanotubes

J. Song, Hanqing Jiang, J. Wu, Y. Huang, K. C. Hwang

Mechanical and Aerospace Engineering

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

26 Scopus citations

Abstract

A hybrid atomistic/continuum model is used to study the Stone-Wales transformation (90° rotation of an atomic bond) in boron nitride nanotubes (BNNTs) subjected to tension. The critical strain for Stone-Wales transformation is 11.47% for (5, 5) armchair and 14.23% for (10, 0) zigzag BNNTs, which agree well with the atomistic simulations. The critical strain depends on the BNNT chirality for small tube radius, but this dependence gradually disappears with the increasing tube radius.

Original language	English (US)
Pages (from-to)	571-574
Number of pages	4
Journal	Scripta Materialia
Volume	57
Issue number	7
DOIs	https://doi.org/10.1016/j.scriptamat.2007.06.027
State	Published - Oct 2007

Keywords

Boron nitride nanotube
Defects
Stone-Wales transformation

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys

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10.1016/j.scriptamat.2007.06.027

Cite this

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title = "Stone-Wales transformation in boron nitride nanotubes",

abstract = "A hybrid atomistic/continuum model is used to study the Stone-Wales transformation (90° rotation of an atomic bond) in boron nitride nanotubes (BNNTs) subjected to tension. The critical strain for Stone-Wales transformation is 11.47% for (5, 5) armchair and 14.23% for (10, 0) zigzag BNNTs, which agree well with the atomistic simulations. The critical strain depends on the BNNT chirality for small tube radius, but this dependence gradually disappears with the increasing tube radius.",

keywords = "Boron nitride nanotube, Defects, Stone-Wales transformation",

author = "J. Song and Hanqing Jiang and J. Wu and Y. Huang and Hwang, {K. C.}",

note = "Funding Information: Y.H. acknowledges the support from NSF (grants 00-99909, 01-03257, and 03-28162 via the Nano-CEMMS Center at UIUC), Office of Naval Research (grant N00014-01-1-0205, Program Manager Dr. Y.D.S. Rajapakse), and NSFC. K.C.H. acknowledges support from NSFC and the Ministry of Education, China.",

year = "2007",

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doi = "10.1016/j.scriptamat.2007.06.027",

language = "English (US)",

volume = "57",

pages = "571--574",

journal = "Scripta Materialia",

issn = "1359-6462",

publisher = "Elsevier Limited",

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T1 - Stone-Wales transformation in boron nitride nanotubes

AU - Song, J.

AU - Jiang, Hanqing

AU - Wu, J.

AU - Huang, Y.

AU - Hwang, K. C.

N1 - Funding Information: Y.H. acknowledges the support from NSF (grants 00-99909, 01-03257, and 03-28162 via the Nano-CEMMS Center at UIUC), Office of Naval Research (grant N00014-01-1-0205, Program Manager Dr. Y.D.S. Rajapakse), and NSFC. K.C.H. acknowledges support from NSFC and the Ministry of Education, China.

PY - 2007/10

Y1 - 2007/10

N2 - A hybrid atomistic/continuum model is used to study the Stone-Wales transformation (90° rotation of an atomic bond) in boron nitride nanotubes (BNNTs) subjected to tension. The critical strain for Stone-Wales transformation is 11.47% for (5, 5) armchair and 14.23% for (10, 0) zigzag BNNTs, which agree well with the atomistic simulations. The critical strain depends on the BNNT chirality for small tube radius, but this dependence gradually disappears with the increasing tube radius.

AB - A hybrid atomistic/continuum model is used to study the Stone-Wales transformation (90° rotation of an atomic bond) in boron nitride nanotubes (BNNTs) subjected to tension. The critical strain for Stone-Wales transformation is 11.47% for (5, 5) armchair and 14.23% for (10, 0) zigzag BNNTs, which agree well with the atomistic simulations. The critical strain depends on the BNNT chirality for small tube radius, but this dependence gradually disappears with the increasing tube radius.

KW - Boron nitride nanotube

KW - Defects

KW - Stone-Wales transformation

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EP - 574

JO - Scripta Materialia

JF - Scripta Materialia

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ER -

Stone-Wales transformation in boron nitride nanotubes

Abstract

Keywords

ASJC Scopus subject areas

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