Practical molecular dynamic simulation of monolayer graphene with consideration of structural defects

Ranjbartoreh, AR; Wang, G

Practical molecular dynamic simulation of monolayer graphene with consideration of structural defects

Ranjbartoreh, AR Wang, G

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Publication Type:: Journal Article
Citation:: Journal of Nanoscience and Nanotechnology, 2012, 12 (2), pp. 1398 - 1401
Issue Date:: 2012-06-05

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Field	Value	Language
dc.contributor.author	Ranjbartoreh, AR	en_US
dc.contributor.author	Wang, G https://orcid.org/0000-0003-4295-8578	en_US
dc.date.issued	2012-06-05	en_US
dc.identifier.citation	Journal of Nanoscience and Nanotechnology, 2012, 12 (2), pp. 1398 - 1401	en_US
dc.identifier.issn	1533-4880	en_US
dc.identifier.uri	http://hdl.handle.net/10453/22381
dc.description.abstract	Molecular dynamic simulation method has been employed to consider the mechanical properties of pristine and defected armchair and zigzag monolayer graphene sheets under tension and compression. Effects of Stone Wales (SW), Cell deformed (CD) and cell vacancy (CV) defects on ultimate stress and strain of graphene sheets have been considered. Obtained results indicate that zigzag graphene sheet has higher elastic modulus and stiffness than armchair type. Three SW defects have the highest destructive effect on ultimate stress and strain of zigzag graphene sheet while CV defect reveals the highest reducing effect on those of armchair type. Copyright © 2012 American Scientific Publishers.	en_US
dc.relation.ispartof	Journal of Nanoscience and Nanotechnology	en_US
dc.relation.isbasedon	10.1166/jnn.2012.4639	en_US
dc.subject.classification	Nanoscience & Nanotechnology	en_US
dc.title	Practical molecular dynamic simulation of monolayer graphene with consideration of structural defects	en_US
dc.type	Journal Article
utslib.citation.volume	2	en_US
utslib.citation.volume	12	en_US
utslib.for	0303 Macromolecular and Materials Chemistry	en_US
utslib.for	1007 Nanotechnology	en_US
utslib.for	0912 Materials Engineering	en_US
utslib.for	03 Chemical Sciences	en_US
utslib.for	09 Engineering	en_US
utslib.for	10 Technology	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
pubs.organisational-group	/University of Technology Sydney/Strength - CCET - Centre for Clean Energy Technology
utslib.copyright.status	closed_access
pubs.issue	2	en_US
pubs.publication-status	Published	en_US
pubs.volume	12	en_US

Abstract:

Molecular dynamic simulation method has been employed to consider the mechanical properties of pristine and defected armchair and zigzag monolayer graphene sheets under tension and compression. Effects of Stone Wales (SW), Cell deformed (CD) and cell vacancy (CV) defects on ultimate stress and strain of graphene sheets have been considered. Obtained results indicate that zigzag graphene sheet has higher elastic modulus and stiffness than armchair type. Three SW defects have the highest destructive effect on ultimate stress and strain of zigzag graphene sheet while CV defect reveals the highest reducing effect on those of armchair type. Copyright © 2012 American Scientific Publishers.

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http://hdl.handle.net/10453/22381