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Article: Molecular dynamics simulations of mechanical properties for Cu(0 0 1)/Ni(0 0 1) twist boundaries

TitleMolecular dynamics simulations of mechanical properties for Cu(0 0 1)/Ni(0 0 1) twist boundaries
Authors
KeywordsMisfit Dislocation
Molecular Dynamics
Twist Boundary
Yield Stress
Issue Date2012
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/commatsci
Citation
Computational Materials Science, 2012, v. 61, p. 239-242 How to Cite?
AbstractMolecular dynamics simulations were carried out to study the mechanical properties of Cu(0 0 1)/Ni(0 0 1) interface boundaries with different twist angles subjected to uniaxial loading. The results obtained revealed that square misfit dislocations networks can be observed when the twist angle was lower than 15.124°, and the density of misfit dislocations increased with increasing twist angle. Face defects were formed when the twist angle was higher than 15.124°. It has been found that the interface configuration had a significant effect on the interface strength of the Cu/Ni system. The yield stress was found to decrease first with increasing twist angle and it reached its lowest value at 5.906°twist angle. Subsequently, it increased with increasing twist angle till it reached its highest value at 15.124°of the latter; it then decreased again and finally became almost constant when the twist angle was larger than approximately 20°. © 2012 Elsevier B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/157196
ISSN
2015 Impact Factor: 2.086
2015 SCImago Journal Rankings: 1.037
ISI Accession Number ID
Funding AgencyGrant Number
Research Grants Council of the Hong Kong Special Administrative Region, ChinaCityU8/CRF/08
National Science Found of China10702058
Funding Information:

This work was financially supported by Research Grants Council of the Hong Kong Special Administrative Region, China (Project No. CityU8/CRF/08) and National Science Found of China (Grant No.10702058).

References
Grants

 

DC FieldValueLanguage
dc.contributor.authorChen, SDen_US
dc.contributor.authorZhou, YKen_US
dc.contributor.authorSoh, AKen_US
dc.date.accessioned2012-08-08T08:45:46Z-
dc.date.available2012-08-08T08:45:46Z-
dc.date.issued2012en_US
dc.identifier.citationComputational Materials Science, 2012, v. 61, p. 239-242en_US
dc.identifier.issn0927-0256en_US
dc.identifier.urihttp://hdl.handle.net/10722/157196-
dc.description.abstractMolecular dynamics simulations were carried out to study the mechanical properties of Cu(0 0 1)/Ni(0 0 1) interface boundaries with different twist angles subjected to uniaxial loading. The results obtained revealed that square misfit dislocations networks can be observed when the twist angle was lower than 15.124°, and the density of misfit dislocations increased with increasing twist angle. Face defects were formed when the twist angle was higher than 15.124°. It has been found that the interface configuration had a significant effect on the interface strength of the Cu/Ni system. The yield stress was found to decrease first with increasing twist angle and it reached its lowest value at 5.906°twist angle. Subsequently, it increased with increasing twist angle till it reached its highest value at 15.124°of the latter; it then decreased again and finally became almost constant when the twist angle was larger than approximately 20°. © 2012 Elsevier B.V. All rights reserved.en_US
dc.languageengen_US
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/commatscien_US
dc.relation.ispartofComputational Materials Scienceen_US
dc.subjectMisfit Dislocationen_US
dc.subjectMolecular Dynamicsen_US
dc.subjectTwist Boundaryen_US
dc.subjectYield Stressen_US
dc.titleMolecular dynamics simulations of mechanical properties for Cu(0 0 1)/Ni(0 0 1) twist boundariesen_US
dc.typeArticleen_US
dc.identifier.emailSoh, AK:aksoh@hkucc.hku.hken_US
dc.identifier.authoritySoh, AK=rp00170en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1016/j.commatsci.2012.04.035en_US
dc.identifier.scopuseid_2-s2.0-84860687150en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-84860687150&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume61en_US
dc.identifier.spage239en_US
dc.identifier.epage242en_US
dc.identifier.isiWOS:000304562000031-
dc.publisher.placeNetherlandsen_US
dc.relation.projectDesign and realization of structural materials with high strength and high ductility-
dc.identifier.scopusauthoridChen, SD=15077853600en_US
dc.identifier.scopusauthoridZhou, YK=55009132300en_US
dc.identifier.scopusauthoridSoh, AK=7006795203en_US
dc.identifier.citeulike10660692-

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