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Article: Full-scale atomistic simulations of dislocations in Ni crystal by embedded-atom method

TitleFull-scale atomistic simulations of dislocations in Ni crystal by embedded-atom method
Authors
Issue Date2005
PublisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/14786435.asp
Citation
Philosophical Magazine, 2005, v. 85 n. 17, p. 1917-1929 How to Cite?
AbstractFull-scale atomistic simulations by the nudged elastic band method are performed to determine the energetics and core structures of dislocations in a Ni lattice using an embedded-atom method potential. We find that for an edge dislocation, the potential yields very weak coupling between the partials which move almost individually. For a screw dislocation, the coupling between the partials is somewhat stronger and the partials move with some dependence. As expected, the results indicate that stacking fault energy has a controlling influence on the coupling behaviour of the partials. The effective Peierls energies and stresses are 1.30 × 10-6 eV/Å and 2.79 × 10-6 μ for the edge dislocation, and 1.62 × 10 -4 eV/Å and 2.02 × 10-4 μ for the screw dislocation. © 2005 Taylor & Francis Group Ltd.
Persistent Identifierhttp://hdl.handle.net/10722/75655
ISSN
2015 Impact Factor: 1.632
2015 SCImago Journal Rankings: 0.953
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorWen, Men_HK
dc.contributor.authorNgan, AHWen_HK
dc.contributor.authorFukuyama, Sen_HK
dc.contributor.authorYokogawa, Ken_HK
dc.date.accessioned2010-09-06T07:13:17Z-
dc.date.available2010-09-06T07:13:17Z-
dc.date.issued2005en_HK
dc.identifier.citationPhilosophical Magazine, 2005, v. 85 n. 17, p. 1917-1929en_HK
dc.identifier.issn1478-6435en_HK
dc.identifier.urihttp://hdl.handle.net/10722/75655-
dc.description.abstractFull-scale atomistic simulations by the nudged elastic band method are performed to determine the energetics and core structures of dislocations in a Ni lattice using an embedded-atom method potential. We find that for an edge dislocation, the potential yields very weak coupling between the partials which move almost individually. For a screw dislocation, the coupling between the partials is somewhat stronger and the partials move with some dependence. As expected, the results indicate that stacking fault energy has a controlling influence on the coupling behaviour of the partials. The effective Peierls energies and stresses are 1.30 × 10-6 eV/Å and 2.79 × 10-6 μ for the edge dislocation, and 1.62 × 10 -4 eV/Å and 2.02 × 10-4 μ for the screw dislocation. © 2005 Taylor & Francis Group Ltd.en_HK
dc.languageengen_HK
dc.publisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/14786435.aspen_HK
dc.relation.ispartofPhilosophical Magazineen_HK
dc.titleFull-scale atomistic simulations of dislocations in Ni crystal by embedded-atom methoden_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1478-6435&volume=85&issue=17&spage=1917&epage=1929&date=2005&atitle=Full-scale+atomistic+simulations+of+dislocations+in+Ni+crystal+by+embedded-atom+methoden_HK
dc.identifier.emailNgan, AHW:hwngan@hkucc.hku.hken_HK
dc.identifier.authorityNgan, AHW=rp00225en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1080/14786430500070966en_HK
dc.identifier.scopuseid_2-s2.0-27944494332en_HK
dc.identifier.hkuros98513en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-27944494332&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume85en_HK
dc.identifier.issue17en_HK
dc.identifier.spage1917en_HK
dc.identifier.epage1929en_HK
dc.identifier.isiWOS:000229761700007-
dc.publisher.placeUnited Kingdomen_HK
dc.identifier.scopusauthoridWen, M=7102904680en_HK
dc.identifier.scopusauthoridNgan, AHW=7006827202en_HK
dc.identifier.scopusauthoridFukuyama, S=7005814763en_HK
dc.identifier.scopusauthoridYokogawa, K=7004856036en_HK
dc.identifier.citeulike229671-

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