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Article: Atomistic simulations of Paidar-Pope-Vitek lock formation in Ni 3Al

TitleAtomistic simulations of Paidar-Pope-Vitek lock formation in Ni 3Al
Authors
KeywordsAtomistic Simulation
Dislocation Mobility
Intermetallics
Thermally Activated Processes
Issue Date2004
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/commatsci
Citation
Computational Materials Science, 2004, v. 29 n. 3, p. 259-269 How to Cite?
AbstractThe thermally activated process of Paidar-Pope-Vitek (PPV) lock formation in the L1 2 intermetallic Ni 3Al is simulated using the "nudged elastic band" method with an embedded atom potential. It is found that the one-step PPV lock is intrinsically unstable, but it can be stabilized by a large enough Escaig stress. The two-step PPV lock can be formed with a low activation energy when the one-step lock is involved as an intermediate step. In this case, the overall activation energy is about 1 eV, in reasonable agreement with the range of 0.5-0.9 eV expected from experimental observation of the flow stress anomaly in Ni 3Al. High Escaig stresses are required to stabilize the one-step lock, and the absence of such high stresses in the micro-strain regime is thought to be the underlying reason for the absence of the flow stress anomaly in micro-strain conditions. © 2003 Elsevier B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/156752
ISSN
2015 Impact Factor: 2.086
2015 SCImago Journal Rankings: 1.037
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorNgan, AHWen_US
dc.contributor.authorWen, Men_US
dc.contributor.authorWoo, CHen_US
dc.date.accessioned2012-08-08T08:43:49Z-
dc.date.available2012-08-08T08:43:49Z-
dc.date.issued2004en_US
dc.identifier.citationComputational Materials Science, 2004, v. 29 n. 3, p. 259-269en_US
dc.identifier.issn0927-0256en_US
dc.identifier.urihttp://hdl.handle.net/10722/156752-
dc.description.abstractThe thermally activated process of Paidar-Pope-Vitek (PPV) lock formation in the L1 2 intermetallic Ni 3Al is simulated using the "nudged elastic band" method with an embedded atom potential. It is found that the one-step PPV lock is intrinsically unstable, but it can be stabilized by a large enough Escaig stress. The two-step PPV lock can be formed with a low activation energy when the one-step lock is involved as an intermediate step. In this case, the overall activation energy is about 1 eV, in reasonable agreement with the range of 0.5-0.9 eV expected from experimental observation of the flow stress anomaly in Ni 3Al. High Escaig stresses are required to stabilize the one-step lock, and the absence of such high stresses in the micro-strain regime is thought to be the underlying reason for the absence of the flow stress anomaly in micro-strain conditions. © 2003 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.rightsComputational Materials Science. Copyright © Elsevier BV.-
dc.subjectAtomistic Simulationen_US
dc.subjectDislocation Mobilityen_US
dc.subjectIntermetallicsen_US
dc.subjectThermally Activated Processesen_US
dc.titleAtomistic simulations of Paidar-Pope-Vitek lock formation in Ni 3Alen_US
dc.typeArticleen_US
dc.identifier.emailNgan, AHW: hwngan@hkucc.hku.hken_US
dc.identifier.authorityNgan, AHW=rp00225en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1016/j.commatsci.2003.10.003en_US
dc.identifier.scopuseid_2-s2.0-1642436952en_US
dc.identifier.hkuros88664-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-1642436952&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume29en_US
dc.identifier.issue3en_US
dc.identifier.spage259en_US
dc.identifier.epage269en_US
dc.identifier.isiWOS:000188761800001-
dc.publisher.placeNetherlandsen_US
dc.identifier.scopusauthoridNgan, AHW=7006827202en_US
dc.identifier.scopusauthoridWen, M=7102904680en_US
dc.identifier.scopusauthoridWoo, CH=26423402100en_US
dc.identifier.citeulike572388-

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