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Conference Paper: Atomistic simulation of energetics of motion of screw dislocations in bcc Fe at finite temperatures

TitleAtomistic simulation of energetics of motion of screw dislocations in bcc Fe at finite temperatures
Authors
KeywordsAtomistic simulation
bcc crystals
Dislocation mobility
Thermally activated processes
Issue Date2002
PublisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/commatsci
Citation
Meeting of the International Union of Matierals Research Societies (IUMRS), Hong Kong, People's Republic of China, 24-26 July 2000. In Computational Materials Science, 2002, v. 23 n. 1-4, p. 139-145 How to Cite?
AbstractThe nudged elastic band method is used to calculate the energetics of the kink-pair mechanism for the motion of 1/2〈1 1 1〉 screw dislocation cores in body-centred-cubic (bcc) iron. At low applied stresses, the critical event is found to be the expansion of the kink-pair while at high applied stresses, it is the nucleation of the kink-pair that is rate-controlling. The activation energy of the motion is found to decrease with increasing stress, but the predicted flow stress is about three times of the experimental value at all temperatures. The origin of this factor of 3 is discussed. © 2002 Elsevier Science B.V. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/75652
ISSN
2015 Impact Factor: 2.086
2015 SCImago Journal Rankings: 1.037
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorNgan, AHWen_HK
dc.contributor.authorWen, Men_HK
dc.date.accessioned2010-09-06T07:13:15Z-
dc.date.available2010-09-06T07:13:15Z-
dc.date.issued2002en_HK
dc.identifier.citationMeeting of the International Union of Matierals Research Societies (IUMRS), Hong Kong, People's Republic of China, 24-26 July 2000. In Computational Materials Science, 2002, v. 23 n. 1-4, p. 139-145en_HK
dc.identifier.issn0927-0256en_HK
dc.identifier.urihttp://hdl.handle.net/10722/75652-
dc.description.abstractThe nudged elastic band method is used to calculate the energetics of the kink-pair mechanism for the motion of 1/2〈1 1 1〉 screw dislocation cores in body-centred-cubic (bcc) iron. At low applied stresses, the critical event is found to be the expansion of the kink-pair while at high applied stresses, it is the nucleation of the kink-pair that is rate-controlling. The activation energy of the motion is found to decrease with increasing stress, but the predicted flow stress is about three times of the experimental value at all temperatures. The origin of this factor of 3 is discussed. © 2002 Elsevier Science B.V. All rights reserved.en_HK
dc.languageengen_HK
dc.publisherElsevier BV. The Journal's web site is located at http://www.elsevier.com/locate/commatscien_HK
dc.relation.ispartofComputational Materials Scienceen_HK
dc.rightsComputational Materials Science. Copyright © Elsevier BV.en_HK
dc.subjectAtomistic simulationen_HK
dc.subjectbcc crystalsen_HK
dc.subjectDislocation mobilityen_HK
dc.subjectThermally activated processesen_HK
dc.titleAtomistic simulation of energetics of motion of screw dislocations in bcc Fe at finite temperaturesen_HK
dc.typeConference_Paperen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0927-0256&volume=23&spage=139&epage=145&date=2002&atitle=Atomistic+simulation+of+energetics+of+motion+of+screw+dislocations+in+BCC+Fe+at+finite+temperaturesen_HK
dc.identifier.emailNgan, AHW:hwngan@hkucc.hku.hken_HK
dc.identifier.authorityNgan, AHW=rp00225en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S0927-0256(01)00224-5en_HK
dc.identifier.scopuseid_2-s2.0-0036531051en_HK
dc.identifier.hkuros67027en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0036531051&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume23en_HK
dc.identifier.issue1-4en_HK
dc.identifier.spage139en_HK
dc.identifier.epage145en_HK
dc.identifier.isiWOS:000175870500019-
dc.publisher.placeNetherlandsen_HK
dc.description.otherMeeting of the International Union of Matierals Research Societies (IUMRS), Hong Kong, People's Republic of China, 24-26 July 2000. In Computational Materials Science, 2002, v. 23 n. 1-4, p. 139-145-
dc.identifier.scopusauthoridNgan, AHW=7006827202en_HK
dc.identifier.scopusauthoridWen, M=7102904680en_HK

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