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Article: The crystal structures of sintered copper nanoparticles: A molecular dynamics study

TitleThe crystal structures of sintered copper nanoparticles: A molecular dynamics study
Authors
Issue Date2013
PublisherPergamon. The Journal's web site is located at http://www.elsevier.com/locate/ijplas
Citation
International Journal of Plasticity, 2013, v. 47, p. 65-79 How to Cite?
AbstractThe coalescence of nano-crystals during sintering is often found to result in interesting crystalline structures such as multi-fold twins, and yet the plasticity mechanism accompanying their formation is unclear. In this work, the sintering behavior of two unsupported copper nanoparticles initially at room temperature is investigated by molecular dynamics simulations under the constant-energy ensemble. The results reveal that once the two nanoparticles are brought into contact, they often go through drastic structural changes with the inter-particle grain boundary quickly eliminated, and single- and multi-fold twinning occurs frequently in the coalesced product. Whereas the formation of single twins is found to be via the more usual mechanism of emission of Shockley partials on {1 1 1} planes, the formation of fivefold twins, however, takes place via a novel dislocation-free mechanism involving a series of shear and rigid-body rotation processes caused by elastic waves with amplitudes not corresponding to any allowable Burgers vector in the fcc lattice. Such a lattice-wave, dislocation-free twinning mechanism has never been reported before.
Persistent Identifierhttp://hdl.handle.net/10722/184546
ISSN
2015 Impact Factor: 5.623
2015 SCImago Journal Rankings: 4.694
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorCheng, BQen_US
dc.contributor.authorNgan, AHWen_US
dc.date.accessioned2013-07-15T09:54:42Z-
dc.date.available2013-07-15T09:54:42Z-
dc.date.issued2013en_US
dc.identifier.citationInternational Journal of Plasticity, 2013, v. 47, p. 65-79en_US
dc.identifier.issn0749-6419-
dc.identifier.urihttp://hdl.handle.net/10722/184546-
dc.description.abstractThe coalescence of nano-crystals during sintering is often found to result in interesting crystalline structures such as multi-fold twins, and yet the plasticity mechanism accompanying their formation is unclear. In this work, the sintering behavior of two unsupported copper nanoparticles initially at room temperature is investigated by molecular dynamics simulations under the constant-energy ensemble. The results reveal that once the two nanoparticles are brought into contact, they often go through drastic structural changes with the inter-particle grain boundary quickly eliminated, and single- and multi-fold twinning occurs frequently in the coalesced product. Whereas the formation of single twins is found to be via the more usual mechanism of emission of Shockley partials on {1 1 1} planes, the formation of fivefold twins, however, takes place via a novel dislocation-free mechanism involving a series of shear and rigid-body rotation processes caused by elastic waves with amplitudes not corresponding to any allowable Burgers vector in the fcc lattice. Such a lattice-wave, dislocation-free twinning mechanism has never been reported before.-
dc.languageengen_US
dc.publisherPergamon. The Journal's web site is located at http://www.elsevier.com/locate/ijplasen_US
dc.relation.ispartofInternational Journal of Plasticityen_US
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in International Journal of Plasticity. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in International Journal of Plasticity, 2013, v. 47, p. 65-79. DOI: 10.1016/j.ijplas.2013.01.006-
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License-
dc.titleThe crystal structures of sintered copper nanoparticles: A molecular dynamics studyen_US
dc.typeArticleen_US
dc.identifier.emailNgan, AHW: hwngan@hkucc.hku.hken_US
dc.identifier.authorityNgan, AHW=rp00225en_US
dc.description.naturepostprint-
dc.identifier.doi10.1016/j.ijplas.2013.01.006-
dc.identifier.scopuseid_2-s2.0-84879081180-
dc.identifier.hkuros215012en_US
dc.identifier.volume47en_US
dc.identifier.spage65en_US
dc.identifier.epage79en_US
dc.identifier.isiWOS:000321410200005-
dc.publisher.placeUnited Kingdom-

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