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Article: The crystal structures of sintered copper nanoparticles: A molecular dynamics study
Title | The crystal structures of sintered copper nanoparticles: A molecular dynamics study |
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Authors | |
Keywords | Deformation twinning Dislocation Molecular dynamics Nanoparticle Sintering |
Issue Date | 2013 |
Publisher | Pergamon. 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? |
Abstract | The 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 Identifier | http://hdl.handle.net/10722/184546 |
ISSN | 2023 Impact Factor: 9.4 2023 SCImago Journal Rankings: 2.894 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Cheng, BQ | en_US |
dc.contributor.author | Ngan, AHW | en_US |
dc.date.accessioned | 2013-07-15T09:54:42Z | - |
dc.date.available | 2013-07-15T09:54:42Z | - |
dc.date.issued | 2013 | en_US |
dc.identifier.citation | International Journal of Plasticity, 2013, v. 47, p. 65-79 | en_US |
dc.identifier.issn | 0749-6419 | - |
dc.identifier.uri | http://hdl.handle.net/10722/184546 | - |
dc.description.abstract | The 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.language | eng | en_US |
dc.publisher | Pergamon. The Journal's web site is located at http://www.elsevier.com/locate/ijplas | en_US |
dc.relation.ispartof | International Journal of Plasticity | en_US |
dc.rights | NOTICE: 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.rights | This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. | - |
dc.subject | Deformation twinning | - |
dc.subject | Dislocation | - |
dc.subject | Molecular dynamics | - |
dc.subject | Nanoparticle | - |
dc.subject | Sintering | - |
dc.title | The crystal structures of sintered copper nanoparticles: A molecular dynamics study | en_US |
dc.type | Article | en_US |
dc.identifier.email | Ngan, AHW: hwngan@hkucc.hku.hk | en_US |
dc.identifier.authority | Ngan, AHW=rp00225 | en_US |
dc.description.nature | postprint | - |
dc.identifier.doi | 10.1016/j.ijplas.2013.01.006 | - |
dc.identifier.scopus | eid_2-s2.0-84879081180 | - |
dc.identifier.hkuros | 215012 | en_US |
dc.identifier.volume | 47 | en_US |
dc.identifier.spage | 65 | en_US |
dc.identifier.epage | 79 | en_US |
dc.identifier.isi | WOS:000321410200005 | - |
dc.publisher.place | United Kingdom | - |
dc.identifier.issnl | 0749-6419 | - |