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- Publisher Website: 10.1063/1.4802025
- Scopus: eid_2-s2.0-84877296121
- PMID: 23635145
- WOS: WOS:000318550800045
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Article: Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion
Title | Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion |
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Authors | |
Issue Date | 2013 |
Publisher | AIP Publishing LLC. The Journal's web site is located at https://aip.scitation.org/journal/jcp |
Citation | Journal of Chemical Physics, 2013, v. 138 n. 16, article no. 164314 How to Cite? |
Abstract | Molecular dynamics simulations of small Cu nanoparticles using three different interatomic potentials at rising temperature indicate that small nanoparticles can undergo solid-solid structural transitions through a direct geometrical conversion route. The direct geometrical conversion can happen for cuboctahedral nanoparticles, which turn into an icosahedra shape: one diagonal of the square faces contracts, and the faces are folded along the diagonal to give rise to two equilateral triangles. The transition is a kinetic process that cannot be fully explained through an energetic point of view. It has low activation energy and fast reaction time in the simulations. The transition mechanism is via the transmission of shear waves initiated from the particle surface and does not involve dislocation activity. |
Persistent Identifier | http://hdl.handle.net/10722/183118 |
ISSN | 2023 Impact Factor: 3.1 2023 SCImago Journal Rankings: 1.101 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Cheng, BQ | - |
dc.contributor.author | Ngan, AHW | - |
dc.date.accessioned | 2013-05-15T01:43:47Z | - |
dc.date.available | 2013-05-15T01:43:47Z | - |
dc.date.issued | 2013 | - |
dc.identifier.citation | Journal of Chemical Physics, 2013, v. 138 n. 16, article no. 164314 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.uri | http://hdl.handle.net/10722/183118 | - |
dc.description.abstract | Molecular dynamics simulations of small Cu nanoparticles using three different interatomic potentials at rising temperature indicate that small nanoparticles can undergo solid-solid structural transitions through a direct geometrical conversion route. The direct geometrical conversion can happen for cuboctahedral nanoparticles, which turn into an icosahedra shape: one diagonal of the square faces contracts, and the faces are folded along the diagonal to give rise to two equilateral triangles. The transition is a kinetic process that cannot be fully explained through an energetic point of view. It has low activation energy and fast reaction time in the simulations. The transition mechanism is via the transmission of shear waves initiated from the particle surface and does not involve dislocation activity. | - |
dc.language | eng | - |
dc.publisher | AIP Publishing LLC. The Journal's web site is located at https://aip.scitation.org/journal/jcp | - |
dc.relation.ispartof | Journal of Chemical Physics | - |
dc.rights | Copyright 2013 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of Chemical Physics, 2013, v. 138 n. 16, article no. 164314 and may be found at https://doi.org/10.1063/1.4802025 | - |
dc.title | Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion | - |
dc.type | Article | - |
dc.identifier.email | Ngan, AHW: hwngan@hkucc.hku.hk | - |
dc.identifier.authority | Ngan, AHW=rp00225 | - |
dc.description.nature | published_or_final_version | - |
dc.identifier.doi | 10.1063/1.4802025 | - |
dc.identifier.pmid | 23635145 | - |
dc.identifier.scopus | eid_2-s2.0-84877296121 | - |
dc.identifier.hkuros | 214269 | - |
dc.identifier.volume | 138 | - |
dc.identifier.issue | 16 | - |
dc.identifier.spage | article no. 164314 | - |
dc.identifier.epage | article no. 164314 | - |
dc.identifier.isi | WOS:000318550800045 | - |
dc.publisher.place | United States | - |
dc.identifier.issnl | 0021-9606 | - |