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http://bura.brunel.ac.uk/handle/2438/25276Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Fang, C | - |
| dc.contributor.author | Fan, Z | - |
| dc.date.accessioned | 2022-10-06T07:30:27Z | - |
| dc.date.available | 2022-10-06T07:30:27Z | - |
| dc.date.issued | 2022-09-20 | - |
| dc.identifier | 1550 | - |
| dc.identifier | ORCiD IDs: Changming Fang - https://orcid.org/0000-0003-0915-7453; Zhongyun Fan - https://orcid.org/0000-0003-4079-7336. | - |
| dc.identifier.citation | Fang, C. and Fan, Z. (2022) 'Effect of Segregation of Sc, Y and La Atoms on Prenucleation at the Liquid-Al/γ-Al2O3{1 1 1} Interfaces', Metals, 12, 1550, pp. 1 - 16. doi: 10.3390/met12101550. | en_US |
| dc.identifier.uri | https://bura.brunel.ac.uk/handle/2438/25276 | - |
| dc.description.abstract | Copyright: © 2022 by the authors. γ-Al2O3 particles form inevitably in liquid Al- alloys during liquid-handling and casting processes. Such oxide particles may act as potential nucleation sites during solidification. Recent research revealed that native γ-Al2O3 particles exhibit different potency for nucleating solid Al, which may reduce the number of potential nucleation sites in the liquid. Chemical segregation at the liquid/oxide interface may modify the substrates’ nucleation potency. In this paper, we investigated prenucleation at the Al(l)/γ-Al2O3 interface with segregation of Sc, Y and La (Group 3) atoms using an ab initio molecular dynamics simulation technique. Our results revealed that the segregation of Sc, Y and La results in a reconstruction of the Al atoms adjacent to the substrates and consequently a rough substrate surface. Present investigation opens a new path for manipulating solidification processes via chemical segregation at the liquid/substrate interface. | en_US |
| dc.description.sponsorship | EPSRC (UK) under grant number EP/N007638/1. | en_US |
| dc.format.extent | 1 - 16 | - |
| dc.format.medium | Electronic | - |
| dc.language.iso | en_US | en_US |
| dc.publisher | MDPI AG | en_US |
| dc.rights | Copyright: © 2022 by the authors. Licensee MDPI, Basel, Switzerland. This is an open access article distributed under the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. | - |
| dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | liquid-metal/oxide interfaces | en_US |
| dc.subject | chemical segregation | en_US |
| dc.subject | prenucleation | en_US |
| dc.subject | ab initio molecular dynamics modelling | en_US |
| dc.subject | heterogeneous nucleation | en_US |
| dc.subject | solidification | en_US |
| dc.title | Effect of Segregation of Sc, Y and La Atoms on Prenucleation at the Liquid-Al/γ-Al2O3{1 1 1} Interfaces | en_US |
| dc.type | Article | en_US |
| dc.identifier.doi | https://doi.org/10.3390/met12101550 | - |
| dc.relation.isPartOf | Metals | - |
| pubs.issue | 10 | - |
| pubs.publication-status | Published | - |
| pubs.volume | 12 | - |
| dc.identifier.eissn | 2075-4701 | - |
| dc.rights.holder | The authors | - |
| Appears in Collections: | Brunel Centre for Advanced Solidification Technology (BCAST) | |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| FullText.pdf | 4.74 MB | Adobe PDF | View/Open |
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