Please use this identifier to cite or link to this item:
http://bura.brunel.ac.uk/handle/2438/16975
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Fang, C | - |
dc.contributor.author | Fan, Z | - |
dc.coverage.spatial | Miskolc-Lillafüred, Hungary | - |
dc.date.accessioned | 2018-10-15T09:44:16Z | - |
dc.date.available | 2018-10-15T09:44:16Z | - |
dc.date.issued | 2018-09-03 | - |
dc.identifier.citation | Fang, C. and Fan, Z. (2018) 'A first-principles study of the formation of atomically rough {111} MgO surface and its effect on prenucleation of Mg', The 7th International Conference on Solidification and Gravity (Solidification and Gravity VII), Miskolc-Lillafüred, Hungary, 3-6 September, pp. 107 - 111. | en_US |
dc.identifier.uri | https://bura.brunel.ac.uk/handle/2438/16975 | - |
dc.description.abstract | Based on the recent studies of the effects of lattice misfit and substrate chemistry on prenucleation, we investigate the interface between liquid Mg and MgO{111} using an ab initio molecular dynamics simulation (AIMD) technique. Our study reveals the formation of an atomically rough Mg layer on the {111}MgO surface when MgO is in contact with Mg melt. This atomically rough substrate surface deteriorates significantly the atomic ordering in the liquid adjacent to the liquid/substrate interface. Consequently, it reduces the potency of MgO as a substrate for heterogeneous nucleation. | en_US |
dc.format.extent | 107 - 111 | - |
dc.language.iso | en | en_US |
dc.source | Solidification and Gravity VII | - |
dc.source | The 7th International Conference on Solidification and Gravity | - |
dc.subject | prenucleation | en_US |
dc.subject | MgO{111} surface | en_US |
dc.subject | atomic roughness | en_US |
dc.subject | ab initio MD simulations | en_US |
dc.title | A first-principles study of the formation of atomically rough {111} MgO surface and its effect on prenucleation of Mg | en_US |
dc.type | Conference Paper | en_US |
pubs.finish-date | 2018-09-06 | - |
pubs.finish-date | 2018-09-06 | - |
pubs.publication-status | Published | - |
pubs.start-date | 2018-09-03 | - |
pubs.start-date | 2018-09-03 | - |
Appears in Collections: | Brunel Centre for Advanced Solidification Technology (BCAST) |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Fulltext.pdf | 813.71 kB | Adobe PDF | View/Open |
Items in BURA are protected by copyright, with all rights reserved, unless otherwise indicated.