Adatom-Induced Local Melting
- Theory and Simulations of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) Ecole Polytechnique Federale de Lausanne, 1015 Lausanne, Switzerland
- Department of Physics, King’s College London, London, UK
DOI10.24435/materialscloud:2018.0002/v1 (version v1, submitted on 11 February 2018)
How to cite this entry
Ngoc Linh Nguyen, Francesca Baletto, Nicola Marzari, Adatom-Induced Local Melting, Materials Cloud Archive (2018), doi: 10.24435/materialscloud:2018.0002/v1.
We introduce and discuss the phenomenon of adatom-induced surface local melting, using extensive first-principles molecular dynamics simulations of Al(100) taken as a paradigmatic case of a non-premelting surface that nevertheless displays facile adatom diffusion with single and multiple exchange pathways. Here, a single adatom deposited on the surface is sufficient to nucleate a localized and diffusing liquid-like region that remains confined to the surface layer, but with an area that increases with temperature; in the absence of the adatom, the surface instead remains crystalline until reaching the bulk melting temperature.
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|157.6 MiB||The computed molecular dynamics trajectories of Al(100) surface at different temperatures|
|273.6 MiB||The molecular dynamics movies of the top and second layers of Al(100) surface at different temperatures|
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11 February 2018 [This version]