Publication date: Feb 11, 2018
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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