2026-07-21T10:27:14Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:25 2018-02-11T00:00:00Z community-mcarchive openaire_data

Nguyen, Ngoc Linh Marzari, Nicola Nguyen, Ngoc Linh Baletto, Francesca Marzari, Nicola 2018-02-11 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. application/zip application/zip text/markdown https://doi.org/10.24435/materialscloud:2018.0002/v1 oai:materialscloud.org:25 mcid:2018.0002/v1 eng Materials Cloud https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:3t-va info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode First-principles molecular dynamics Aluminum Surface melting Defects MARVEL Adatom-Induced Local Melting info:eu-repo/semantics/other