<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"> <dc:creator>Nguyen, Ngoc Linh</dc:creator> <dc:creator>Baletto, Francesca</dc:creator> <dc:creator>Marzari, Nicola</dc:creator> <dc:date>2018-02-11</dc:date> <dc:description>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.</dc:description> <dc:identifier>https://archive.materialscloud.org/record/2018.0002/v1</dc:identifier> <dc:identifier>doi:10.24435/materialscloud:2018.0002/v1</dc:identifier> <dc:identifier>mcid:2018.0002/v1</dc:identifier> <dc:identifier>oai:materialscloud.org:25</dc:identifier> <dc:language>en</dc:language> <dc:publisher>Materials Cloud</dc:publisher> <dc:rights>info:eu-repo/semantics/openAccess</dc:rights> <dc:rights>Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights> <dc:subject>First-principles molecular dynamics</dc:subject> <dc:subject>Aluminum</dc:subject> <dc:subject>Surface melting</dc:subject> <dc:subject>Defects</dc:subject> <dc:subject>MARVEL</dc:subject> <dc:title>Adatom-Induced Local Melting</dc:title> <dc:type>Dataset</dc:type> </oai_dc:dc>