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
(version: v1, submitted on: 11 February 2018)
How to cite this entry
Ngoc Linh Nguyen, Nicola Marzari, Francesca Baletto, 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.
Materials Cloud sections using this data
No Explore or Discover sections associated with this archive entry.
|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|
No external references available for this Materials Cloud Archive entry.
11 February 2018 [This version]