Melting of monatomic glass with free surfaces - Archive ouverte HAL
Article Dans Une Revue The Journal of Chemical Physics Année : 2012

Melting of monatomic glass with free surfaces

Résumé

Melting of monatomic glass with free surfaces has been studied by molecular dynamics simulations in models with Lennard-Jones-Gauss interatomic potential. Models have been heated up from a glassy state toward a normal liquid state. Atomic mechanism of melting has been analyzed via monitoring spatio-temporal arrangements of liquid-like atoms occurred during heating process. Liquid-like atoms are detected via the Lindemann criterion of melting. It is clear that the transition from glass into supercooled liquid of our "ordinary" glass with free surfaces exhibits a non-heterogeneous behavior, i.e., although liquid-like atoms initiate/grow mainly in the surface shell, significant amount of liquid-like atoms also initiates/grows simultaneously in the interior during heating process. We found three characteristic temperatures of melting of glass with a free surface. Temperature dependence of structure and various thermodynamic quantities of the system upon heating is also presented and discussed.
Fichier principal
Vignette du fichier
vanhoang2012.pdf (514.24 Ko) Télécharger le fichier
Origine Fichiers éditeurs autorisés sur une archive ouverte

Dates et versions

hal-00733136 , version 1 (01-11-2023)

Identifiants

Citer

Vo van Hoang, To Quy Dong. Melting of monatomic glass with free surfaces. The Journal of Chemical Physics, 2012, 136 (10), pp.104506. ⟨10.1063/1.3694532⟩. ⟨hal-00733136⟩
75 Consultations
40 Téléchargements

Altmetric

Partager

More