2024/07/25 by Fabio Leoni, Fausto Martelli, Leoni, Fabio +3
Computer Science · Materials Science · #Computer Graphics and Visualization Techniques #FOS: Physical sciences #Material Dynamics and Properties #Soft Condensed Matter (cond-mat.soft)
paper · pdf · doi:10.48550/arxiv.2407.18133
openalex publication_date 2024/07/25 · openalex created_date 2024/09/19 · openalex updated_date 2026/07/28
Several experiments on molecular and metallic glasses have shown that the ability of vapor deposition to produce ultrastable glasses is correlated with their structural and thermodynamic properties. Here we investigate the vapor deposition of a class of tetrahedral materials (including silicon and water) via molecular dynamics simulations of the generalized Stillinger-Weber potential. By changing a single parameter that controls the local tetrahedrality, we show that the emergence of ultrastable behavior is correlated with an increase in the fragility of the model. At the same time, while the mobility of the surface compared to the bulk shows only slight changes at low temperature, with increasing the tetrahedrality, it displays a significant enhancement towards the glass transition temperature. Our results point towards a strong connection between bulk dynamics, surface dynamics and glass-ultrastability ability in this class of materials.