Vitrification process of monatomic Lennard-Jones system with free surfaces

Tóm tắt

Glass formation in simple monatomic LJ system with free surfaces has been studied by molecular dynamics (MD) simulations. Atomic mechanism of glass formation is monitored via spatiotemporal arrangement of solid-like atoms occurred in the system upon cooling from the melt. Free surfaces significantly enhance atomic mobility in the system compared to that of the bulk and induce the formation of so-called layer structure of the interior of glassy state.