Criteria for glass-forming ability accessible by molecular dynamics simulations

Abstract

Criteria for estimating the glass-forming ability accessible by the molecular dynamics simulations are proposed. The enthalpy of the glassy phases and the density of the supercooled liquid phases can be the criteria, the former reflects the energetics and the latter reflects the dynamics. The relaxation behavior of the glassy phases suggests that the cooling rate dependence of the glass transition temperature also could be the criterion as to explore the 'energy landscape' and the phase stability for both supercooled liquid and glassy phases.