Dynamical glass transition: critical temperature T_c and memory kernel in MD-simulated Ni_{0.8}Zr_{0.2}

Abstract

We use molecular dynamics computer simulations to investigate a critical temperature T_c for a dynamical glass transition as proposed by the mode-coupling theory (MCT) of dense liquids in a glass forming Ni_{0.8}Zr_{0.2}-system. The critical temperature T_c are analyzed from different quantities and checked the consistency of the estimated values, i.e. from (i) the non-vanishing nonergodicity parameters as asymptotic solutions of the MCT equations in the arrested state, (ii) the ${\bf{g}}_m$-parameters describing the approach of the melt towards the arrested state on the ergodic side, (iii) the diffusion coefficients in the melt. The resulting T_c values are found to agree within about 10%.