Mode Coupling Theory and the Glass Transition in Molecular Dynamics Simulated NiZr

Molecular dynamics (MD) simulations for a NiZr model adapted to Hausleitner-Hafner interatomic potentials are analyzed within the mode coupling theory (MCT). Fitting numerical solutions of the (modified) schematic MCT equation with the self-intermediate scattering function of the MD system demonstrates unambiguously the transition scenario from liquidlike to nearly arrested behavior predicted by the MCT as precursor of the glass transition (around 1120 K for the present NiZr model).