Molecular dynamics study of binary alloys near the glass transition

Abstract The nature of the glass transition of simple binary fluids is argued with molecular dynamics simulations for a two-component soft-sphere model. We will focus our attention on the dynamical properties of supercooled fluids and the dynamics of the liquid-glass transition. For these purposes, we have carried out long-time molecular dynamics simulations for rapidly quenched samples by various different routes (cooling rates and initial conditions). Not only the dynamic properties associated to single atom motions, but also the behaviors of collective motions of atoms, longitudinal and transverse sound waves, and stress autocorrelations for the supercooled fluids of binary soft-sphere mixtures are examined in detail.