Ultrastable Metallic Glasses In Silico

We develop a generic strategy and simple numerical models for multicomponent metallic glasses for which the swap Monte Carlo algorithm can produce highly stable equilibrium configurations equivalent to experimental systems cooled more than 107 times slower than in conventional simulations. This paves the way for a deeper understanding of the thermodynamic, dynamic, and mechanical properties of metallic glasses. As first applications, we considerably extend configurational entropy measurements down to the experimental glass temperature, and demonstrate a qualitative change of the mechanical response of metallic glasses of increasing stability toward brittleness.