Predicting Complex Relaxation Processes in Metallic Glass.

Abstract

Relaxation processes significantly influence the properties of glass materials. However, understanding their specific origins is difficult; even more challenging is to forecast them theoretically. In this study, using microseconds molecular dynamics simulations together with an accurate many-body interaction potential, we predict that an Al_{90}Sm_{10} metallic glass would have complex relaxation behaviors: In addition to the main (α) relaxation, the glass (i)\xa0shows a pronounced secondary (β) relaxation at cryogenic temperatures and (ii)\xa0exhibits an anomalous relaxation process (α_{2}) accompanying α relaxation. Both of the predictions are verified by experiments. Computational simulations reveal the microscopic origins of relaxation processes: while the pronounced β relaxation is attributed to the abundance of stringlike cooperative atomic rearrangements, the anomalous α_{2} process is found to correlate with the decoupling of the faster motions of Al with slower Sm atoms. The combination of simulations and experiments represents a first glimpse of what may become a predictive routine and integral step for glass physics.