Glass Transition Mechanisms in Metallic Glasses: A Theoretical, Experimental, and Simulation Review

Metallic glasses, as a distinct class of amorphous metals, exhibit a unique combination of mechanical robustness, thermal stability, and electronic functionality compared to their crystalline counterparts. Despite extensive studies, the microscopic origin of the glass transition and its dependence on structural heterogeneity remain subjects of ongoing debate. Experimental methods including Differential Scanning Calorimetry (DSC), Flash DSC, Dynamic Mechanical Analysis (DMA), nanoindentation and 5D Scanning Transmission Electron Microscopy (5D-STEM) are reviewed and analyzed. In addition, molecular dynamics (MD) and potential energy simulation models are investigated to establish a relationship with experimental data. Zr-based, Pd-based alloys and high-entropy metallic glasses are compared, in which β relaxation and glass-to-glass transitions are analyzed in detail. From this study, the combination of experiment and simulation has been emphasized as a key for accurate prediction of material properties, and outlines future research directions toward the development of optimized metallic glass systems.