Unveiling the Structural Origins of Dynamic Diversity in Pd-Based Metallic Glasses.

The ß-relaxation is one of the major dynamic behaviors in metallic glasses (MGs) and exhibits diverse features. Despite decades of efforts, the understanding of its structural origin and contribution to the overall dynamics of MG systems is still unclear. Here two palladium-based Pd─Cu─P and Pd─Ni─P MGs are reported with distinct different ß-relaxation behaviors and reveal the structural origins for the difference using the advanced X-ray photon correlation spectroscopy and absorption fine structure techniques together with the first-principles calculations. The pronounced ß-relaxation and fast atomic dynamics in the Pd─Cu─P MG mainly come from the strong mobility of Cu atoms and their locally favored structures. In contrast, the motion of Ni atoms is constrained by P atoms in the Pd─Ni─P MG, leading to the weakened ß-relaxation peak and sluggish dynamics. The correlation of atomic dynamics with microscopic structures provides a way to understand the structural origins of different dynamic behaviors as well as the nature of aging in disordered materials.

Temperature Dependences of Peak Positions in Pair Distribution Function of Metallic Liquids.

The temperature dependences of the peak positions in pair distribution functions G(r) of pure metallic zinc (Zn) and indium (In) liquids have been studied using high-energy X-ray diffraction together with ab initio molecular dynamic simulations. It has been demonstrated that the first peak positions in G(r) of both Zn and In move to small r, whereas the second peak positions exhibit opposite movements with increasing temperature, originating from different thermal responses of polyhedron connections. However, the third, above peaks in G(r) in both liquids shift to large r with the expansion coefficients smaller than the values of bulk liquids.

Intermediate Temperature Brittleness in Metallic Glasses.

All metallic glasses (MGs), irrespective of their compositions, become brittle in the intermediate temperature range of 0.6-0.7 Tg However, most materials are expected to carry higher strains during deformation with increasing temperature. This behavior of MGs is explained by describing the competition between shear banding and diffusive relaxation processes, and is reminiscent of the "intermediate temperature ductility minimum" observed in polycrystalline metals.