Tunable rejuvenation behavior of Zr55Cu35Al10 metallic glass at the atomic scale during recovery annealing and pressure treatment

ZX Chang and GL Yao and YQ Ge and XX Yue, MATERIALS TODAY COMMUNICATIONS, 41, 110646 (2024).

DOI: 10.1016/j.mtcomm.2024.110646

In this study, molecular dynamics (MD) simulations were employed to investigate atomic structure characteristics of Zr55Cu35Al10 metallic glasses under various annealing temperature and pressure. Following the initial formation of amorphous, the samples annealed at temperatures ranging from 800 K to 1100 K exhibited a transition from an aged state to a rejuvenated state during the subsequent heat treatment stage. In the third stage of heat treatment, increasing the pressure in samples from 0 to 50 GPa significantly enhanced the degree of rejuvenation compared to raising the temperature. Additionally, applying pressure dramatically enhanced the short-range order in the metallic glass system, altered the proportion of icosahedral cluster types, and contributed to a transformation of Voronoi polyhedrons (VPs) from low local five-fold symmetry to high local five-fold symmetry. Notably, the <0,0,12,0> VP, which represents high local five-fold symmetry, reached a peak proportion of 12.5 %, thereby strengthening the amorphous forming ability.

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