Tensile behavior of Cu-Zr-based bulk metallic glass: Atomistic insights into role of Al, Ti, and Ni

S Barman and G Banik and S Dey, JOURNAL OF MECHANICAL SCIENCE AND TECHNOLOGY, 39, 4495-4501 (2025).

DOI: 10.1007/s12206-025-0721-4

This study investigates the tensile behavior of Cu-Zr-based bulk metallic glasses (BMGs) with varying concentrations of Al, Ti, and Ni through molecular dynamics simulations. The effects of alloying composition and temperature on mechanical properties are examined. Results show that Al addition enhances Young's modulus and structural rigidity, while Ti exhibits a non-monotonic effect-initially improving mechanical properties but diminishing them at higher concentrations. In contrast, Ni consistently strengthens the alloy by enhancing atomic packing efficiency. Elevated temperatures reduce both yield strength and peak stress, with the Cu-Zr-Ti alloy showing the highest susceptibility to thermal softening. These findings offer valuable insights for the design and optimization of high-performance BMGs for structural applications.

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